rDock on collection 9274/Array of sdfs_000000.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  217.0278  178.5183  250.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7723  178.1167  249.2604 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7764  178.1310  249.9861 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2716  179.1905  251.2138 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.0240  177.6805  249.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  1   4  -1
M  END
>  <CHROM.1>
-0.00038022,216.94224537,178.47386951,250.14345728,-1.39083182,-0.17991709
-2.11426888

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442258/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
3.62601e-08

>  <SCORE.INTRA.DIHEDRAL>
7.25201e-08

>  <SCORE.INTRA.DIHEDRAL.0>
9.13212e-08

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
9.06501e-09

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.35

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.559410

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  201.8139  209.1880  249.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7484  209.2247  250.5166 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.2333  209.0373  251.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2070  210.6347  250.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6952  208.1693  250.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8862  207.8929  251.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7535  207.5821  252.6456 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0402  207.4487  253.9028 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9806  206.9113  254.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4561  206.5012  256.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2690  205.8732  257.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6168  205.6612  256.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1583  206.0715  255.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3442  206.6919  254.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6123  204.8725  258.0492 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.3833  208.7763  254.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9885  208.8529  254.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3694  210.0535  254.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1304  211.2068  254.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5031  211.1597  254.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1312  209.9567  254.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8452  209.9945  254.1773 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
161.71267254,-53.48398893,173.99851116,171.42559181,-169.89834282,122.09451086
200.05037147,208.14006590,254.19559157,-1.98794232,-0.67201561,1.96836687

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442259/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.66661

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-1.73339

>  <SCORE.INTRA.DIHEDRAL>
1.15227

>  <SCORE.INTRA.DIHEDRAL.0>
1.64225

>  <SCORE.INTRA.POLAR>
-0.0362101

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.18641

>  <SCORE.INTRA.VDW.0>
-0.75956

>  <SCORE.INTRA.norm>
-0.0825423

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.460315

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002345

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 44 48  0  0  0  0  0  0  0  0999 V2000
  188.6794  221.1529  267.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1476  220.4210  265.8268 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.3467  219.8080  265.1671 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.1712  218.3432  264.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9693  217.1092  265.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5377  216.5276  266.7194 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.7137  215.0739  266.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0609  214.9235  265.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4346  216.0574  264.7025 N   0  5  0  0  0  0  0  0  0  0  0  0
  188.7022  213.7263  264.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4424  213.7406  263.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9493  212.5099  262.3078 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.8759  213.0760  260.8496 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.0100  214.5936  261.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7912  215.5096  260.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2049  217.0084  259.9535 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.6884  217.2312  260.2487 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.6751  218.2870  261.3724 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.2360  218.8373  261.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8028  219.8809  262.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3413  220.9373  263.3830 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.4157  221.1849  264.7044 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.2707  222.6153  265.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0670  223.1916  265.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6310  220.5008  263.9668 N   0  5  0  0  0  0  0  0  0  0  0  0
  187.4121  218.0288  260.7397 N   0  5  0  0  0  0  0  0  0  0  0  0
  190.8271  219.2769  261.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5318  217.5637  259.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5418  216.7932  258.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4873  214.8207  262.2969 N   0  5  0  0  0  0  0  0  0  0  0  0
  186.7700  212.5891  259.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6694  211.8348  262.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8735  211.0243  264.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7977  209.8480  263.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9508  209.8122  264.3856 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3003  208.8702  263.1847 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6261  214.1773  267.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9528  213.3826  267.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3556  212.4084  266.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1980  212.4921  265.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4155  211.4260  266.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2533  217.0110  267.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9394  208.1445  263.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.5883  210.8439  265.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3 25  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  6  0  0  0
  7  8  2  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  1  0  0  0
 13 14  1  0  0  0  0
 13 31  1  1  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 16 15  1  1  0  0  0
 16 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  6  0  0  0
 18 19  1  0  0  0  0
 18 27  1  6  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  2  0  0  0  0
 28 29  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 43  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 44  1  0  0  0  0
M  CHG  4   9  -1  25  -1  26  -1  30  -1
M  END
>  <CHROM.1>
-123.72575777,-72.87634943,-117.91951078,-120.45219649,-63.17911425,105.75305192
176.48399455,-63.36909012,106.52549111,174.26875280,188.60502484,215.94291779
263.70114879,1.69617001,1.56437909,-0.14310518

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442260/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.93228

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.319048

>  <SCORE.INTRA>
-9.46772

>  <SCORE.INTRA.DIHEDRAL>
-1.0734

>  <SCORE.INTRA.DIHEDRAL.0>
7.02613

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.53102

>  <SCORE.INTRA.VDW.0>
1.02126

>  <SCORE.INTRA.norm>
-0.225422

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.0936256

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002446

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  207.4240  190.9296  247.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0475  191.1155  247.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2984  190.6921  246.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9197  190.0701  245.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3058  189.8746  245.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0457  190.3147  246.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0975  189.1454  244.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5182  188.8933  243.0861 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3782  188.7369  244.4695 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2625  188.0304  243.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5068  187.6386  244.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3865  186.9012  243.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0554  186.5658  242.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8331  186.9783  241.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9465  187.7056  242.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8956  186.3781  243.9695 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.7718  189.4777  243.7723 Br  0  0  0  0  0  0  0  0  0  0  0  0
  209.6958  188.9046  245.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
13.05334848,-177.25875423,208.33892720,188.76559891,244.18934669,-2.77917418
0.28425986,-2.04792158

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442261/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56495

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.835051

>  <SCORE.INTRA.DIHEDRAL>
-4.3014

>  <SCORE.INTRA.DIHEDRAL.0>
4.97744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.31565

>  <SCORE.INTRA.VDW.0>
-0.407264

>  <SCORE.INTRA.norm>
-0.0491207

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.386173

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000174

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  218.3228  179.5239  240.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8078  180.8823  240.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8848  181.9749  240.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6139  181.8839  241.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5807  180.8013  242.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7569  179.5782  242.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4007  181.0292  243.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9796  182.2860  243.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6662  183.1103  242.3570 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.7674  183.0000  244.6971 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3870  182.3563  245.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2080  181.4483  245.6391 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9793  182.8741  247.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2646  182.3879  247.5404 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.3493  183.0748  246.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4245  182.2587  245.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7038  182.7112  244.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8932  183.9847  244.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8641  184.7687  244.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6077  184.3176  245.7409 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0943  186.1767  244.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9957  186.9833  244.2782 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.0985  186.8372  244.7968 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.4063  186.1943  242.8304 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.6918  181.7848  244.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4842  180.4920  244.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5622  179.6062  243.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8229  180.0051  242.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9824  181.2746  242.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9067  182.1571  242.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9457  179.1563  242.3269 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.6588  180.0376  244.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8983  179.1643  245.5704 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4675  183.9516  244.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <CHROM.1>
15.17696004,60.70141693,70.93797729,-56.68663055,135.34172101,0.09267461
62.34060859,218.98963918,182.39382228,243.99874130,-2.52102583,-0.57163903
0.02643115

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442262/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.70407

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-10.6959

>  <SCORE.INTRA.DIHEDRAL>
-1.20568

>  <SCORE.INTRA.DIHEDRAL.0>
6.26469

>  <SCORE.INTRA.POLAR>
-0.312478

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.03066

>  <SCORE.INTRA.VDW.0>
-1.65892

>  <SCORE.INTRA.norm>
-0.324119

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0516386

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  200.6432  205.4168  247.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0884  204.0006  247.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6670  204.0518  247.5094 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0671  202.8419  247.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6154  201.7495  247.5585 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5309  202.9943  247.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1079  204.1136  247.2233 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7771  204.3812  247.2719 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8815  203.7080  248.2455 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4265  202.4237  248.7983 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7770  201.9998  248.3710 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4642  200.9490  249.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4688  201.6015  249.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2794  201.9486  249.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7748  200.2561  250.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5076  204.6632  249.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1729  205.0888  249.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8559  205.9032  250.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8052  206.3003  251.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1246  205.9148  251.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4767  205.0869  250.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2834  207.0895  252.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8996  207.1442  252.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6188  206.3951  250.8902 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3613  205.5483  246.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2771  206.2926  245.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9011  207.4424  245.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5799  207.8727  245.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6524  207.1574  245.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0331  206.0138  246.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  1  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
179.61490075,5.07684243,27.61737474,5.43481628,113.79343668,194.71290135
204.49691275,248.57578084,-0.06192541,0.58211209,-0.59028896

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442263/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44388

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-3.95612

>  <SCORE.INTRA.DIHEDRAL>
-9.6693

>  <SCORE.INTRA.DIHEDRAL.0>
12.8958

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0279043

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.739004

>  <SCORE.INTRA.VDW.0>
-1.23554

>  <SCORE.INTRA.norm>
-0.131871

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.214796

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000306

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  248.6557  187.2070  270.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
  247.7007  188.2072  270.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
  248.5540  189.3242  269.6417 N   0  0  0  0  0  0  0  0  0  0  0  0
  249.7850  188.9092  269.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
  249.8915  187.5279  270.0163 N   0  3  0  0  0  0  0  0  0  0  0  0
  249.9665  187.0274  269.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
  250.8461  187.3112  270.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
  250.9961  189.7881  269.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  250.8683  190.6325  268.1449 N   0  0  0  0  0  0  0  0  0  0  0  0
  250.9295  189.9127  266.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  249.6742  189.1743  266.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  248.5134  189.9504  266.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
  247.2500  189.4008  266.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
  247.1283  188.0593  266.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
  248.2592  187.2425  266.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  249.5299  187.7891  266.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
  250.2417  191.8743  268.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  248.8743  192.0034  268.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
  248.2592  193.2513  268.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
  248.9966  194.4195  268.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
  250.3456  194.3331  268.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  250.9503  193.0784  268.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-44.58103243,-72.21149248,78.51227990,-67.25034951,59.74988800,249.28174289
190.05283165,268.25547806,-2.22099815,-1.21898909,-0.65083723

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442265/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.65638

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-4.74362

>  <SCORE.INTRA.DIHEDRAL>
-1.91223

>  <SCORE.INTRA.DIHEDRAL.0>
5.72728

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.7875

>  <SCORE.INTRA.VDW.0>
-1.43082

>  <SCORE.INTRA.norm>
-0.237181

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.282819

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003340

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  218.4361  185.0510  249.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9581  184.1892  250.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1618  183.2361  251.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7324  183.3644  251.2117 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8241  184.1133  251.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6150  183.8452  251.4750 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7190  182.9609  250.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9899  182.6764  250.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6370  181.5421  249.1393 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.3882  181.5976  247.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3416  182.9580  247.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8761  183.1487  246.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6229  183.9235  247.8270 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4226  185.2642  247.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7768  186.1586  248.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6632  187.5140  247.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1760  187.9834  246.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7387  187.0935  245.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8552  185.7450  246.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1689  189.3015  246.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9773  190.1477  247.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8039  189.6498  248.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0615  188.3448  248.8672 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0680  185.0107  253.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9885  185.6521  253.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0776  186.5071  254.7580 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3107  186.7627  255.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4552  186.2018  254.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3246  185.3263  253.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3370  183.6929  248.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-0.94198569,-95.74070030,-178.90865876,-155.36532825,65.62211341,101.44209078
-174.54696361,215.48940505,185.20433223,249.70171157,-0.46229233,1.13709678
-2.12188941

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442266/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.91496

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-5.48504

>  <SCORE.INTRA.DIHEDRAL>
-3.49129

>  <SCORE.INTRA.DIHEDRAL.0>
7.8493

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.339393

>  <SCORE.INTRA.VDW.0>
-2.67562

>  <SCORE.INTRA.norm>
-0.189139

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.238447

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  187.2012  215.0747  269.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8920  214.5485  270.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8262  215.3035  270.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7476  214.7147  271.3137 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.1488  213.5950  272.2067 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.7358  212.9243  271.9390 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.8174  213.9209  270.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3471  214.0629  269.5619 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8892  211.4571  271.7335 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.1467  210.7137  270.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4052  209.8028  271.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.2395  211.1089  269.3696 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.4137  210.4297  268.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3878  211.2121  268.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4733  210.6140  267.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5914  209.2296  267.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6458  208.4370  268.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5626  209.0320  268.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6332  208.6024  266.7674 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.9368  210.9606  268.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4926  209.8931  268.1977 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3073  212.1297  268.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.6647  213.2900  272.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3351  212.9857  272.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3137  212.8176  271.8223 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8022  213.0623  270.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8277  216.8039  270.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7165  217.4647  270.0232 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7320  217.3682  271.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3243  210.9478  272.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2183  209.2727  266.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.7560  212.9260  268.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.1288  216.7021  271.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 26  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  6  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  1  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <CHROM.1>
5.41295089,-143.63379601,164.42883477,-117.62955250,86.64028413,-123.32447150
-77.46410564,0.44900958,-1.00326495,-0.65067034,183.59543224,212.50463393
269.98418077,-1.40816436,-0.40291795,-2.65711489

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442267/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.54678

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-5.85322

>  <SCORE.INTRA.DIHEDRAL>
-0.881637

>  <SCORE.INTRA.DIHEDRAL.0>
5.78257

>  <SCORE.INTRA.POLAR>
-1.05172

>  <SCORE.INTRA.POLAR.0>
-0.267621

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.83654

>  <SCORE.INTRA.VDW.0>
-2.60219

>  <SCORE.INTRA.norm>
-0.201835

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.225751

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.070704

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  185.9169  203.5590  251.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1052  204.9882  251.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1829  205.3864  250.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2477  206.7125  249.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2800  207.6481  250.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2275  207.2551  251.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1385  205.9366  251.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7567  208.6228  251.6120 I   0  0  0  0  0  0  0  0  0  0  0  0
  188.1954  204.4494  250.0155 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0173  203.4054  249.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5680  203.5597  247.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6174  202.0312  249.5654 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.9042  200.9356  248.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4750  199.6426  249.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7141  199.9553  250.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5822  201.4051  250.9057 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9011  202.0277  252.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4637  201.6601  253.1812 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7789  203.0565  251.9286 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0863  203.8578  253.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9333  204.7621  253.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8659  206.0802  252.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8441  206.9451  253.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8757  206.5018  254.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9301  205.1983  254.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9530  204.3346  254.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9343  204.3201  250.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  1  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
72.91093824,51.28869224,160.09041498,155.31929780,174.33481145,-72.74506162
-93.47769810,186.68754844,205.23660818,251.46326249,0.56384790,0.84034234
-2.14738641

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442268/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.33117

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-10.0688

>  <SCORE.INTRA.DIHEDRAL>
-5.83595

>  <SCORE.INTRA.DIHEDRAL.0>
10.4339

>  <SCORE.INTRA.POLAR>
-0.115254

>  <SCORE.INTRA.POLAR.0>
-0.787388

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.75899

>  <SCORE.INTRA.VDW.0>
0.148247

>  <SCORE.INTRA.norm>
-0.387263

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0896604

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000687

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  187.5735  217.7793  249.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2381  216.3401  248.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0982  215.8928  248.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3715  215.6282  248.5657 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2037  214.2404  248.1979 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.4592  213.4404  248.5755 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6392  213.7557  247.6423 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.2836  213.4614  246.1554 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.9299  214.0302  245.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6579  214.2432  244.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4055  214.6813  243.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4032  214.9010  244.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6624  214.7126  246.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9295  214.2903  246.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3852  211.9907  245.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4421  211.5910  244.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5558  210.2668  244.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6267  209.3140  244.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5647  209.6923  245.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4308  211.0230  246.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9124  213.0191  248.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0032  213.5454  248.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6618  211.6820  248.1399 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7965  210.8844  248.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7426  213.6970  250.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5533  212.8930  250.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3254  214.9227  250.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6210  215.3324  251.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  1  0  0  0
  7  8  1  0  0  0  0
  7 21  1  1  0  0  0
  8  9  1  0  0  0  0
  8 15  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-174.87756216,-155.01911301,106.63170768,-127.80920805,-107.51551328,179.49022438
178.21161716,189.54733590,213.51446864,247.43621798,2.27320298,-0.68581535
1.02911934

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442269/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.97702

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-2.42298

>  <SCORE.INTRA.DIHEDRAL>
-5.72906

>  <SCORE.INTRA.DIHEDRAL.0>
11.068

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.000190422

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.4406

>  <SCORE.INTRA.VDW.0>
-2.37329

>  <SCORE.INTRA.norm>
-0.0865349

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.356322

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024070

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  202.5069  210.8262  256.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2591  211.5702  255.8408 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7461  211.2519  255.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1547  210.1285  255.6606 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5553  212.3072  256.3317 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1655  213.1448  255.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5859  214.3516  255.2465 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2392  215.2472  254.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4068  214.9662  253.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9299  213.6844  253.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3022  212.7572  254.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1990  216.1738  252.8481 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.5416  211.1212  254.2225 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.3725  212.2953  253.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6179  212.0695  252.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2201  213.1215  251.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5773  214.3608  251.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3327  214.4801  252.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7251  213.4834  253.0742 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1792  215.5435  251.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4507  215.9677  250.0172 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.3201  216.6192  251.9008 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.4281  215.2777  250.6089 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.4630  210.5711  252.6711 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.1202  212.1536  257.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
71.13164149,170.80441240,-91.31532388,103.26799091,87.70830113,117.48618776
205.20081036,213.35324740,253.46430100,-2.06204016,-0.52200774,-0.86810376

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442270/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06373

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-5.33627

>  <SCORE.INTRA.DIHEDRAL>
0.859825

>  <SCORE.INTRA.DIHEDRAL.0>
5.07938

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0819081

>  <SCORE.INTRA.REPUL.0>
0.0819081

>  <SCORE.INTRA.VDW>
-5.35664

>  <SCORE.INTRA.VDW.0>
-2.68795

>  <SCORE.INTRA.norm>
-0.222345

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.252655

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000256

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 59 61  0  0  0  0  0  0  0  0999 V2000
  218.7909  189.2203  248.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9900  189.9730  247.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5911  191.4565  247.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2530  189.7759  248.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9903  188.5295  248.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1908  188.4716  249.7647 P   0  0  1  0  0  0  0  0  0  0  0  0
  224.0458  187.2441  249.6628 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0547  189.7581  249.3461 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7284  188.7834  251.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5759  187.5183  251.5751 P   0  0  1  0  0  0  0  0  0  0  0  0
  222.6913  186.6127  252.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0753  188.2525  252.9505 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4235  186.2533  251.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9910  185.6295  250.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1606  185.2579  249.7259 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.0258  184.0779  250.1629 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.6753  183.6752  248.8385 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.5761  183.9917  247.8066 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7041  184.9829  248.3886 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0512  184.4858  246.5334 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9479  183.8527  245.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5035  184.5402  244.3485 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0254  185.6560  244.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7777  186.7414  244.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1209  187.7210  245.3480 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7503  187.5954  246.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0506  186.5974  247.2253 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7261  185.6571  246.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1844  186.8505  243.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.8966  184.4071  248.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2732  183.0018  250.7220 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2990  181.7407  251.3137 P   0  0  0  0  0  0  0  0  0  0  0  0
  221.2715  181.2976  252.3522 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9761  180.8466  249.9986 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3248  180.4795  251.9053 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2540  189.3790  246.4020 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.4315  190.0135  245.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0818  190.9762  246.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6922  189.3964  244.4019 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7822  189.8168  243.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3272  190.5542  242.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5864  189.6377  241.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3749  189.7116  241.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3992  188.7412  240.6816 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8860  187.7960  239.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0166  186.3412  240.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2759  186.0788  241.8005 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.4377  187.9525  246.4505 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8087  189.9417  249.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3917  188.8930  252.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.6570  187.7210  242.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.5769  185.9913  242.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.7281  185.3651  248.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.0671  181.0323  249.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.9143  180.2910  251.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.0074  188.7195  244.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.3960  188.7316  240.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.2480  186.6788  242.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.1430  187.7702  247.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  1  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  6  0  0  0
 17 18  1  0  0  0  0
 17 30  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 54  1  0  0  0  0
 35 55  1  0  0  0  0
 36 37  1  1  0  0  0
 36 48  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 56  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
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 44 45  1  0  0  0  0
 44 57  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 58  1  0  0  0  0
 48 59  1  0  0  0  0
M  END
>  <CHROM.1>
77.61806725,179.96623042,-174.59025085,-175.62992040,175.84971150,60.06169504
91.01516447,86.60902130,17.80931268,48.00419686,72.70849089,-175.61461073
-58.74628153,114.15837193,175.51388235,152.57524255,-32.39560795,87.47409336
-5.17661256,-53.89616287,-107.66350292,-67.73616504,108.13655242,-114.29704085
53.10967387,-74.22487584,221.99746391,186.71537529,247.41029125,1.62821053
1.44620942,-1.16372066

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442272/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0272476

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.529167

>  <SCORE.INTRA>
-25.4272

>  <SCORE.INTRA.DIHEDRAL>
-1.75045

>  <SCORE.INTRA.DIHEDRAL.0>
19.5765

>  <SCORE.INTRA.POLAR>
-3.68519

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.412779

>  <SCORE.INTRA.REPUL.0>
0.564511

>  <SCORE.INTRA.VDW>
-9.95847

>  <SCORE.INTRA.VDW.0>
-6.59836

>  <SCORE.INTRA.norm>
-0.529734

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
-0.000567659

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002160

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 66 68  0  0  0  0  0  0  0  0999 V2000
  214.7574  184.6500  251.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2512  184.9350  250.9993 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4374  185.6117  249.6277 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.8805  185.8723  249.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8587  184.7774  248.6116 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7887  185.7738  252.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8066  186.9973  252.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3419  184.8337  253.5544 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.4098  186.0605  254.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8583  185.9662  253.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0172  186.2392  252.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2515  186.4940  251.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3002  186.4404  252.5599 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2511  186.7928  250.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0944  188.2940  250.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9008  188.8386  250.8367 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9304  189.2853  252.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0920  188.9702  252.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1378  190.1981  252.5136 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7729  191.7137  252.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9099  191.9943  253.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0560  192.5524  252.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9919  192.0915  251.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6333  191.6711  251.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8418  191.9138  249.8458 P   0  0  1  0  0  0  0  0  0  0  0  0
  217.9361  193.2916  249.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6223  190.8245  248.9386 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3951  191.2326  250.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2976  189.6487  250.2721 P   0  0  1  0  0  0  0  0  0  0  0  0
  217.2879  188.7962  249.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4527  189.6178  251.8740 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7347  189.2638  250.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9563  189.1141  249.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8403  190.5029  248.3284 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0848  190.9910  247.5689 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.5181  192.1014  246.6877 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0787  191.6124  246.4099 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7468  190.5862  247.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0413  192.6276  246.3891 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3438  193.0373  245.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4841  193.9988  245.5577 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6598  194.2536  246.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0817  195.1888  247.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4651  195.1766  249.0785 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4162  194.2984  249.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0601  193.3779  248.7075 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6122  193.4004  247.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1354  196.1284  247.3953 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6543  193.3535  247.3595 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6486  189.9517  246.7756 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0334  190.2690  246.0350 P   0  0  0  0  0  0  0  0  0  0  0  0
  217.5171  191.6745  246.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0469  189.2552  246.7382 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9114  189.5675  244.6129 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7605  189.7871  253.7319 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8731  185.2662  247.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1971  186.2285  251.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1978  189.1777  250.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.4548  191.2016  248.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.3646  188.7006  252.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4828  196.3846  248.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5288  196.8663  246.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0303  193.3889  248.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1252  189.4238  247.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6030  188.6511  244.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.5770  190.2958  253.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5 56  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  2  0  0  0  0
 19 17  1  1  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  6  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  6  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  6  0  0  0
 34 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 50  1  6  0  0  0
 36 37  1  0  0  0  0
 36 49  1  1  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 39 47  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 47  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 48  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 48 61  1  0  0  0  0
 48 62  1  0  0  0  0
 49 63  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 51 54  1  0  0  0  0
 53 64  1  0  0  0  0
 54 65  1  0  0  0  0
 55 66  1  0  0  0  0
M  END
>  <CHROM.1>
-176.09571087,-91.08357700,172.40547391,160.58171529,-89.81257683,61.52842477
165.01264953,90.21726672,-55.61648215,87.53469287,-132.16785535,101.96002109
71.66849480,172.05058273,76.15012270,-173.72784488,-50.62036738,-83.59429620
-61.22310598,-37.44115449,176.88308749,77.13810427,-66.21458373,75.98300894
-174.28070817,-70.84026400,111.22530737,149.86237466,-11.21169272,-61.53712376
-48.70808333,216.61742606,189.93246884,249.72959372,0.65738313,0.51051650
2.98115230

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442273/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.0003

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.534545

>  <SCORE.INTRA>
-24.3997

>  <SCORE.INTRA.DIHEDRAL>
-1.92188

>  <SCORE.INTRA.DIHEDRAL.0>
24.4724

>  <SCORE.INTRA.POLAR>
-3.16703

>  <SCORE.INTRA.POLAR.0>
-1.93063

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.6709

>  <SCORE.INTRA.VDW.0>
-3.76525

>  <SCORE.INTRA.norm>
-0.443631

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
0.0909146

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.254093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  201.3545  203.6858  252.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4146  204.8546  252.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9523  205.3643  253.8246 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3156  204.8570  255.0293 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8914  205.3664  256.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3287  204.9242  257.3789 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7304  205.6201  258.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8468  206.6030  258.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7357  206.6510  256.3315 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.9452  205.5082  251.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0516  204.1650  255.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
178.38065325,-174.95079871,199.82975351,205.47419232,255.26747538,-1.21949119
-0.85472306,1.58552998

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442274/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30063

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.0993658

>  <SCORE.INTRA.DIHEDRAL>
-0.301561

>  <SCORE.INTRA.DIHEDRAL.0>
1.10046

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0514148

>  <SCORE.INTRA.VDW.0>
-0.463319

>  <SCORE.INTRA.norm>
-0.00993658

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.730063

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000407

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  209.1404  195.8448  244.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8824  196.2006  246.1082 S   0  3  1  0  0  0  0  0  0  0  0  0
  208.0749  194.6093  246.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7953  194.4496  247.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7475  195.4680  248.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2866  196.8219  248.3871 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5639  195.7814  246.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7215  195.9477  248.2017 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1416  195.8152  248.7653 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.9618  196.4098  250.1543 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.9916  197.5736  249.8499 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2703  197.2550  248.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0662  197.9321  250.9024 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1753  199.0390  251.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2887  199.0367  252.6772 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5712  197.8718  252.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5399  197.2657  253.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0094  196.1097  252.7726 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5291  195.5676  251.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5451  196.0257  250.8877 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0083  197.1968  251.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0457  197.7860  254.4198 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4841  195.3988  251.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1120  196.5884  248.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1736  196.8581  248.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6543  197.4548  248.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6939  197.7329  255.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5190  198.6381  254.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5347  195.2298  250.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9899  196.4482  248.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  8  7  1  6  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  6  0  0  0
 10 11  1  0  0  0  0
 10 23  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 13 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
174.67195063,-179.04260357,66.60149712,-68.97993846,-51.20456827,-171.58761165
-178.94840177,-75.29087142,104.78624239,-69.37891953,209.33464259,196.54961875
249.56252876,1.36826877,-0.18367708,-1.87349187

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442275/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.9469

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-9.4531

>  <SCORE.INTRA.DIHEDRAL>
-4.92154

>  <SCORE.INTRA.DIHEDRAL.0>
11.548

>  <SCORE.INTRA.POLAR>
-1.29677

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.58332

>  <SCORE.INTRA.VDW.0>
-2.67887

>  <SCORE.INTRA.norm>
-0.393879

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.164454

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013572

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  193.4627  216.0186  253.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5246  215.6684  252.4646 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9975  215.8058  252.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5166  216.8895  252.9553 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7359  216.8089  254.2341 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.5847  216.1090  255.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8273  216.5617  256.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9988  214.8830  254.8985 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9424  214.3898  252.1351 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9079  214.2049  251.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5407  212.9423  251.1644 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3669  212.2727  252.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2370  213.1570  252.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1527  212.7641  253.5294 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1620  211.4190  253.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3927  210.4999  253.3355 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4169  210.8467  252.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6581  210.0209  251.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2784  217.7841  252.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5187  214.4961  255.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7968  213.3696  254.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
121.83245982,-115.06816376,-178.82763576,193.79918530,213.98992838,253.18615468
0.72454281,-0.88048181,-0.27278054

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442276/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.06563

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-4.33437

>  <SCORE.INTRA.DIHEDRAL>
-1.69738

>  <SCORE.INTRA.DIHEDRAL.0>
4.89976

>  <SCORE.INTRA.POLAR>
-0.478661

>  <SCORE.INTRA.POLAR.0>
-0.521339

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.85824

>  <SCORE.INTRA.VDW.0>
-0.0836874

>  <SCORE.INTRA.norm>
-0.240798

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.170313

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006309

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  206.0590  197.8253  238.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5534  199.2642  238.7607 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.1668  199.8580  240.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8188  199.8781  240.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4425  200.4246  241.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4057  200.9656  242.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7446  200.9608  242.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1255  200.4133  240.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5411  200.1138  238.1194 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4725  200.4339  236.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4853  200.1797  236.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6457  201.2431  236.2274 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4894  201.3881  234.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7525  202.9138  236.9742 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.2896  202.5462  238.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7847  201.3815  238.9508 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1348  201.3454  240.2876 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8936  202.4918  240.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2002  203.6902  239.8750 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.4022  200.3050  238.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-98.62172202,99.43177533,174.17925662,71.35047616,14.86901424,206.77021430
201.19428179,238.96895797,2.37270856,0.75763379,1.34194035

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442277/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86268

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-3.53732

>  <SCORE.INTRA.DIHEDRAL>
-0.0372878

>  <SCORE.INTRA.DIHEDRAL.0>
3.03495

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.118681

>  <SCORE.INTRA.VDW.0>
-2.20214

>  <SCORE.INTRA.norm>
-0.186175

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.361193

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  187.9511  215.4296  253.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4427  215.6666  254.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9031  216.7736  253.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2517  217.6729  252.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6480  218.7881  251.6105 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0304  218.4712  251.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6168  219.5168  250.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8942  220.8632  250.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9301  218.9735  249.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6499  218.8754  250.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4242  219.2726  250.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0952  219.5431  252.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4435  219.2191  249.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0972  219.4840  250.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0968  219.3061  249.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4690  218.8832  247.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8088  218.6425  247.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7952  218.8071  248.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6411  219.5211  249.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4191  219.8238  250.8489 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.0846  220.5347  248.8218 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.8842  218.4189  249.2795 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
-21.28880088,-147.40363764,179.65360436,67.63502378,64.01255039,-0.86154151
174.21672421,-3.17902397,187.90033421,218.79177740,250.53647334,0.26371344
0.05928838,2.19885783

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442278/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.51126

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.609091

>  <SCORE.INTRA>
-4.88874

>  <SCORE.INTRA.DIHEDRAL>
-10.6014

>  <SCORE.INTRA.DIHEDRAL.0>
11.8434

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.411972

>  <SCORE.INTRA.VDW.0>
-1.49812

>  <SCORE.INTRA.norm>
-0.222215

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.386876

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.088806

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  196.0947  223.4048  256.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9860  222.4084  255.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8195  223.0362  255.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7414  221.9812  254.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5327  222.5345  253.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4336  221.4808  253.7562 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.8511  220.9706  255.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0403  219.7201  255.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5424  219.2538  256.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8474  218.0464  257.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3942  217.5629  258.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4815  217.6834  259.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4306  218.5192  260.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5115  218.6347  261.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1869  219.9738  261.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4180  220.1637  261.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0902  221.5038  261.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4393  221.8822  259.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2124  222.2818  258.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3394  221.0947  258.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1864  220.9362  258.8566 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9760  220.1922  257.7000 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4003  222.1213  252.9902 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4163  221.0924  252.6675 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4252  219.4232  257.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8486  221.6631  252.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.92376615,179.62654261,-178.99469466,62.91375212,-111.11628065,175.32047026
-173.23992123,-100.62920188,113.42164670,112.76869139,-105.98056903,-120.10223434
73.58677242,-71.66668396,116.77547706,-179.13761179,-176.33765553,191.76440366
220.73187896,257.31873281,-1.83370936,0.57019705,2.00073041

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442279/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.5858

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.85

>  <SCORE.INTRA>
-4.81424

>  <SCORE.INTRA.DIHEDRAL>
2.2732

>  <SCORE.INTRA.DIHEDRAL.0>
1.71085

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.95084

>  <SCORE.INTRA.VDW.0>
-0.455019

>  <SCORE.INTRA.norm>
-0.200593

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.649407

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  197.0777  191.7669  251.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9839  192.5701  252.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2398  193.7078  252.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5300  194.5914  251.9160 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.2744  195.0951  251.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6966  193.8209  250.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4742  192.6829  250.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6629  195.6394  252.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4674  196.7215  253.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6029  197.0928  252.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3031  197.6961  251.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2633  198.3157  251.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3852  197.4811  250.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7465  197.6812  248.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0651  196.6250  248.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5166  196.7806  246.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6309  197.9973  246.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2636  199.0691  246.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7963  198.9209  248.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6843  198.2661  250.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8945  198.9259  251.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0466  199.6801  251.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9999  199.8251  250.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7986  199.2230  249.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6520  198.4555  249.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8293  196.1064  250.3275 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4718  195.9803  249.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
69.86079141,40.30335027,65.22874246,25.09792302,157.67405848,-84.18719034
9.17313496,177.15827878,197.94052224,196.70934175,250.49847723,-2.31390126
-0.80970090,-0.97000961

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442280/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.21047

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-10.1895

>  <SCORE.INTRA.DIHEDRAL>
-7.13211

>  <SCORE.INTRA.DIHEDRAL.0>
15.7022

>  <SCORE.INTRA.POLAR>
-1.50775

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.49713

>  <SCORE.INTRA.VDW.0>
-1.3283

>  <SCORE.INTRA.norm>
-0.407581

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.0884187

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009061

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  200.5964  207.4149  247.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1161  207.4623  248.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7629  206.3116  249.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6031  206.1853  250.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0989  206.1725  249.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5247  207.3362  248.9642 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5593  208.5676  249.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3451  209.7350  249.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8105  210.1336  247.8668 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6634  210.9041  247.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1063  211.4012  248.7429 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1762  211.1378  246.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1523  212.0238  246.2438 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6696  212.1755  244.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6354  213.0489  244.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1279  213.2009  243.4307 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6655  212.4498  242.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6616  211.5744  242.6519 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1544  211.4499  243.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1613  210.5848  244.0505 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6903  210.4251  245.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8112  209.6080  245.3416 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1387  212.6153  241.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6555  211.8817  239.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1667  212.0551  238.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1455  212.9677  238.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6102  213.7029  239.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1008  213.5263  240.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1101  213.9086  245.6395 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1333  209.6855  247.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6105  208.6213  245.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5767  209.9947  244.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1212  214.8772  245.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5754  213.7367  246.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 33  1  0  0  0  0
 29 34  1  0  0  0  0
M  END
>  <CHROM.1>
-75.82052623,59.16534337,77.57480794,-172.19431129,125.97590966,179.13816382
114.81314679,199.19495411,210.60691288,245.34247866,0.29257469,1.17196788
-2.91655558

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442281/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.68367

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-3.71633

>  <SCORE.INTRA.DIHEDRAL>
0.510403

>  <SCORE.INTRA.DIHEDRAL.0>
1.91432

>  <SCORE.INTRA.POLAR>
-0.830148

>  <SCORE.INTRA.POLAR.0>
-0.108164

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14903

>  <SCORE.INTRA.VDW.0>
-0.903389

>  <SCORE.INTRA.norm>
-0.128149

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.299437

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014094

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  204.5809  188.4441  243.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3733  187.7151  244.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7920  187.9929  244.5681 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4388  187.3841  243.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6063  186.1963  243.3221 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5083  188.3348  242.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4885  189.1541  242.1277 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9043  190.0938  241.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5804  189.9181  241.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2671  188.4964  241.5252 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.9463  187.9996  242.1169 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.8223  188.2409  241.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1977  189.3574  240.9575 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2660  189.0383  239.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2105  187.8134  239.5616 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2108  187.1982  240.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5923  186.0499  240.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4326  189.9975  239.4948 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9324  190.9174  240.0127 Br  0  0  0  0  0  0  0  0  0  0  0  0
  206.9982  188.9841  244.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3614  190.8388  240.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5537  189.6427  239.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <CHROM.1>
53.50761560,-16.71310862,206.07513648,188.92604808,241.34685751,-2.93137907
-0.29416657,-0.90563255

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442290/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.70431

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.695692

>  <SCORE.INTRA.DIHEDRAL>
-1.76263

>  <SCORE.INTRA.DIHEDRAL.0>
2.41229

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.185622

>  <SCORE.INTRA.VDW.0>
-1.21934

>  <SCORE.INTRA.norm>
-0.0366153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.352858

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001319

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 21  0  0  0  0  0  0  0  0999 V2000
  217.1375  195.1618  251.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2051  195.6916  250.7646 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7636  195.3665  249.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5403  194.7418  249.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0610  194.5880  250.8085 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9057  194.3410  248.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5405  194.5820  247.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8070  195.2133  247.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4254  195.6152  248.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8607  194.1935  245.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6784  193.6205  245.7849 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5242  193.5169  244.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4714  193.0064  243.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6002  193.0355  242.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7475  193.5596  241.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8074  194.0772  242.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6384  194.0309  243.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5067  194.4688  244.7443 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
0.00208486,216.09667558,194.39795575,246.64682939,1.18624375,0.45126165,1.52319163

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442291/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37976

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-0.0202413

>  <SCORE.INTRA.DIHEDRAL>
-0.0454603

>  <SCORE.INTRA.DIHEDRAL.0>
0.0478444

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0024889

>  <SCORE.INTRA.VDW.0>
-0.306307

>  <SCORE.INTRA.norm>
-0.00112452

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.354431

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001347

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  192.5755  220.3638  256.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5949  220.5819  254.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5854  221.8946  254.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5317  222.8425  255.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5903  222.0289  252.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6429  220.9135  252.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6499  221.0871  250.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5993  222.3747  250.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5528  223.4879  251.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5552  223.3171  252.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5923  222.5888  248.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6217  221.7330  248.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-1.80947533,-1.92199179,0.32457594,192.58730164,221.93040068,252.64533407
-1.71009234,1.53882495,-1.20935918

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442292/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.6395

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.760503

>  <SCORE.INTRA.DIHEDRAL>
-2.01754

>  <SCORE.INTRA.DIHEDRAL.0>
2.03759

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.248266

>  <SCORE.INTRA.VDW.0>
2.09271

>  <SCORE.INTRA.norm>
-0.0691366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.603591

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038827

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  196.1455  217.5041  256.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4969  216.1816  257.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1184  216.1366  258.7820 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3312  214.9130  259.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8147  215.1781  260.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0304  216.9393  259.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2427  218.1319  259.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1772  218.9506  260.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8697  218.5862  259.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6293  217.4288  259.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6971  216.6118  258.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7696  219.4026  260.3626 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4269  220.7440  259.3453 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.6085  221.5825  259.5032 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2373  220.1564  258.0251 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2235  221.2702  259.9794 O   0  5  0  0  0  0  0  0  0  0  0  0
  190.8576  219.8033  261.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  1  16  -1
M  END
>  <CHROM.1>
-139.17557152,140.56738328,-104.73257138,81.72420288,-65.44693017,192.75224457
218.37677945,259.26892547,-0.34366057,0.68707914,-0.94737927

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442293/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.06931

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-2.33069

>  <SCORE.INTRA.DIHEDRAL>
0.698111

>  <SCORE.INTRA.DIHEDRAL.0>
2.28024

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.67975

>  <SCORE.INTRA.VDW.0>
0.900699

>  <SCORE.INTRA.norm>
-0.145668

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.504332

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000311

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  211.0157  182.0892  246.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9478  180.8446  246.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3269  179.6111  246.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2867  178.2915  246.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9038  178.0770  247.4292 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7002  177.3402  248.6989 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.5283  177.8737  249.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5715  175.8019  248.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8246  175.1183  248.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0833  177.8059  246.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1358  178.5963  246.3661 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-179.80947959,61.97948021,-149.73486624,143.12684863,-123.01194565,63.66732160
210.00991937,178.32434908,247.38275684,1.33586169,0.26864391,-0.35038079

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442294/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1013

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
-1.29866

>  <SCORE.INTRA.DIHEDRAL>
0.71259

>  <SCORE.INTRA.DIHEDRAL.0>
2.0043

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.65495

>  <SCORE.INTRA.VDW.0>
0.50038

>  <SCORE.INTRA.norm>
-0.11806

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.918304

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010609

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 44  0  0  0  0  0  0  0  0999 V2000
  190.5678  216.0737  249.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4081  215.4128  250.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5123  214.8406  251.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7792  214.9268  251.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9302  215.5481  249.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8241  216.1357  249.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2438  215.5741  249.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3113  215.9908  247.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4384  215.0300  249.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2862  214.4060  251.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9582  214.4345  251.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8162  214.1729  252.9259 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3717  213.7685  251.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6240  213.8635  251.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7903  214.5392  249.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7034  215.1022  249.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8746  215.6012  247.8755 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2369  216.9305  247.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3015  217.9686  247.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6762  219.2045  246.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9818  219.4481  246.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9158  218.4170  246.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5381  217.1616  247.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4515  220.4876  246.7431 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.3281  220.1370  247.5809 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1401  221.7503  246.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9206  220.3653  245.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0583  219.1442  244.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8129  217.9782  245.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0369  216.5493  244.9390 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.8415  216.7181  245.7625 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7512  216.4760  243.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9972  215.5739  245.4307 O   0  5  0  0  0  0  0  0  0  0  0  0
  199.1428  213.1570  251.7712 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.7371  212.5901  250.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7729  214.3400  252.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6359  212.1845  252.7378 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.1303  212.8395  252.7363 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0952  215.3262  247.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7133  213.2440  253.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0103  212.3297  252.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
M  CHG  2  33  -1  37  -1
M  END
>  <CHROM.1>
-65.56551433,137.99484822,95.75456931,-81.99034631,17.84028400,72.76755787
-62.36930767,179.12995923,-52.75104467,195.54130571,216.24238232,248.61806006
1.83997186,0.00682700,-0.85155197

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442295/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.82127

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.378947

>  <SCORE.INTRA>
-6.57873

>  <SCORE.INTRA.DIHEDRAL>
-0.0803939

>  <SCORE.INTRA.DIHEDRAL.0>
4.20305

>  <SCORE.INTRA.POLAR>
-1.07987

>  <SCORE.INTRA.POLAR.0>
-0.998488

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.86698

>  <SCORE.INTRA.VDW.0>
-2.6045

>  <SCORE.INTRA.norm>
-0.173124

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.205823

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000696

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  225.8209  184.2749  244.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7494  183.2541  244.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2757  181.8928  244.6722 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.2319  180.9212  244.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6607  179.5619  244.6718 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.2098  179.0171  243.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0248  179.4337  242.2743 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.8901  178.5381  241.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0773  178.5683  240.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1978  179.8476  239.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9820  180.8660  240.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.9712  182.1118  239.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6101  183.1991  239.9935 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.6965  184.0965  240.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2778  183.5983  241.9772 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.8231  184.6631  242.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8542  182.9364  240.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6170  184.1371  241.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6789  184.3317  242.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2873  185.4659  243.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.8398  186.4232  242.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.7828  186.2488  240.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.1610  185.1218  240.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0178  179.1678  245.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3612  177.6924  244.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2568  177.2754  243.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5246  175.9220  243.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9002  174.9627  244.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0107  175.3567  245.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7336  176.7130  245.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9869  181.7818  245.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.9963  179.5537  242.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
  227.9468  180.5498  240.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.9986  183.0368  242.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
170.65628276,169.53709922,111.09303536,110.67679872,226.86615061,181.19961211
242.62534919,0.64142442,1.09651369,0.52793592

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442296/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.63

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-0.769999

>  <SCORE.INTRA.DIHEDRAL>
-0.584477

>  <SCORE.INTRA.DIHEDRAL.0>
2.43593

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.477761

>  <SCORE.INTRA.VDW.0>
-2.09168

>  <SCORE.INTRA.norm>
-0.0256666

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.287667

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010601

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  221.6812  189.0334  247.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3014  188.4928  247.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1510  187.5141  246.4246 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1382  187.0579  247.7733 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8059  186.5862  248.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7891  185.0973  248.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0390  184.4072  247.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1619  184.7263  246.0774 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.2607  184.5822  246.5195 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.9167  183.0637  247.2414 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.7409  184.6884  249.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4916  185.2530  250.6300 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.6310  183.3446  249.6183 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.0424  184.9111  249.1793 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.4706  187.1759  249.3733 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.8539  186.9395  247.2924 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.2027  189.5120  247.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0574  187.3272  245.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
176.98993233,-63.57574474,-57.63835401,57.52135094,219.48565617,185.90468709
248.03051140,-1.16556613,1.25193315,2.60562015

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442297/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.699093

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-10.0991

>  <SCORE.INTRA.DIHEDRAL>
-8.23252

>  <SCORE.INTRA.DIHEDRAL.0>
9.75458

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.98283

>  <SCORE.INTRA.VDW.0>
3.65054

>  <SCORE.INTRA.norm>
-0.594064

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
-0.0411231

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017364

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  189.6144  222.0233  260.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4950  222.3519  261.6507 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9721  222.8100  262.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5367  223.3064  261.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7033  222.7334  259.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8698  223.0043  258.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7588  221.8494  260.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2377  221.4784  259.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
70.28844344,-106.15082062,-179.24404477,187.68018961,222.55976824,260.75194411
-0.75044150,-0.04285380,-1.52873493

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442298/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78653

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-1.61347

>  <SCORE.INTRA.DIHEDRAL>
0.265566

>  <SCORE.INTRA.DIHEDRAL.0>
1.34925

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.74625

>  <SCORE.INTRA.VDW.0>
1.321

>  <SCORE.INTRA.norm>
-0.230496

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.826647

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  191.9744  209.6122  258.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8850  210.3483  259.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7687  211.2262  259.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7544  211.3834  257.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8541  210.6109  256.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9635  209.7370  257.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6351  212.4293  257.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9326  213.4587  256.2683 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6377  214.6603  256.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1440  215.6842  256.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8427  215.5296  254.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3431  216.4925  254.1679 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0868  214.2776  254.2125 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7071  213.2329  254.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0163  212.1598  254.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7179  214.0787  252.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3743  213.3739  252.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6819  213.8298  251.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1416  212.3806  253.2830 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1  19  -1
M  END
>  <CHROM.1>
-119.88353233,95.63980659,-99.10760026,140.06561809,192.83901084,212.91034855
255.62710415,1.28053166,1.02851442,2.45602095

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442299/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.1911

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-0.208902

>  <SCORE.INTRA.DIHEDRAL>
-0.189495

>  <SCORE.INTRA.DIHEDRAL.0>
6.42593

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.114155

>  <SCORE.INTRA.VDW.0>
-2.25362

>  <SCORE.INTRA.norm>
-0.0109948

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.483742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.073910

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  199.0525  214.3254  259.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7510  213.5382  260.4315 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5555  212.0224  260.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4900  211.2458  260.0404 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1862  211.4406  260.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0799  212.2115  260.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8203  211.6125  260.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6568  210.2573  260.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7609  209.4886  260.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0210  210.0804  260.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4516  212.5641  261.2039 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.1575  213.9204  260.6965 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7456  213.8767  262.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0700  214.6529  262.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8047  214.3448  263.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0596  212.3740  262.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7785  211.7642  261.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3035  214.8622  260.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1544  211.6981  260.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
116.37419517,145.88739260,-5.63595985,-164.98545948,49.31544625,-69.49108945
198.92897968,212.40207926,260.94768555,0.31866292,-0.03831416,0.34844564

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442300/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.87197

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-5.52803

>  <SCORE.INTRA.DIHEDRAL>
-3.69921

>  <SCORE.INTRA.DIHEDRAL.0>
7.63992

>  <SCORE.INTRA.POLAR>
-0.902337

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.610478

>  <SCORE.INTRA.VDW.0>
1.03571

>  <SCORE.INTRA.norm>
-0.325178

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.286587

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001963

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  188.0890  207.0265  252.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1501  205.6552  252.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7374  205.1534  251.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2545  206.0079  250.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1466  207.3911  250.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5927  207.8949  251.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8454  205.4692  248.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2764  204.4216  248.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9256  203.8919  247.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1174  204.4225  246.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6831  205.4902  247.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0626  205.9922  248.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3702  202.8369  246.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0500  203.8654  248.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5371  202.6595  246.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.5736  204.5020  249.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
43.30090345,18.44312643,1.25553610,189.40856244,205.31883428,249.19801138
1.94952565,0.67719065,0.80757411

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442301/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.35016

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.0498378

>  <SCORE.INTRA.DIHEDRAL>
0.340968

>  <SCORE.INTRA.DIHEDRAL.0>
2.59286

>  <SCORE.INTRA.POLAR>
-0.0079472

>  <SCORE.INTRA.POLAR.0>
-0.359379

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.193301

>  <SCORE.INTRA.VDW.0>
-0.0519497

>  <SCORE.INTRA.norm>
-0.00355984

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.453583

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027265

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  202.4848  204.8575  253.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4579  204.2071  254.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3382  203.1038  253.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1521  203.5230  252.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3235  203.6212  251.0436 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6108  204.8775  250.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2089  205.6921  252.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2895  202.4926  250.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8783  201.4541  250.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5591  202.5265  248.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5545  203.6873  248.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8457  203.7532  246.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2771  202.6018  246.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4029  201.3961  247.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9566  201.3712  248.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8499  200.1542  249.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5852  199.9894  250.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0392  198.9936  250.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7441  200.9504  251.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6555  200.9038  252.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8230  201.8020  253.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0933  202.7616  252.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1368  202.7950  251.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9228  201.8678  250.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1088  203.8885  253.4303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.5305  199.7752  253.5651 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.5027  199.3603  248.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
37.02457094,38.17799580,-150.92422522,-169.45564199,202.48270079,202.35830623
251.16480447,-2.78294334,-1.20500995,-2.92503317

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442302/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.33627

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-5.06373

>  <SCORE.INTRA.DIHEDRAL>
-5.57663

>  <SCORE.INTRA.DIHEDRAL.0>
11.5385

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27541

>  <SCORE.INTRA.VDW.0>
-3.15259

>  <SCORE.INTRA.norm>
-0.194759

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.16678

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000473

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  193.8888  203.6309  252.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5092  203.8478  251.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9224  202.3488  252.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2447  203.5267  250.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5153  205.4402  252.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0693  206.7383  253.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8391  207.2590  254.5980 C   0  5  0  0  0  0  0  0  0  0  0  0
  198.0023  206.4137  254.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8852  205.4699  253.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2718  206.4504  255.9511 Si  0  0  0  0  0  0  0  0  0  0  0  0
  199.5034  207.9799  257.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4110  205.2481  256.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0142  205.8527  255.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0892  208.6475  256.0401 Si  0  0  0  0  0  0  0  0  0  0  0  0
  194.3141  209.5037  256.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6998  207.7675  257.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1069  210.1560  256.6237 C   0  5  0  0  0  0  0  0  0  0  0  0
  197.0869  210.6637  257.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9939  211.7145  258.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5239  211.9011  256.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9649  210.9875  255.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4062  210.9750  254.0943 Si  0  0  0  0  0  0  0  0  0  0  0  0
  199.5187  209.5609  253.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8560  210.5999  253.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3989  212.4806  253.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3758  212.5000  259.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6522  211.8804  259.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6686  213.9829  258.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2416  212.4522  260.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  CHG  2   7  -1  17  -1
M  END
>  <CHROM.1>
-10.02983387,-4.34236269,-25.86550895,-144.49196314,95.15768481,-72.98440360
197.53303273,208.49352897,255.46435002,2.21278892,1.18423950,-3.13173379

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442303/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.40931

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-2.99069

>  <SCORE.INTRA.DIHEDRAL>
-0.924974

>  <SCORE.INTRA.DIHEDRAL.0>
6.30842

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.52821

>  <SCORE.INTRA.VDW.0>
-0.986394

>  <SCORE.INTRA.norm>
-0.103127

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.289976

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000493

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  216.5621  182.5105  240.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7020  181.8169  240.6733 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4834  182.4846  241.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0475  181.7107  242.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9105  182.2773  243.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2754  183.6354  243.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6715  184.3893  242.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7879  183.8351  241.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3452  184.1934  244.4655 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.5048  184.9030  243.6896 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.6323  185.5361  244.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6497  184.5600  245.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2175  183.5938  244.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1153  182.9058  243.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1982  183.9492  242.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0356  184.0394  241.5072 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8240  184.9948  245.6202 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0764  186.2185  245.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4677  186.9549  246.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7344  186.0018  247.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7116  184.9357  247.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2458  184.1495  246.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  6  0  0  0
  9 17  1  0  0  0  0
 10  9  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
144.36064011,125.51121886,178.75001679,-61.03376283,220.77628168,184.07708458
243.85121413,2.30208447,-0.02576777,-2.07658482

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442304/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.70728

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-0.692721

>  <SCORE.INTRA.DIHEDRAL>
1.26863

>  <SCORE.INTRA.DIHEDRAL.0>
1.83071

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.32704

>  <SCORE.INTRA.VDW.0>
-0.465622

>  <SCORE.INTRA.norm>
-0.0314873

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.395785

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000215

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  201.4296  203.5076  248.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0996  202.5672  249.4936 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3386  201.9198  248.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2610  200.5681  248.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3459  199.9273  247.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5173  200.6367  247.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6205  201.9736  248.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5323  202.6152  248.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5607  200.0224  247.1069 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.3833  203.2453  250.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2580  202.7076  251.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6364  203.0113  251.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5234  202.2448  252.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0232  201.1955  253.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6509  200.9950  253.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7918  201.7427  252.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0932  200.1480  254.3374 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.4231  200.7077  254.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4127  199.8161  255.5719 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1422  198.7258  253.4051 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3706  198.8489  251.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0522  199.1355  251.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9683  198.1113  251.5515 N   0  3  1  0  0  0  0  0  0  0  0  0
  204.2382  197.2274  251.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8329  197.8319  253.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1968  197.6357  253.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6363  198.5178  250.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2075  204.1475  251.0465 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.4486  205.0501  250.6663 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4405  204.1645  250.8967 O   0  5  0  0  0  0  0  0  0  0  0  0
  201.6068  203.7750  251.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 25 26  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  3  23   1  28   1  30  -1
M  END
>  <CHROM.1>
-105.05233399,-164.97798707,92.50652271,9.12804697,46.59340019,204.66908337
201.03447047,251.30813412,3.07695013,1.30278270,-2.51660135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442305/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.67678

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-5.72322

>  <SCORE.INTRA.DIHEDRAL>
-2.65355

>  <SCORE.INTRA.DIHEDRAL.0>
6.4137

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.39644

>  <SCORE.INTRA.VDW.0>
-1.61448

>  <SCORE.INTRA.norm>
-0.197352

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.161268

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  209.4635  207.5935  245.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0654  207.6153  245.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3177  207.4279  246.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3864  208.3480  246.6358 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6673  208.1549  247.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8316  207.1572  248.5803 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7666  206.2806  248.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5612  206.3740  247.2013 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9602  205.2064  249.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7031  209.0975  248.0223 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6543  205.4244  250.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.8830  204.8139  248.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9213  209.9777  247.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5073  209.1100  249.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <CHROM.1>
127.78608345,-22.50020037,-24.52171477,206.89508570,207.33334232,247.27434124
-0.46389182,-0.61983027,2.41583796

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442306/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.96622

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-0.433777

>  <SCORE.INTRA.DIHEDRAL>
2.23044

>  <SCORE.INTRA.DIHEDRAL.0>
1.70625

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.54899

>  <SCORE.INTRA.VDW.0>
1.95974

>  <SCORE.INTRA.norm>
-0.0433777

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.796622

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000241

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  226.4043  185.9423  253.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7436  185.1916  252.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7843  185.8789  251.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8835  185.8273  250.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9508  186.4992  249.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8812  187.2025  249.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7953  187.2448  251.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7346  186.5872  252.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9748  187.8482  248.9754 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0542  188.4420  249.5818 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0457  188.9121  248.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6854  188.1352  247.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7849  188.6620  246.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1232  189.8750  246.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4910  190.6416  247.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4341  190.1645  248.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2962  190.4230  245.8626 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3806  186.9472  247.2516 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7097  190.4216  244.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.3540  190.0474  245.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.2567  186.8750  247.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.8131  186.1106  247.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <CHROM.1>
128.92197009,179.69896304,36.71310222,-13.85080385,-46.56609976,221.71972532
187.76899943,249.30910597,0.20193088,-0.70969836,0.97078194

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442307/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30236

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-3.09764

>  <SCORE.INTRA.DIHEDRAL>
0.715695

>  <SCORE.INTRA.DIHEDRAL.0>
5.48579

>  <SCORE.INTRA.POLAR>
-0.645731

>  <SCORE.INTRA.POLAR.0>
-0.00881228

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.26

>  <SCORE.INTRA.VDW.0>
2.26503

>  <SCORE.INTRA.norm>
-0.172091

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.405686

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000100

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  206.6892  191.4683  244.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6398  190.7195  244.6595 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5529  189.6699  243.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6023  188.8958  243.7622 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5852  189.4848  242.8984 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7053  190.2589  242.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8275  191.2980  243.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3885  192.5948  243.7612 I   0  0  0  0  0  0  0  0  0  0  0  0
  208.6375  189.9169  241.8533 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4479  188.7227  242.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5273  189.6246  242.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.7513  190.6234  241.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
-115.25892342,208.11208859,191.46046634,243.61955417,2.64486946,-0.47588079
-2.40692896

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442308/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.08247

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.317527

>  <SCORE.INTRA.DIHEDRAL>
0.00289678

>  <SCORE.INTRA.DIHEDRAL.0>
0.477094

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.318976

>  <SCORE.INTRA.VDW.0>
-0.296903

>  <SCORE.INTRA.norm>
-0.0352808

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.67583

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000459

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  216.9495  175.1901  241.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5069  175.6652  241.7776 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.5571  176.9600  242.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5988  178.0341  243.2314 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7514  175.8379  240.5247 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7034  174.9748  240.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3617  174.0495  240.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9875  175.2067  238.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8519  174.4423  238.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1857  174.6349  237.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6667  175.5755  236.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7979  176.3379  236.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4519  176.1706  238.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6320  176.9608  238.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2069  176.7898  239.6486 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2840  178.0464  237.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2853  178.6484  238.1087 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7511  178.2587  236.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  3  0  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
111.43445552,179.37303883,214.25156410,176.23420623,239.32942270,0.72095464
0.72260868,2.07925717

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442309/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.43967

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-2.96033

>  <SCORE.INTRA.DIHEDRAL>
-4.2732

>  <SCORE.INTRA.DIHEDRAL.0>
6.77626

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.823733

>  <SCORE.INTRA.VDW.0>
0.244643

>  <SCORE.INTRA.norm>
-0.164463

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.246648

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012429

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  211.1828  185.2370  242.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0799  186.2289  242.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3705  187.5550  243.1643 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2121  187.0998  244.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8067  185.8899  244.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2892  185.8981  244.3495 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.9891  187.1883  244.9706 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3912  188.3035  244.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7445  187.5397  246.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1870  186.4519  247.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5665  185.5188  248.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0090  184.4310  249.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9950  183.0591  248.7709 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6901  182.4825  248.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0352  181.2574  247.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1922  181.7525  246.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9462  182.6979  247.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4132  187.1813  244.8031 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0011  184.5871  244.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3254  186.4002  241.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8065  186.4758  245.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  7 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
59.74641449,-67.48131555,-87.66186719,-120.47784443,-67.18477589,212.84170847
185.31454532,245.60161600,2.53789188,-1.22526940,0.06144776

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442310/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71613

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-1.68387

>  <SCORE.INTRA.DIHEDRAL>
-1.60975

>  <SCORE.INTRA.DIHEDRAL.0>
1.92909

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.878992

>  <SCORE.INTRA.VDW.0>
-1.08818

>  <SCORE.INTRA.norm>
-0.0841935

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.385807

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000613

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  204.8512  190.4629  248.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6488  191.2119  246.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0264  192.4038  246.9505 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8093  192.7517  245.6568 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5212  191.9103  244.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9965  190.8439  245.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6081  189.6157  244.9588 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0683  189.7702  244.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7416  190.7345  243.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0375  190.4375  243.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6318  189.1932  243.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9761  188.2453  244.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7123  188.5641  244.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8785  187.7512  245.6670 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6189  188.3310  245.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6987  187.8565  246.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9553  189.2519  243.7244 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6806  192.1335  243.4662 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0051  193.8632  245.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3582  194.6273  246.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3674  195.5403  245.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0509  195.7323  244.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7785  195.0678  243.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7750  194.1453  243.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1120  186.8483  246.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9482  190.0731  243.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.9094  191.9717  242.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.2972  192.8855  243.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-2.16017329,-74.91094989,-103.52013687,50.49059721,205.06094509,191.22149577
245.10733675,0.53540276,-0.65746196,2.40586400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442311/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.72826

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-3.67174

>  <SCORE.INTRA.DIHEDRAL>
-3.22669

>  <SCORE.INTRA.DIHEDRAL.0>
4.8232

>  <SCORE.INTRA.POLAR>
-0.721099

>  <SCORE.INTRA.POLAR.0>
-0.0716815

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.393337

>  <SCORE.INTRA.VDW.0>
-2.70112

>  <SCORE.INTRA.norm>
-0.152989

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.197011

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  184.9572  208.9461  255.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3180  209.6196  255.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3131  210.8684  256.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6962  211.4989  256.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7263  212.6476  257.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3727  211.8444  255.8623 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7563  212.2460  255.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.2553  212.6204  256.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <CHROM.1>
174.51119469,-173.99353161,-71.61575070,186.37655886,210.93725238,256.25011200
-2.19175449,-0.40426611,0.27247067

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442312/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30636

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.4

>  <SCORE.INTRA>
-1.09364

>  <SCORE.INTRA.DIHEDRAL>
0.31146

>  <SCORE.INTRA.DIHEDRAL.0>
0.288587

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.24937

>  <SCORE.INTRA.VDW.0>
1.42084

>  <SCORE.INTRA.norm>
-0.182273

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.21773

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.053751

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  188.9203  213.7195  257.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7340  212.9494  258.1542 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9640  213.3041  259.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2108  214.2308  259.9694 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7375  212.4647  259.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6539  211.1237  259.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7483  210.1949  258.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0555  210.5105  259.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0884  209.5928  259.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8215  208.3597  258.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5278  208.0547  258.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4928  208.9732  258.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5439  213.1787  259.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5432  213.7077  259.9058 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <CHROM.1>
0.78820088,43.49139071,27.71020263,186.97240797,211.54099871,258.94721560
-2.03288769,-0.22356622,-3.05108224

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442313/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10605

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.29395

>  <SCORE.INTRA.DIHEDRAL>
-6.29515

>  <SCORE.INTRA.DIHEDRAL.0>
13.9372

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.853623

>  <SCORE.INTRA.VDW.0>
0.0315656

>  <SCORE.INTRA.norm>
-0.163854

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.436146

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.099381

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  179.9733  211.7176  252.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0408  211.5039  250.7404 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.0803  210.4670  250.3571 C   0  0  2  0  0  0  0  0  0  0  0  0
  180.8467  209.0678  250.9785 C   0  0  1  0  0  0  0  0  0  0  0  0
  179.3149  208.6422  250.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2474  209.7612  250.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8638  210.8939  250.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.7091  210.9237  248.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6176  211.4910  247.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4015  211.3537  246.4194 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.6662  212.1671  248.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.5448  212.7023  247.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6709  213.4819  247.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1556  214.5803  248.6877 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.0637  214.9039  249.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8643  215.7637  247.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8828  208.0399  250.3142 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.9567  206.7314  251.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1977  205.8896  250.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4503  206.7055  251.0874 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.5980  207.8747  250.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3446  208.7586  250.3396 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.4103  210.1065  249.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4874  210.9733  250.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8598  211.9565  251.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9146  208.6310  250.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7273  207.4622  248.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6074  205.8780  251.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.3415  207.6206  248.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5124  205.2642  251.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3 24  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  6  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
174.05431760,179.50291750,178.34406783,-58.67904216,153.70751801,-62.18528706
181.90101782,210.22896580,249.71413883,1.99809912,0.02657252,-0.32644399

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442330/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.5714

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-6.8286

>  <SCORE.INTRA.DIHEDRAL>
-11.8162

>  <SCORE.INTRA.DIHEDRAL.0>
12.983

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.920524

>  <SCORE.INTRA.VDW.0>
0.137106

>  <SCORE.INTRA.norm>
-0.235469

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.123152

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009968

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  205.7409  202.8671  252.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6451  204.1168  251.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8822  205.1374  252.2538 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9185  205.4997  251.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9536  205.8499  251.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5231  201.7728  251.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5818  200.6815  252.5012 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87620778,-179.90156870,-121.30960699,205.22769080,203.56354675,251.90068529
-0.95757272,-0.36675564,0.07486908

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442331/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.96455

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-1.43545

>  <SCORE.INTRA.DIHEDRAL>
-2.39723

>  <SCORE.INTRA.DIHEDRAL.0>
2.40015

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.236833

>  <SCORE.INTRA.VDW.0>
-0.0775209

>  <SCORE.INTRA.norm>
-0.205064

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.994936

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021953

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  205.9274  210.4218  250.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7504  209.4004  251.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1553  208.0804  251.3586 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3722  207.5087  252.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1211  206.2581  251.9882 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6686  206.0265  250.7496 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3039  207.1136  250.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2368  207.2977  248.9475 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.4913  206.0620  247.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0930  206.5014  247.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9048  207.0930  246.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1272  206.2262  248.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7463  206.4971  248.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9183  206.2586  249.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5682  206.5304  249.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0323  207.0091  248.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8112  207.2459  246.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1784  206.9818  247.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6890  207.2008  248.1608 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4282  206.7475  249.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6227  206.3721  250.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8620  208.1232  253.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0236  207.3853  254.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4449  207.9614  255.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7085  209.2980  255.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5144  210.0546  255.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0848  209.4647  253.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9257  210.0989  257.3013 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.7718  211.2066  257.6946 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5323  210.3159  256.9453 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0024  208.9107  258.5319 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3371  208.3413  258.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2579  206.8502  259.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9236  206.5617  260.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5400  207.0350  261.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4113  208.5512  260.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0241  209.0955  259.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4489  205.9115  249.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 37  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
-97.84608375,176.96055141,-157.03128262,69.16385644,96.60327263,-174.82050435
156.35723607,53.36275905,203.60654997,207.87219291,252.88347428,-1.55226371
0.08964602,1.39397090

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442333/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.91655

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.362162

>  <SCORE.INTRA>
-5.48345

>  <SCORE.INTRA.DIHEDRAL>
-5.77608

>  <SCORE.INTRA.DIHEDRAL.0>
11.6328

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.80459

>  <SCORE.INTRA.VDW.0>
-4.74918

>  <SCORE.INTRA.norm>
-0.148201

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.213961

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  200.6829  210.0594  251.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0887  208.7155  251.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9845  208.1572  250.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3882  206.8096  249.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2805  206.2637  248.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6832  204.9165  248.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5741  204.3729  247.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9796  203.0277  246.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8708  202.4852  245.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2768  201.1391  245.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1680  200.5945  244.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5756  199.2497  243.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4608  198.6958  243.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8680  197.3510  242.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7542  196.7960  241.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1518  195.4497  241.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0437  194.9016  240.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.96763935,-179.93281523,-179.92340837,179.99189045,179.99956941,-179.98276362
-179.91304723,179.92969724,179.87363118,179.46527840,179.83990942,-179.91034240
179.97384520,-179.94039095,198.22234239,202.29480906,246.05261631,1.25725972
-0.41124174,0.52794412

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442334/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
19.4006

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14118

>  <SCORE.INTRA>
0.000583681

>  <SCORE.INTRA.DIHEDRAL>
0.00116979

>  <SCORE.INTRA.DIHEDRAL.0>
0.000357351

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21591e-06

>  <SCORE.INTRA.VDW.0>
-1.99439

>  <SCORE.INTRA.norm>
3.43342e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
1.14121

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018299

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 61 65  0  0  0  0  0  0  0  0999 V2000
  213.9659  184.5111  249.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3258  184.5903  250.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0188  183.4315  250.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2628  183.4963  251.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8061  184.7235  251.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1605  184.5311  252.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1933  183.0508  252.5288 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.2134  182.3921  251.5346 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5904  182.4678  252.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2413  181.8808  253.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5517  181.7349  254.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2057  181.1493  255.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5160  181.0033  257.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3284  181.4284  257.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6260  180.6408  255.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2413  181.8808  253.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5176  181.4260  253.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1435  181.5331  252.0828 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.5523  182.0957  251.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2937  182.5753  251.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2668  180.0804  251.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4088  182.3349  252.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2467  181.6328  253.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6362  182.2481  253.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5112  181.4676  254.4002 C   0  0  1  0  0  0  0  0  0  0  0  0
  228.8952  181.2868  253.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6240  182.2306  255.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2697  182.2565  256.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3911  182.9860  257.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0044  183.3393  258.2401 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.0806  183.6679  259.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4755  184.5449  257.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6930  184.0747  256.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4108  185.2589  255.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3186  184.8880  254.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9583  185.0840  255.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4261  185.7759  253.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1062  185.8943  251.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8649  185.8239  250.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0793  187.0685  250.2243 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6246  188.2505  251.0296 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.1528  188.2652  250.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6732  187.0830  251.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2354  188.1124  252.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0457  189.5493  250.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3089  189.6416  248.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7495  190.9506  248.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2099  191.1514  247.0307 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.1440  191.9114  246.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5058  191.9457  247.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6267  191.0937  247.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8881  191.9325  247.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9270  191.1693  248.5231 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.2718  191.8681  248.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5040  191.1243  249.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2568  190.0120  250.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8041  189.9405  252.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5481  188.8203  252.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9453  189.2930  253.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7964  188.4323  254.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4148  182.0807  250.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 39  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 61  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  7  6  1  6  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  6  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 44  1  1  0  0  0
 41 45  1  0  0  0  0
 42 43  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  6  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  1  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
M  END
>  <CHROM.1>
57.55828067,167.34867436,-175.03910314,138.30715669,67.22389433,178.43942650
165.02098970,162.66379186,91.09505078,-168.39505558,-164.13333650,83.52448055
-54.01345459,-179.10506678,170.68309842,148.23558676,69.05968451,-174.20319540
169.51561099,168.38260474,161.49043801,-178.36016833,179.50641954,79.02143811
220.31154130,185.35927316,252.40867468,2.34052940,-0.39890630,-0.34303058

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442335/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
19.3837

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.481967

>  <SCORE.INTRA>
-10.0163

>  <SCORE.INTRA.DIHEDRAL>
23.7095

>  <SCORE.INTRA.DIHEDRAL.0>
0.242419

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-21.871

>  <SCORE.INTRA.VDW.0>
17.7542

>  <SCORE.INTRA.norm>
-0.164201

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
61

>  <SCORE.norm>
0.317766

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046459

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  197.7225  208.4668  247.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9463  209.0107  247.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9622  208.3657  247.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7467  210.3128  248.0955 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8462  210.9562  248.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5243  212.4182  249.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3816  212.4855  249.9752 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1830  212.8824  249.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3222  213.4343  248.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2690  214.1550  248.5631 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4613  214.7803  249.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0898  214.0906  249.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2069  212.6915  249.9054 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0469  211.9902  249.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9322  212.4531  249.7402 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3052  210.5535  250.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8873  212.9608  247.0600 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.2066  212.7565  251.2238 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6307  211.8983  247.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1921  212.2807  251.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.29442580,179.70721504,60.56635598,-109.21320001,-155.63624586,0.87670928
20.64622829,-112.64569179,60.55739968,179.89148353,0.72191734,196.20493020
212.00640030,249.06814057,0.45513016,-0.16431794,-2.89704891

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442336/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59783

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.911111

>  <SCORE.INTRA>
-11.8022

>  <SCORE.INTRA.DIHEDRAL>
-4.03779

>  <SCORE.INTRA.DIHEDRAL.0>
6.88445

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.38328

>  <SCORE.INTRA.VDW.0>
4.59771

>  <SCORE.INTRA.norm>
-0.655676

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.255435

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001457

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  197.5197  215.4601  246.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5771  214.3225  245.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7300  213.7311  245.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3223  214.4008  246.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6127  215.4940  247.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5042  213.9701  247.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1133  212.8130  246.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5098  212.1216  245.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2903  212.5927  245.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0748  210.9122  245.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4380  210.3621  244.2443 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0209  209.2666  243.6730 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4897  208.6270  242.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1504  207.7418  242.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1930  209.0693  242.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3966  208.6771  241.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2618  209.5030  241.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3011  210.3590  242.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4700  210.0638  242.7048 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7052  207.3841  239.7346 Br  0  0  0  0  0  0  0  0  0  0  0  0
  202.3449  212.3459  247.6095 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.8254  213.0595  248.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8362  211.2710  247.2487 O   0  5  0  0  0  0  0  0  0  0  0  0
  201.9459  208.9601  243.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7781  210.6069  243.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
-179.83889624,-175.81117653,179.45279468,199.61597797,210.77239608,243.86050805
1.38580477,-0.53383670,0.75643446

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442337/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.47985

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-2.92015

>  <SCORE.INTRA.DIHEDRAL>
-5.53739

>  <SCORE.INTRA.DIHEDRAL.0>
5.58205

>  <SCORE.INTRA.POLAR>
-0.179533

>  <SCORE.INTRA.POLAR.0>
-0.247651

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.458955

>  <SCORE.INTRA.VDW.0>
-1.15805

>  <SCORE.INTRA.norm>
-0.126963

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.238254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  225.9288  178.2279  246.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4926  178.3884  245.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0600  177.2523  244.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9981  176.1467  245.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.6366  177.5606  243.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8243  176.6002  242.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4889  176.8784  240.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9651  178.1197  240.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8017  179.0913  241.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1394  178.8269  242.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8975  179.8506  243.7837 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0786  179.6799  244.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2116  178.8398  245.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4759  180.6576  245.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5209  181.3215  245.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8416  180.7970  244.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8431  181.0830  243.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.4872  182.4701  246.1968 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  222.8366  180.6577  247.1346 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2015  179.7505  248.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7076  178.4375  248.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1123  177.5741  249.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0082  178.0302  250.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4272  179.3615  250.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0109  180.2192  249.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6558  176.8963  251.4129 S   0  0  0  0  0  0  0  0  0  0  0  0
  225.2492  177.6329  252.5032 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7095  175.8247  251.6182 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.9323  176.2320  250.5469 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8229  180.5709  246.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.5878  175.7166  249.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.6300  176.9435  250.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <CHROM.1>
1.19030308,146.49010034,-56.21621118,81.91669212,-83.64172751,-164.48071611
-64.24167459,224.39727427,178.76892918,246.50685499,-0.87103059,1.56706703
-2.08476197

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442338/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.49896

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-2.90104

>  <SCORE.INTRA.DIHEDRAL>
-0.573274

>  <SCORE.INTRA.DIHEDRAL.0>
6.7925

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.61441

>  <SCORE.INTRA.VDW.0>
-2.3423

>  <SCORE.INTRA.norm>
-0.100036

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.32755

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000479

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  226.8993  195.6974  240.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2718  194.3631  239.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6257  193.7106  241.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2493  194.5348  238.6362 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.9021  194.9799  237.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6152  193.2578  238.3826 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4765  193.2843  237.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9158  194.2829  237.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9346  191.9125  237.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7317  191.7882  236.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1401  190.5358  236.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7581  189.3949  237.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9694  189.5014  237.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5555  190.7604  237.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1233  188.0803  236.8788 N   0  3  0  0  0  0  0  0  0  0  0  0
  220.0477  188.0343  236.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6991  187.0966  237.3648 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
>  <CHROM.1>
66.43375841,164.45791826,-2.65899778,178.20130016,223.42106883,191.84117561
237.90396917,-0.65475212,0.77238282,2.77246049

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442339/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30148

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-2.09852

>  <SCORE.INTRA.DIHEDRAL>
-5.9264

>  <SCORE.INTRA.DIHEDRAL.0>
7.29427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.864679

>  <SCORE.INTRA.VDW.0>
1.29173

>  <SCORE.INTRA.norm>
-0.123442

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.429499

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  199.0904  223.2796  248.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4926  223.2665  249.9928 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2920  223.5886  251.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8669  223.0893  252.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5868  223.3602  253.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7391  224.1425  253.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1816  224.6498  252.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4517  224.3631  250.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3955  225.5371  252.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9861  226.9782  251.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1849  227.5266  252.9236 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.8635  226.7676  253.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7745  228.1376  253.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9976  228.3272  252.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9565  227.4841  251.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7500  227.5372  250.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7588  226.7484  249.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9665  225.9067  250.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1617  225.8494  252.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1494  226.6365  252.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3620  226.5636  253.9146 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CHROM.1>
-156.47004022,-108.11864755,65.00968112,-15.21497676,67.32767319,-106.41619121
199.44751174,225.53662805,251.74330811,-1.97962046,-0.51183892,0.33831636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442340/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.75977

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.64023

>  <SCORE.INTRA.DIHEDRAL>
3.84993

>  <SCORE.INTRA.DIHEDRAL.0>
1.52601

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.56519

>  <SCORE.INTRA.VDW.0>
1.10878

>  <SCORE.INTRA.norm>
-0.138959

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.461041

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000182

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 55  0  0  0  0  0  0  0  0999 V2000
  230.0498  178.2532  250.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2500  177.1703  250.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8568  177.0508  250.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0700  175.9255  250.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6379  175.9004  250.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8498  174.8226  251.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7314  175.0687  251.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9490  173.9855  252.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5535  173.8798  251.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7990  172.7260  252.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5050  172.4990  251.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3251  172.5654  252.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0407  172.3413  251.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2134  173.6223  251.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9207  173.3810  250.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1193  174.6804  250.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8935  174.4826  249.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1802  175.7773  249.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8563  176.7955  248.8954 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6378  176.6281  247.4875 P   0  0  1  0  0  0  0  0  0  0  0  0
  212.7174  176.6375  246.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0321  178.1619  247.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1259  176.2373  247.1975 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4512  174.7630  247.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9601  174.8207  246.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7042  173.5235  246.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7323  173.3917  247.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1177  174.5695  248.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4118  175.1164  248.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8440  176.1350  249.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9124  176.6700  250.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5862  176.1745  250.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1976  175.1325  249.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3667  176.8404  251.4782 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.2145  177.6408  251.3724 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2775  176.5347  249.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9913  175.9488  248.5714 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7778  177.5282  250.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3827  172.0530  247.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0336  170.9032  247.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7330  169.6735  247.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8170  169.6069  248.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1606  170.7488  249.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4496  171.9405  248.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5142  170.7642  250.0895 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.5685  168.4785  248.4630 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2938  168.5910  246.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4438  168.8246  245.5940 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8596  167.3687  246.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2786  178.6582  248.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6231  177.5979  252.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.2007  177.9691  250.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.2965  167.7658  247.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5753  166.6598  245.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  6  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 36  1  0  0  0  0
 31 32  1  0  0  0  0
 31 35  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 51  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 52  1  0  0  0  0
 39 44  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 47  1  0  0  0  0
 42 43  1  0  0  0  0
 42 46  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 46 53  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 54  1  0  0  0  0
M  END
>  <CHROM.1>
177.63410907,174.81279391,-178.62455603,121.35418281,-116.89321328,177.24261715
-172.26012131,-121.69345526,-112.78294536,177.97175752,-176.49839249,174.97044532
-173.49739109,58.78708584,53.86897671,78.49284872,-51.72015088,83.28023048
179.01056208,169.45957974,-119.21363443,-121.49868046,2.21583875,-3.70185212
-153.69254289,-0.06721118,4.29114557,4.61230537,179.96603421,219.44796420
174.21483628,249.42650850,0.03521267,-0.16952323,0.26848091

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442341/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.93094

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-35.3309

>  <SCORE.INTRA.DIHEDRAL>
-35.7087

>  <SCORE.INTRA.DIHEDRAL.0>
49.5555

>  <SCORE.INTRA.POLAR>
-1.43923

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.5832

>  <SCORE.INTRA.VDW.0>
0.0173908

>  <SCORE.INTRA.norm>
-0.72104

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
49

>  <SCORE.norm>
-0.12104

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.250880

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 46  0  0  0  0  0  0  0  0999 V2000
  194.1230  213.7315  252.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3012  212.6968  251.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3196  211.7202  251.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6449  210.5302  250.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9942  210.3171  250.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8557  211.3953  249.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5187  212.5924  250.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5773  209.0786  250.5816 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0556  208.4795  251.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3960  208.9978  252.6707 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3665  207.0531  251.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2556  206.1864  251.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3436  204.9812  251.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5189  204.6321  250.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6670  205.4538  250.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6132  206.6808  251.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5238  207.8008  251.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6306  208.2708  251.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3097  209.4865  251.4889 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4864  209.8297  250.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2895  209.1960  249.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8075  209.3702  249.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7408  210.0785  250.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7992  210.7727  249.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0036  210.6959  248.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1532  209.9197  247.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0448  209.3054  248.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0297  208.8684  247.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8180  209.1512  247.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5563  209.7844  248.7819 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8021  211.1810  249.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3318  212.2708  248.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9497  213.2849  249.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9346  213.2826  250.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2842  212.2678  251.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7836  211.1787  250.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6475  208.4916  246.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8341  208.7209  250.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3290  209.0204  248.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8500  210.2476  251.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 38  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 36  1  0  0  0  0
 20 21  2  0  0  0  0
 21 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 37  1  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <CHROM.1>
-30.62832812,17.11861416,198.56630906,209.67116407,250.12682673,2.95185413
-0.30397076,-3.06581793

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442342/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30403

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.189744

>  <SCORE.INTRA>
-0.0959698

>  <SCORE.INTRA.DIHEDRAL>
0.0142785

>  <SCORE.INTRA.DIHEDRAL.0>
12.4753

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00600069

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.133113

>  <SCORE.INTRA.VDW.0>
-1.17285

>  <SCORE.INTRA.norm>
-0.00246076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.187283

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  188.6931  218.1715  268.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5685  218.1385  269.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3242  217.8226  268.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1908  217.5353  267.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9399  217.2362  266.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7989  216.9595  265.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9208  216.9792  264.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1773  217.2792  265.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3281  217.5624  266.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5750  217.8862  266.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4168  216.7516  264.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5141  216.7884  265.6587 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.2863  216.4789  263.4828 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.0915  216.2142  262.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9354  216.2986  263.4638 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.9051  216.0492  262.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3130  215.7059  261.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0256  215.7055  261.2194 S   0  0  0  0  0  0  0  0  0  0  0  0
  179.4007  215.4272  260.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.0451  215.5138  260.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5987  215.8539  261.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5202  216.1178  262.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.1486  215.2658  259.5786 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.1016  216.2656  262.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-2.73640552,5.24615130,182.98353101,216.60181382,264.03868329,-0.67550464
-0.06871192,-1.80276846

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442343/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.90258

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-2.49742

>  <SCORE.INTRA.DIHEDRAL>
-5.57686

>  <SCORE.INTRA.DIHEDRAL.0>
6.22885

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.291012

>  <SCORE.INTRA.VDW.0>
-0.264764

>  <SCORE.INTRA.norm>
-0.108583

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.213156

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007771

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 49  0  0  0  0  0  0  0  0999 V2000
  197.6826  216.3908  251.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4975  215.4087  251.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0920  214.4486  252.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2693  213.6520  253.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2114  212.7374  253.8477 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3397  214.1579  252.3596 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9579  215.2870  251.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6139  216.0710  251.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6368  213.5862  252.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7428  214.2828  251.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0322  213.7139  251.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2049  212.4027  252.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1082  211.6904  252.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8448  212.2838  252.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4954  211.7674  252.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5201  211.2438  252.2821 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2068  214.5244  251.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8447  215.6625  250.6899 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.0158  214.9266  252.3593 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.9890  213.8316  250.4747 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.7208  214.0863  253.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9416  213.3290  252.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5083  211.9248  251.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8280  211.8982  251.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3739  210.4761  251.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7933  210.2841  250.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0643  210.6182  249.2427 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0413  212.0616  248.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2834  212.9184  249.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5623  212.2036  249.1311 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5497  210.8129  249.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3967  210.0819  248.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7771  212.7333  248.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8241  212.0818  248.8068 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8138  214.1225  248.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6778  214.0036  246.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5006  213.4639  246.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5860  212.1299  245.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4654  211.4563  245.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2156  212.0883  245.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1426  213.4332  245.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2708  214.1136  246.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9682  211.3446  244.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3031  209.9711  244.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9948  211.0924  245.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2418  212.1712  243.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  3  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 43  1  0  0  0  0
 41 42  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
M  END
>  <CHROM.1>
75.70845841,-167.69807522,-13.04450686,71.43940114,-76.31021999,173.30574368
-170.63901851,-60.54908594,70.63446778,-91.06265066,62.63778760,-101.58684917
-11.42396155,201.31118475,212.92247896,249.82300087,2.28921178,-0.07165097
-1.83709505

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442344/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.4367

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-6.96333

>  <SCORE.INTRA.DIHEDRAL>
4.93521

>  <SCORE.INTRA.DIHEDRAL.0>
6.89604

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.43094

>  <SCORE.INTRA.VDW.0>
0.216679

>  <SCORE.INTRA.norm>
-0.151377

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.248623

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002732

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  199.2493  197.1212  240.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7985  197.1439  242.2086 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5295  198.2606  242.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3956  198.1813  244.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8422  199.4563  244.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3047  200.4776  243.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2837  199.8959  242.4607 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.4032  197.4391  242.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5950  197.4412  243.8057 Si  0  0  0  0  0  0  0  0  0  0  0  0
  196.8927  198.9942  244.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7304  197.3060  243.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0656  195.9280  244.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
-118.85696837,176.08196481,78.57895814,198.28965195,198.20872259,243.26590772
-0.16319413,-0.52965470,-2.16768042

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442345/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.05565

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-1.34435

>  <SCORE.INTRA.DIHEDRAL>
-1.10859

>  <SCORE.INTRA.DIHEDRAL.0>
1.67353

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.790052

>  <SCORE.INTRA.VDW.0>
-0.75461

>  <SCORE.INTRA.norm>
-0.112029

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.587971

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  210.0898  195.5699  254.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3448  197.0394  254.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7577  197.5894  253.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1187  199.0852  253.1291 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.8951  199.7601  254.4029 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4655  199.1530  255.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4390  200.0376  256.5063 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8858  201.2195  255.9395 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2013  201.0495  254.6605 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1841  197.8366  255.5115 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4515  199.8859  252.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2516  200.8107  251.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7412  201.6063  250.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4092  201.4161  249.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5918  200.5321  250.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0987  199.7785  251.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7646  202.0384  248.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4566  202.0356  247.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7478  200.6086  247.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7331  199.8146  246.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9877  198.4861  246.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2581  197.9519  246.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2749  198.7315  247.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0197  200.0530  247.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6051  196.1623  246.0055 Br  0  0  0  0  0  0  0  0  0  0  0  0
  211.5203  202.5144  249.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0614  203.5852  250.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0481  196.8647  251.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6110  195.7376  251.7353 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8763  197.4497  251.0380 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9554  197.3755  256.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3496  198.3282  251.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1100  196.9032  250.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 31  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
19.34580139,-137.87002882,-62.86343183,49.12899044,57.34576419,78.18878571
210.44207103,199.02265984,250.38434194,-0.83566397,1.50327517,-2.48573937

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442346/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.8811

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-4.5189

>  <SCORE.INTRA.DIHEDRAL>
-1.18271

>  <SCORE.INTRA.DIHEDRAL.0>
10.2068

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.92754

>  <SCORE.INTRA.VDW.0>
1.5586

>  <SCORE.INTRA.norm>
-0.15063

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.22937

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  220.9876  200.6943  183.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8794  201.6727  183.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5487  202.6429  182.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5264  203.5908  182.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8167  203.5454  183.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1737  202.5794  184.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1852  201.6518  184.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7626  204.4357  184.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6635  204.6568  183.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4228  204.3083  182.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6297  205.3403  184.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1647  205.4402  185.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5080  204.8521  185.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2111  204.7642  186.4881 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4252  205.9261  186.9486 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.3725  205.5912  183.7713 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3459  206.3748  184.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9938  206.1851  184.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0028  207.0062  184.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3520  208.0368  185.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6962  208.2574  185.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6862  207.4217  185.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0150  209.3589  186.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1120  210.0584  187.1411 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3463  209.5429  187.0109 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7748  210.6216  187.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0125  210.1894  188.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5172  211.3070  189.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7950  212.5833  188.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5705  213.0264  188.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0479  211.9112  187.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3157  204.6650  181.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2914  205.4269  182.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0475  209.1052  186.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 34  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
53.53650195,-170.21820145,-155.90075658,-1.90358927,148.16055675,215.12589294
206.53114197,185.39611353,-0.99015055,-0.21968270,0.61808483

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442347/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.0228

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-7.3772

>  <SCORE.INTRA.DIHEDRAL>
-18.0911

>  <SCORE.INTRA.DIHEDRAL.0>
33.1081

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.66833

>  <SCORE.INTRA.VDW.0>
-3.07918

>  <SCORE.INTRA.norm>
-0.230538

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0944624

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  220.0144  187.9191  243.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6001  187.5701  244.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4969  187.5226  245.7599 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.8014  188.8876  246.3396 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.0431  189.8330  246.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8157  188.9785  247.0416 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.8643  187.0905  246.3272 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.0908  187.9577  242.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3619  188.2682  241.8714 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  6  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  2   4   1   6  -1
M  END
>  <CHROM.1>
179.91043535,-179.90340032,62.56375846,63.38589064,218.88098093,188.10473232
244.99280858,0.72819057,-0.63424598,-2.11159458

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442348/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.954

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-0.446

>  <SCORE.INTRA.DIHEDRAL>
0.0362586

>  <SCORE.INTRA.DIHEDRAL.0>
2.41631

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.46413

>  <SCORE.INTRA.VDW.0>
-0.43174

>  <SCORE.INTRA.norm>
-0.0495556

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.994889

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008565

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  205.7611  185.9524  241.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6681  185.7349  239.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4229  185.5037  239.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2719  185.4910  240.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3651  185.7025  241.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6115  185.9303  242.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6988  186.1558  243.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9757  184.8779  244.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9515  183.9071  244.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2854  185.2816  237.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1940  183.1307  244.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1626  185.3174  237.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
0.04028495,-86.82751216,-60.21431815,-179.64560965,204.49194255,185.39578239
241.43500649,-1.58014660,0.48393947,1.69950373

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442349/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.18214

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.217864

>  <SCORE.INTRA.DIHEDRAL>
-0.365574

>  <SCORE.INTRA.DIHEDRAL.0>
1.0792

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0350773

>  <SCORE.INTRA.VDW.0>
-0.290599

>  <SCORE.INTRA.norm>
-0.0217864

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.718214

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002848

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  183.2735  207.8559  251.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9563  207.7671  252.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3505  208.9304  253.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0650  210.1932  252.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3770  210.2728  251.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9840  209.1075  250.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4827  211.4464  253.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4170  211.2049  255.1236 Se  0  0  1  0  0  0  0  0  0  0  0  0
  184.3760  212.8295  255.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.5791  211.1472  255.0918 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3623  210.2382  254.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-33.11499243,-160.51174717,77.33575422,183.97690692,210.50534533,253.73657389
-2.27221045,-1.33447050,0.22555437

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442350/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.84986

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.55014

>  <SCORE.INTRA.DIHEDRAL>
-0.512842

>  <SCORE.INTRA.DIHEDRAL.0>
1.69726

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.29372

>  <SCORE.INTRA.VDW.0>
-0.761984

>  <SCORE.INTRA.norm>
-0.055014

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.684986

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.095814

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  197.7259  197.9551  247.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5148  199.0416  248.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6069  200.4013  247.8524 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8251  201.4019  248.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4353  201.8356  249.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6969  201.8914  247.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3717  200.8203  247.1345 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7949  201.3207  245.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2016  200.2704  244.8010 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8994  200.7560  243.5695 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.4275  200.5495  243.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9526  201.2241  245.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0668  202.6181  245.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4606  203.2429  246.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7403  202.4861  247.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6483  201.0997  247.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2617  200.4667  246.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0055  200.1604  248.7606 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.8351  203.6191  243.6570 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.1171  203.3694  243.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4570  204.5758  242.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1460  204.5960  242.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4932  203.4003  242.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1469  202.2014  242.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4311  202.1457  243.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3785  199.7409  244.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 26  1  0  0  0  0
 10  9  1  1  0  0  0
 10 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-162.02719909,73.12625807,-166.74935396,100.10982935,198.38580923,201.61941111
245.77930774,1.30759496,0.13068487,2.10973559

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442351/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.81876

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-2.58124

>  <SCORE.INTRA.DIHEDRAL>
2.54768

>  <SCORE.INTRA.DIHEDRAL.0>
0.595435

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.85508

>  <SCORE.INTRA.VDW.0>
-0.150056

>  <SCORE.INTRA.norm>
-0.103249

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.272751

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000249

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  191.4854  210.1135  251.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4452  210.6421  252.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9980  210.9732  252.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9871  209.6149  253.4555 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3576  209.4096  253.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8717  208.3221  252.9030 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1950  208.2665  252.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0050  209.1864  253.4142 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3993  210.2318  253.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0804  210.3739  254.0102 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2409  211.2351  254.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5036  212.3615  253.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9965  206.8644  252.1502 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.1095  207.4261  250.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5642  208.6963  253.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9905  211.4586  255.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
74.31038956,-107.75800082,87.53902275,96.21323748,194.26127766,209.42921290
252.86209789,2.69677689,-0.17534363,0.51382170

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442352/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.97012

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-2.42988

>  <SCORE.INTRA.DIHEDRAL>
-1.15997

>  <SCORE.INTRA.DIHEDRAL.0>
4.34147

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.84989

>  <SCORE.INTRA.VDW.0>
0.919542

>  <SCORE.INTRA.norm>
-0.173563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.497866

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000058

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  205.3367  199.0720  246.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2035  198.2882  247.1063 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0874  197.9408  248.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0200  198.3841  249.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8775  198.0598  250.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8028  197.2829  251.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8725  196.8210  250.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0053  197.1409  248.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0237  196.6906  247.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1019  197.1218  246.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2660  197.8951  246.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3632  198.1391  244.9659 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0457  196.7745  245.6469 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2368  195.5880  246.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2379  195.1664  247.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0096  195.8355  248.3472 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5272  194.0953  247.8769 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5197  194.8365  245.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9247  194.2131  244.0812 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1128  197.9550  245.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3587  198.5090  246.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4543  199.5470  246.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2975  200.0699  244.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0392  199.5497  243.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9337  198.4933  244.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7516  197.8802  242.6851 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.8005  193.1828  247.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5236  194.2482  247.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  1  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  3  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-60.28304095,65.45224819,201.52016468,197.37322109,246.54055589,-0.62626621
-0.62894317,-0.90154086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442353/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.27206

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.127937

>  <SCORE.INTRA.DIHEDRAL>
0.00387653

>  <SCORE.INTRA.DIHEDRAL.0>
1.19778

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.129875

>  <SCORE.INTRA.VDW.0>
-2.24359

>  <SCORE.INTRA.norm>
-0.00492066

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.279695

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  198.7574  211.7319  254.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9908  210.7066  255.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8577  210.1558  254.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1028  210.8335  254.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8043  208.8120  254.9952 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0544  208.4023  255.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5468  207.2968  255.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7426  209.4612  255.9258 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5375  208.9700  257.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0106  208.9186  258.4115 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9119  208.3470  259.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3207  206.8927  259.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1710  206.0351  259.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2021  206.4905  258.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8291  207.9787  258.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7275  208.0174  254.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4035  208.4223  254.9916 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3107  208.3940  256.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5746  206.9971  257.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6425  206.0362  256.5391 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5934  206.0373  255.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3709  207.4514  254.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2431  211.3022  256.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-59.20627092,52.56675433,177.57330824,-56.16507337,197.06441980,208.39456758
256.39222494,-0.25618892,-0.47991776,-0.64501606

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442370/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.87729

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-1.52271

>  <SCORE.INTRA.DIHEDRAL>
-0.72133

>  <SCORE.INTRA.DIHEDRAL.0>
2.2648

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.16204

>  <SCORE.INTRA.VDW.0>
-2.60438

>  <SCORE.INTRA.norm>
-0.0662047

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.342491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.142999

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  202.9230  209.2911  240.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5395  209.0157  241.0918 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4113  207.6033  241.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9828  207.2068  241.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4852  206.5162  242.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0808  206.2973  242.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5516  206.8274  241.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7415  207.5848  240.6725 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.2288  209.9540  242.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9198  210.7572  242.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7582  211.7335  241.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8671  210.2210  242.8156 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4798  210.6404  242.6647 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.7491  209.8680  243.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8964  209.1045  244.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0577  209.3125  243.8215 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7095  208.1917  245.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8284  207.5256  246.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6842  206.6450  247.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4215  206.4299  247.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3058  207.0940  247.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4472  207.9778  246.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2363  205.3351  248.9790 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.9890  210.2827  241.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9276  209.5233  240.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9503  209.6014  239.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0211  210.3991  239.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6670  210.8063  240.2336 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-172.65887010,129.57786365,-132.86020472,-76.21808040,123.18529475,-179.23309921
198.45295439,208.45752131,243.20582402,-1.35278810,-0.22847504,2.07611106

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442371/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.97902

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.42098

>  <SCORE.INTRA.DIHEDRAL>
0.270241

>  <SCORE.INTRA.DIHEDRAL.0>
4.05898

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.55611

>  <SCORE.INTRA.VDW.0>
-1.51228

>  <SCORE.INTRA.norm>
-0.193607

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.213536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  205.4847  189.1488  237.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5028  188.3158  238.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9753  189.0447  239.6136 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2057  189.6535  239.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7693  188.6241  238.2164 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.5934  188.0047  237.6399 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8386  188.9577  237.1169 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1150  189.3967  237.8441 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.9360  188.1231  237.7672 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.7317  187.7529  236.3378 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.2732  187.9010  236.1869 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2492  186.4187  236.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5903  185.8400  237.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3422  186.9333  238.3812 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3676  185.1512  236.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3797  184.8095  238.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7868  190.5161  237.0816 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8789  191.5496  237.7523 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8330  187.0015  238.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  6  0  0  0
  9 14  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
64.38761080,119.58255736,209.76896032,188.05319740,237.73689912,2.86198865
0.23167685,0.05188971

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442372/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.13803

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-1.26197

>  <SCORE.INTRA.DIHEDRAL>
-2.896

>  <SCORE.INTRA.DIHEDRAL.0>
3.09998

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.186029

>  <SCORE.INTRA.VDW.0>
-1.43619

>  <SCORE.INTRA.norm>
-0.0664195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.323054

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027466

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  217.4548  181.5004  241.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4966  182.3551  241.9650 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2161  181.5744  242.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2254  181.5541  241.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2685  180.8977  243.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1712  182.7404  243.2335 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1124  182.2562  240.9530 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.6440  184.1345  240.2662 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.0054  185.1957  240.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0034  185.4806  242.3999 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.7541  186.2739  242.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7359  187.4912  242.9313 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6516  185.5124  242.9859 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0272  184.1914  243.1419 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4546  180.4016  243.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6227  182.3502  244.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.0747  183.7501  243.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.8513  186.0189  243.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.0585  183.8630  243.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.2974  184.3812  244.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <CHROM.1>
-169.73769929,-52.50213737,-88.46690894,-118.89475193,179.84042882,150.60699222
-72.14411971,-63.64609686,-96.88747648,-85.06913604,-179.38422396,217.89238652
183.58058664,241.96469085,-2.45704484,0.55867075,0.55530771

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442374/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07681

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02857

>  <SCORE.INTRA>
-6.32319

>  <SCORE.INTRA.DIHEDRAL>
6.51207

>  <SCORE.INTRA.DIHEDRAL.0>
4.07244

>  <SCORE.INTRA.POLAR>
-2.49459

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09761

>  <SCORE.INTRA.VDW.0>
-2.37715

>  <SCORE.INTRA.norm>
-0.451657

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.576915

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042307

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  208.2674  196.9838  248.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3762  196.8336  246.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2285  198.3961  247.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1953  199.3400  246.3008 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1168  198.4184  248.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7503  196.3575  246.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3954  197.0749  245.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4440  196.5243  244.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8931  195.2389  244.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3427  194.5339  245.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3032  195.0957  246.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1714  196.1206  246.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7775  194.7969  246.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7753  194.1275  245.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1252  194.7645  244.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4859  196.0621  244.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4947  196.7216  245.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-126.89084072,-58.63220848,208.41314938,196.37721602,246.12941046,3.07037667
-0.02441911,-2.57322351

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442375/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.36781

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.0321869

>  <SCORE.INTRA.DIHEDRAL>
-0.00883128

>  <SCORE.INTRA.DIHEDRAL.0>
1.60469

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0277713

>  <SCORE.INTRA.VDW.0>
-2.29867

>  <SCORE.INTRA.norm>
-0.00189335

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.433401

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.188349

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  220.9708  180.5900  242.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0212  179.5847  242.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8963  179.5310  243.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7161  180.4797  244.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6872  181.4783  244.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8057  181.5349  243.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4552  180.5160  245.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6207  181.8027  245.2642 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.1867  182.0738  243.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1543  181.5773  243.3510 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0467  183.0056  242.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8143  182.0954  241.6810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.4012  181.6538  246.0927 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8668  182.5262  246.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.6685  181.5791  247.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-118.10411709,58.41475603,86.64288364,178.98793423,113.50448676,217.94422872
181.34450080,243.67809310,-0.21076876,-0.35345653,1.89911173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442377/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.01005

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-1.38995

>  <SCORE.INTRA.DIHEDRAL>
-0.745756

>  <SCORE.INTRA.DIHEDRAL.0>
4.6359

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.01707

>  <SCORE.INTRA.VDW.0>
-2.04828

>  <SCORE.INTRA.norm>
-0.106919

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.693081

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.175805

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  190.3336  213.9821  252.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7923  214.3972  251.9723 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.8815  215.2650  252.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6658  213.3797  252.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2360  214.6391  250.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5630  215.3889  250.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4607  216.9260  250.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0493  217.6384  251.7086 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.5964  219.0634  251.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9740  220.1276  251.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6248  221.3414  250.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8815  221.5376  251.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4493  220.5486  252.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7968  219.3240  252.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5701  218.1054  253.6302 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.2768  217.3300  254.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5590  218.1604  255.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5074  217.6604  256.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1576  216.3184  256.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8713  215.4722  255.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9343  215.9730  254.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8447  215.7039  257.0923 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.5508  217.5100  251.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7582  217.7820  250.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0739  217.2059  253.1303 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2254  216.6786  253.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3790  217.7999  253.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
165.33035530,-92.29100199,73.85188679,150.68353590,78.44833621,-49.29705102
-43.37330823,-62.78829833,-149.31470440,192.92285709,217.18265092,253.14221095
2.61401771,1.03614789,1.55955176

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442379/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.15209

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-6.24791

>  <SCORE.INTRA.DIHEDRAL>
6.67653

>  <SCORE.INTRA.DIHEDRAL.0>
7.61164

>  <SCORE.INTRA.POLAR>
-1.49956

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.48766

>  <SCORE.INTRA.VDW.0>
-1.69731

>  <SCORE.INTRA.norm>
-0.26033

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.33967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000265

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  203.0927  205.7204  248.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7097  206.7528  249.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1139  207.2527  250.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8937  206.7485  251.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2887  205.7046  250.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8892  205.2023  249.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2504  204.1941  248.5229 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2027  207.3257  252.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7496  206.8807  253.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1201  206.1781  254.3823 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9660  207.3800  253.9252 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7292  208.2447  251.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7641  203.9545  247.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3579  207.9257  253.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5595  208.4866  250.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
0.48495318,-79.18610531,-0.77315853,-112.66525063,-3.57960460,202.26503125
206.47743070,251.16935276,-1.53926513,0.72064638,1.18604190

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442380/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.56552

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-3.83448

>  <SCORE.INTRA.DIHEDRAL>
0.0705252

>  <SCORE.INTRA.DIHEDRAL.0>
2.04155

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.469741

>  <SCORE.INTRA.VDW.0>
0.584252

>  <SCORE.INTRA.norm>
-0.31954

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.297127

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002959

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  216.6373  186.1047  250.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8864  185.9523  251.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3625  184.8810  252.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7150  185.4337  253.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9088  186.7940  253.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6097  187.1171  252.3739 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4974  183.4399  252.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1665  183.0249  250.9651 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1391  181.6532  250.9326 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4360  181.2525  251.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0201  182.3345  252.7329 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2260  182.3794  253.8610 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2982  181.3464  254.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4776  181.2430  255.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6179  180.1024  256.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9187  180.0255  257.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0725  181.0564  258.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9008  182.1766  257.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6085  182.2746  256.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4216  180.9829  259.4178 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.0839  178.9513  258.6378 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.0248  179.5976  252.2900 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.0806  178.7112  251.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5172  178.6622  251.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0263  177.6869  252.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2068  179.8081  251.3792 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6861  180.5327  250.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
1.36589790,11.72884181,-155.05338454,-179.49557144,76.27588429,100.62516676
0.37715484,214.85357873,181.84952204,253.83233176,0.54843384,0.97858836,-0.23863336

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442381/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.94019

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-2.45981

>  <SCORE.INTRA.DIHEDRAL>
-4.1605

>  <SCORE.INTRA.DIHEDRAL.0>
7.46378

>  <SCORE.INTRA.POLAR>
-0.369065

>  <SCORE.INTRA.POLAR.0>
-0.630935

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.875256

>  <SCORE.INTRA.VDW.0>
-2.0538

>  <SCORE.INTRA.norm>
-0.0946082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.343853

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  207.8244  195.6268  251.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7220  196.0045  250.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0529  196.1913  249.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1849  196.0418  248.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8140  196.5802  248.3189 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7740  195.4317  248.3370 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.0807  195.3553  249.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5910  194.1328  250.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8747  194.0883  251.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6264  195.2631  252.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1098  196.4861  251.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8540  196.5402  250.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3282  197.8286  249.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2361  197.8575  248.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7076  199.1233  248.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4980  199.1504  247.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1105  200.2066  248.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5137  201.4516  248.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7771  195.5454  247.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8262  196.5802  247.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8915  196.6469  246.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8972  195.6840  245.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8534  194.6691  245.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7925  194.6045  246.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
0.56342974,-63.19033528,-68.60696607,0.84182349,-179.17694403,204.67578553
196.61445786,248.75275416,0.01195712,0.79421248,2.24233804

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442382/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.8412

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-0.558799

>  <SCORE.INTRA.DIHEDRAL>
-0.123492

>  <SCORE.INTRA.DIHEDRAL.0>
1.68191

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.497053

>  <SCORE.INTRA.VDW.0>
1.63607

>  <SCORE.INTRA.norm>
-0.0232833

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.41005

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.064938

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  203.1785  216.7443  249.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5448  217.3529  250.3668 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5985  218.9011  250.3937 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.8097  219.4006  251.6289 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3216  218.7166  252.9114 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4374  217.1905  252.7765 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.0932  216.8022  251.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2094  216.6671  253.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6248  219.2754  253.2321 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9634  220.8260  251.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1444  219.5486  249.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1871  219.8578  248.2435 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.1566  220.9043  248.8300 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.1999  220.1748  249.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4641  220.4700  250.8242 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8885  219.0291  248.9366 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.7653  218.0502  248.5889 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8359  218.7072  247.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3343  216.8209  247.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8062  217.1753  246.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5685  219.4790  247.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4477  221.9366  249.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7687  217.0768  248.6531 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2501  215.7039  253.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2180  219.0761  252.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.4222  221.0899  252.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4163  217.9299  246.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.2478  220.1311  248.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9682  221.5021  250.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8289  218.0465  248.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  6  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  1  0  0  0  0
  5  9  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 11  1  1  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  1  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
M  END
>  <CHROM.1>
62.98425074,-52.04666193,-93.68468766,177.98901153,-61.11711519,-179.89248867
-65.07382432,61.84008249,60.50946911,-68.63314449,52.25692203,205.54396646
218.75029150,250.03652088,2.77541533,0.96973321,0.59972967

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442383/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-9.10589

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-18.5059

>  <SCORE.INTRA.DIHEDRAL>
-16.3864

>  <SCORE.INTRA.DIHEDRAL.0>
22.3934

>  <SCORE.INTRA.POLAR>
-2.32906

>  <SCORE.INTRA.POLAR.0>
-0.158963

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.39389

>  <SCORE.INTRA.VDW.0>
-0.402908

>  <SCORE.INTRA.norm>
-0.804604

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.395908

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000383

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  205.2994  202.2620  257.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9532  202.8869  256.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9628  201.8838  255.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5285  202.2681  254.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0255  203.3661  254.0492 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5157  201.1286  253.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3260  199.9207  253.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5901  198.7832  252.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3710  197.6471  253.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8796  196.6376  253.8766 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6894  197.9794  253.4550 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5239  197.0019  254.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9387  197.5482  254.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6755  200.3814  254.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9775  200.3250  255.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4183  201.0078  253.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6721  201.5373  253.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3445  202.1768  252.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6159  199.3510  254.9339 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4214  200.0795  255.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-179.62462547,1.23797115,-61.27075772,-169.57994969,-179.23231874,111.69576801
-51.01732925,94.75374822,176.05459580,-179.32750509,177.20123961,179.54125724
208.23458830,200.21766532,254.31890298,2.33993191,0.41054049,0.05378928

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442384/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.18309

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.863158

>  <SCORE.INTRA>
-15.2169

>  <SCORE.INTRA.DIHEDRAL>
-19.4798

>  <SCORE.INTRA.DIHEDRAL.0>
23.2624

>  <SCORE.INTRA.POLAR>
-0.73825

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.96698

>  <SCORE.INTRA.VDW.0>
1.99855

>  <SCORE.INTRA.norm>
-0.80089

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.0622678

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.142575

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  217.8612  190.6014  254.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0649  189.9932  252.9693 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8334  188.7461  252.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9155  187.9922  251.7526 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9247  188.7045  250.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6819  190.0485  250.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3902  190.8645  251.8482 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.5371  191.6983  252.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7916  190.4429  249.3541 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0756  189.3128  248.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1658  188.2379  249.3847 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1588  187.0126  251.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.7177  192.2651  251.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3475  191.1068  252.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.7027  191.3824  249.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  1  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
178.97691699,218.76139111,189.72357844,251.37287431,2.80860453,1.40535874
0.04026106

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442385/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.90841

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.491594

>  <SCORE.INTRA.DIHEDRAL>
0.00197978

>  <SCORE.INTRA.DIHEDRAL.0>
0.0106726

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.492584

>  <SCORE.INTRA.VDW.0>
0.111471

>  <SCORE.INTRA.norm>
-0.0446904

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.537128

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000601

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  196.6775  202.2146  250.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0893  203.1405  251.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5470  203.0192  251.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9772  202.6217  252.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3465  203.4819  250.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0210  203.5836  251.2135 P   0  0  0  0  0  0  0  0  0  0  0  0
  201.2595  202.1146  250.8719 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3476  204.4554  249.8715 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6955  203.6853  251.6360 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3431  202.4931  248.8883 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4790  204.0022  248.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5474  204.5963  248.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2875  204.6326  248.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6776  201.8547  248.8613 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5813  204.5203  249.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1286  203.2774  250.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3613  205.5986  248.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2828  202.3633  249.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1017  202.0264  247.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10  1  1  1  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <CHROM.1>
-63.87052171,-38.98344506,-116.23465457,171.82280183,84.03062343,-6.97511123
69.14438854,113.25058136,-69.34022250,179.57455400,199.19499062,203.32965652
250.35474806,2.74204250,-0.19552270,-1.09429316

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442386/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.20572

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-16.6057

>  <SCORE.INTRA.DIHEDRAL>
-20.1899

>  <SCORE.INTRA.DIHEDRAL.0>
25.589

>  <SCORE.INTRA.POLAR>
-1.93852

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0801853

>  <SCORE.INTRA.VDW.0>
-1.67665

>  <SCORE.INTRA.norm>
-1.18612

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
-0.300408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.102971

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  197.1824  192.1272  251.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4155  192.8037  251.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1948  192.2114  252.7385 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7515  194.1695  251.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8712  194.7648  251.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9134  196.1129  251.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8448  196.8956  251.4374 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6879  196.2884  250.7169 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9397  195.0441  250.6378 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8599  194.5096  249.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0177  194.3375  248.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9316  193.8853  247.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6970  193.5608  246.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5397  193.7120  247.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6192  194.1895  248.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7428  193.1595  245.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9106  192.0573  244.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3754  197.4198  249.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3003  198.4589  249.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0182  199.5523  248.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7906  199.6381  248.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8604  198.6005  248.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1652  197.4874  249.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5561  200.8099  247.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3682  201.7109  247.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3527  200.8153  246.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8284  194.2780  252.8177 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1737  201.5860  246.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5614  193.3676  253.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
-177.59052520,0.79840215,-2.58013278,-60.80499772,138.50591435,-2.37722867
178.70084799,198.29917867,195.87100463,249.26402793,1.26502854,1.16281986
3.04373562

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442387/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.93092

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.19631

>  <SCORE.INTRA.VDW.0>
-1.06823

>  <SCORE.INTRA.norm>
-0.239596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.145589

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001408

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  193.3512  211.2037  252.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7512  211.4690  252.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2918  210.2545  251.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7008  210.5124  250.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2322  209.2907  250.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6405  209.5463  249.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1728  208.3263  248.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5825  208.5904  248.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1169  207.3912  247.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2290  206.7398  247.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7785  205.5517  247.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1607  205.8278  246.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4936  205.7913  245.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8439  206.0246  244.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2232  205.9854  243.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6546  206.1155  243.1921 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.1503  204.9466  242.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1837  203.6151  243.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2469  203.5587  244.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8318  204.4141  245.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3613  205.4747  245.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
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  207.4956  204.4624  246.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6213  208.0520  243.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
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-120.13239996,119.41816765,-119.70480942,179.36221236,124.02670394,-64.61039062
61.41443730,-68.79720359,73.16673222,-108.65239371,-179.16249334,203.05287518
207.05193457,246.91848626,-2.97627810,0.60842419,-0.93217977

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442388/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.3645

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-0.777383

>  <SCORE.INTRA.norm>
-0.13198

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.754977

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004262

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  210.8001  185.7788  251.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8225  184.7080  251.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6656  183.7819  252.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6062  182.7366  252.6291 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7563  182.7609  251.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7259  181.8993  251.9404 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8543  181.9631  251.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7305  181.1057  251.2336 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0344  183.0107  250.3145 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1024  183.9505  250.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2795  184.8048  249.1393 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8585  183.8771  250.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
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  212.3693  181.5198  253.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5421  180.4231  252.7212 C   0  0  1  0  0  0  0  0  0  0  0  0
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  216.8888  182.9974  249.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
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  213.9364  180.0820  251.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  1  0  0  0
 17 18  1  6  0  0  0
 17 20  1  0  0  0  0
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 19 25  1  0  0  0  0
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M  END
>  <CHROM.1>
81.56833774,52.68019079,-65.23723447,-61.97789378,176.92745891,-53.61671277
-66.19660688,64.35182750,59.02393952,213.08776120,182.24445869,251.25004655
2.60493385,-0.45987097,3.02037171

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442389/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-1.80842

>  <SCORE.INTRA.norm>
-0.532245

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.0800714

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000697

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 31  0  0  0  0  0  0  0  0999 V2000
  187.8505  217.7940  271.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6790  219.0836  270.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4154  220.2254  271.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2034  218.9674  268.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9865  220.1696  267.9311 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.5990  219.9383  266.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6333  221.2151  265.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7253  221.5716  264.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7543  221.9844  265.9150 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8065  223.2139  265.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4739  220.4061  267.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6347  219.5561  268.0637 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1275  221.6569  267.3392 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.7437  222.0983  267.1281 C   0  0  1  0  0  0  0  0  0  0  0  0
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  186.6503  224.4951  265.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3979  224.6936  264.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8397  224.4197  263.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4998  224.0453  263.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7522  223.8459  264.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6690  224.5713  262.1281 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3420  225.6821  261.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1467  221.1802  266.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0138  220.7046  266.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.9459  220.9734  264.9238 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5640  220.0863  263.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4211  221.8479  266.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6214  223.6213  265.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.8448  222.3102  267.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.8698  221.3815  264.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  6  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <CHROM.1>
175.24101441,178.11783472,-168.28874415,-18.08204923,-90.33855736,173.96829513
173.16172366,59.52365585,136.17440193,-92.30438679,-110.10869226,186.72196423
221.83100541,266.12114858,-1.45737381,-0.13229435,-0.87939720

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442390/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.01303

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57037

>  <SCORE.INTRA>
-7.38697

>  <SCORE.INTRA.DIHEDRAL>
4.05068

>  <SCORE.INTRA.DIHEDRAL.0>
6.92872

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.01231

>  <SCORE.INTRA.VDW.0>
-0.457464

>  <SCORE.INTRA.norm>
-0.273592

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.296779

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016574

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  219.2924  183.6505  243.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2387  182.5586  244.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5792  182.9382  243.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6212  182.0961  244.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3152  180.8615  244.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9727  180.4872  244.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9186  181.3427  244.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5971  178.9409  245.7454 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.8058  178.1517  245.7797 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8584  179.2663  246.9465 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4980  178.2298  244.6655 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1176  177.6108  243.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8362  178.5874  242.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2293  178.6011  242.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8551  179.5773  241.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0947  180.5593  241.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7127  180.5666  241.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0861  179.5918  241.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5868  184.2479  243.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2523  184.6867  243.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9487  185.9154  242.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0130  186.7088  241.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3470  186.2835  242.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6386  185.0474  242.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7036  188.3197  241.2861 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.2787  188.4231  241.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4293  189.2802  242.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4932  188.2623  239.7904 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7766  187.5407  238.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5507  186.0859  239.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2563  185.5941  239.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0630  184.2665  239.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1579  183.4194  239.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4468  183.8945  239.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6426  185.2206  239.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7506  178.8758  244.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.4738  187.9986  239.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 37  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-13.50402942,78.53708000,-63.69723550,110.95831508,-10.78483372,78.54885743
-61.62654726,113.01950059,220.85912537,183.11054402,242.46458471,1.99770666
1.54009769,-0.86438837

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442391/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.59752

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.382857

>  <SCORE.INTRA>
-9.80248

>  <SCORE.INTRA.DIHEDRAL>
-1.7733

>  <SCORE.INTRA.DIHEDRAL.0>
6.39493

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.91583

>  <SCORE.INTRA.VDW.0>
-2.45826

>  <SCORE.INTRA.norm>
-0.280071

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.102786

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004756

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 56  0  0  0  0  0  0  0  0999 V2000
  210.1332  193.9201  232.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8654  192.4101  233.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3640  192.2552  233.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1209  191.7119  231.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1467  190.2799  231.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2274  189.4215  230.4299 P   0  0  1  0  0  0  0  0  0  0  0  0
  211.6091  189.9792  230.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5139  188.1054  231.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3080  188.5631  228.9301 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7823  189.5958  227.6455 P   0  0  1  0  0  0  0  0  0  0  0  0
  210.2237  188.5426  226.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2524  189.1868  228.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2566  190.6285  226.3609 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2847  192.0364  226.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4935  192.4193  227.8330 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.3387  193.9171  228.1101 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.1794  193.9011  229.0953 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.2905  192.8057  228.4623 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1552  191.8910  227.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4542  192.0506  229.3624 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0995  192.1885  229.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6167  191.4130  230.4504 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7163  190.7289  230.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8750  189.7965  231.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1018  189.2625  232.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1268  189.6963  231.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1085  190.6180  230.4376 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8592  191.0804  230.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8412  189.3900  232.7994 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7003  193.6304  230.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9637  194.6866  226.9677 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7774  191.8314  234.2875 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.3644  190.4102  234.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4884  190.1897  235.5794 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0875  189.3799  234.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2367  188.7880  234.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9499  187.7245  234.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6054  188.3567  232.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1553  188.2437  231.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7430  189.0900  233.0967 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6613  190.5383  233.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3604  191.1046  231.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6039  190.6912  230.5214 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.1587  191.8385  233.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4655  187.8579  231.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7497  189.9317  228.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.1548  188.8953  233.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1295  190.0985  232.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.8837  192.6729  230.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9220  195.6288  227.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0056  189.2965  233.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.6463  188.6649  232.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6504  191.2749  231.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4226  192.7731  233.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 32  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  6  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  6  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 33  1  6  0  0  0
 32 44  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 51  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 52  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 53  1  0  0  0  0
 44 54  1  0  0  0  0
M  END
>  <CHROM.1>
169.06931557,167.36212603,172.53368003,64.24423372,-106.85876099,178.64893836
171.92004229,112.58967069,149.31762370,-55.27691315,-174.38262307,-177.87897225
-78.39897425,105.57035472,-165.74878350,-83.10907493,64.21014531,95.77250689
-176.19024075,67.85665176,-105.93627720,-100.82983837,-67.33571729,-59.18391336
-60.09951689,209.56574335,190.69687330,230.81544663,0.47894544,-0.19021314
1.72520936

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442393/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.50356

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577273

>  <SCORE.INTRA>
-29.9036

>  <SCORE.INTRA.DIHEDRAL>
-11.5223

>  <SCORE.INTRA.DIHEDRAL.0>
29.7015

>  <SCORE.INTRA.POLAR>
-1.44419

>  <SCORE.INTRA.POLAR.0>
-2.81932

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-19.2322

>  <SCORE.INTRA.VDW.0>
5.45127

>  <SCORE.INTRA.norm>
-0.679626

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
-0.102354

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015957

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  208.9807  205.3423  251.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4788  204.8571  252.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5122  203.3305  252.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7583  202.6641  251.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2984  203.1517  249.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2285  204.6724  249.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8109  201.2129  251.3965 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7939  200.4786  251.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7727  200.9902  252.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0134  198.9641  251.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3536  198.6468  251.4620 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3253  198.4669  250.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6872  198.7865  249.3601 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.7756  197.8391  249.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0273  198.6528  249.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5607  200.0687  249.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1377  200.1043  249.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6760  200.7318  251.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.6710  197.7632  251.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 13 12  1  1  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
95.50106289,5.86765304,-89.82370496,153.36065514,63.16757340,208.73936472
201.05644367,250.87260351,-1.97492861,-0.51143894,-3.09840936

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442410/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74999

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-3.65001

>  <SCORE.INTRA.DIHEDRAL>
2.19247

>  <SCORE.INTRA.DIHEDRAL.0>
2.24835

>  <SCORE.INTRA.POLAR>
-1.15576

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.816676

>  <SCORE.INTRA.VDW.0>
-1.60716

>  <SCORE.INTRA.norm>
-0.214707

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.397058

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008115

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 41  0  0  0  0  0  0  0  0999 V2000
  199.9197  207.4807  244.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6681  206.8637  245.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6574  205.7405  245.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4959  205.8280  246.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2198  204.6477  245.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3166  203.5483  244.9286 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2958  203.9260  243.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9349  204.1901  242.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1679  202.9046  243.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0856  202.3540  244.6197 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1188  201.9989  245.9611 P   0  0  1  0  0  0  0  0  0  0  0  0
  199.0715  201.0259  246.5238 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2648  201.0049  244.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2520  201.7901  243.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6332  202.7501  242.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6849  203.5941  242.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3993  204.5642  243.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7814  204.4676  243.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4305  205.3308  244.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7054  206.2951  244.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3272  206.4023  244.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6770  205.5398  243.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2117  201.6234  247.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8842  202.4671  248.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1145  202.0649  249.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4291  203.7340  248.5820 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4983  204.5968  249.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4492  206.0026  249.1435 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.1934  205.8489  247.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1250  204.3640  247.4439 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5880  203.9088  247.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4105  204.0341  248.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7672  203.4707  245.9818 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.0320  207.1422  250.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8640  208.4978  249.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3515  209.6757  250.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6733  209.7061  251.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8770  208.3890  252.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3867  207.1936  251.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  1  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 34  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  CHG  1  33  -1
M  END
>  <CHROM.1>
-104.24796870,-174.25490701,69.36292572,63.32166974,59.87203800,94.82776366
79.73330684,69.39499835,-62.48439760,173.92379176,-66.35526316,118.30033467
93.53984389,-177.99583047,-56.87978437,201.16147826,204.62468562,246.42682282
1.84580623,-0.30492574,-2.13132105

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442411/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.0179

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.523077

>  <SCORE.INTRA>
-7.38211

>  <SCORE.INTRA.DIHEDRAL>
-1.92471

>  <SCORE.INTRA.DIHEDRAL.0>
12.0041

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.41975

>  <SCORE.INTRA.VDW.0>
-2.97684

>  <SCORE.INTRA.norm>
-0.189285

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.333792

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020757

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  200.5768  219.8896  249.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1166  220.0394  248.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8844  219.6119  247.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5026  219.7519  246.8384 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5903  218.6382  246.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3800  219.2837  246.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5761  220.5563  245.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9630  220.8869  246.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5026  221.9597  246.0594 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6013  221.4607  245.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2026  220.8445  245.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0110  219.2967  245.2286 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.1110  218.5542  246.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6216  218.5754  243.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7585  218.6720  242.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2806  217.0814  244.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3421  219.2054  243.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
-179.79221995,-99.15074574,65.19051727,195.49392173,219.66413711,245.81140822
-0.08760544,0.56424655,2.97694010

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442412/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.59801

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-0.801989

>  <SCORE.INTRA.DIHEDRAL>
-1.18773

>  <SCORE.INTRA.DIHEDRAL.0>
3.75464

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.208124

>  <SCORE.INTRA.VDW.0>
1.8106

>  <SCORE.INTRA.norm>
-0.0471758

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.446942

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009490

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  221.6051  189.1364  246.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7094  188.0243  245.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9934  187.3342  246.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0603  186.2008  246.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9982  186.7454  245.4463 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.1254  186.6257  244.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8317  185.8025  243.5084 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2614  187.6482  243.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4775  188.2557  242.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8526  189.4989  241.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8679  190.3512  242.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6006  191.5428  241.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3195  191.8834  240.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2968  191.0247  239.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5356  189.8382  240.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4549  188.8370  240.1768 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5349  187.8733  241.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3031  186.9321  241.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3297  188.8568  239.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4310  187.5987  238.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0235  187.6360  236.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9890  186.4809  238.7198 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2158  185.2541  238.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5479  184.1418  238.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7580  182.8980  238.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7175  182.7737  236.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4515  183.8896  236.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1711  185.1228  236.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5137  183.7795  234.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0207  188.0689  244.5327 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.8698  187.3795  245.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3127  187.5497  247.4586 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.9913  186.4593  239.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 31  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
179.68650826,-62.15907324,99.47632719,-132.61133799,114.44821740,-168.12927719
218.50789567,187.36259238,241.69845038,-2.10803393,1.00937447,-1.43782103

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442413/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30168

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-4.09832

>  <SCORE.INTRA.DIHEDRAL>
-2.54344

>  <SCORE.INTRA.DIHEDRAL.0>
9.29346

>  <SCORE.INTRA.POLAR>
-0.898676

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.228899

>  <SCORE.INTRA.VDW.0>
-2.40265

>  <SCORE.INTRA.norm>
-0.128072

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.228178

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 46  0  0  0  0  0  0  0  0999 V2000
  192.2661  205.8458  258.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9892  205.9383  259.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8930  206.9277  260.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8673  206.6179  261.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9454  207.6222  262.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1896  208.9265  262.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1394  209.2582  261.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8422  208.2825  260.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3453  208.6940  258.8072 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8802  209.7054  258.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8304  210.3840  258.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4118  209.8873  256.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6404  208.7016  256.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9810  208.7355  254.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7966  207.9258  253.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0049  208.1831  251.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4122  209.2698  251.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5936  210.1108  251.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3948  209.8761  253.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6232  210.8481  254.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9291  210.0113  255.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0057  208.3051  254.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1869  206.7622  254.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9807  207.0175  255.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8444  208.7106  255.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8853  210.2996  255.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9341  207.6814  256.8277 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6134  207.8735  258.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0200  207.3363  258.5600 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.2624  208.7653  259.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9528  209.3533  260.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1632  208.7390  261.6331 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3876  210.6534  260.5065 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1198  211.5720  259.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2922  212.3305  258.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4180  212.5790  257.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5916  213.1395  257.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6194  213.4676  257.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4918  213.2553  259.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3287  212.6797  259.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7468  211.0484  261.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 41  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <CHROM.1>
-106.86837661,-141.71120496,37.97245937,-60.05425249,-60.65519541,-133.42347928
142.31662038,190.31819777,209.20958905,257.62117819,-2.58011487,1.37600242
-0.52865816

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442414/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.50372

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.31

>  <SCORE.INTRA>
-5.89628

>  <SCORE.INTRA.DIHEDRAL>
3.27701

>  <SCORE.INTRA.DIHEDRAL.0>
6.56863

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.53478

>  <SCORE.INTRA.VDW.0>
-2.6358

>  <SCORE.INTRA.norm>
-0.147407

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.162593

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 44 43  0  0  0  0  0  0  0  0999 V2000
  190.4697  211.3036  260.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5853  212.4814  259.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4981  212.4222  258.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5823  213.6300  257.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5365  213.5261  256.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5850  214.7584  255.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5777  214.6295  254.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7045  215.8063  253.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6937  215.6746  252.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7909  216.8690  251.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7316  216.7706  250.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9125  217.8873  249.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7629  217.8982  248.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0753  218.8668  247.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0045  218.8438  245.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0283  217.4938  245.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4019  217.3131  244.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5792  216.5271  246.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7006  215.1821  245.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4653  214.1763  246.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0699  214.5030  247.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0539  215.6787  248.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.8515  215.9745  248.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8964  215.2179  248.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.8830  217.3656  249.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0764  217.5235  250.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9165  216.6412  251.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0800  216.8840  252.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9897  215.9342  253.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1507  216.1744  254.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1356  215.1393  255.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2349  215.4398  256.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1828  214.4408  257.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3178  214.7053  258.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3044  213.6734  259.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4179  213.9561  260.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3472  212.9638  261.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4929  213.1923  262.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5484  212.0800  263.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4967  212.8033  246.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3523  211.5167  247.3962 Si  0  0  0  0  0  0  0  0  0  0  0  0
  181.5488  211.1137  247.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2441  209.9634  246.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2014  211.8899  249.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
M  END
>  <CHROM.1>
177.98575656,177.20957792,177.74519333,177.83896302,-175.36921045,-179.89343879
178.43756840,-177.16414975,-174.39625084,-173.31067689,-170.86590137,175.99144035
-65.95196127,-110.60032084,-173.61294977,167.25268504,56.65905340,-75.09384066
176.41772149,-177.73031620,14.10117167,-53.09934598,-65.59785965,-176.44845512
-175.73294645,179.92691763,-174.63341038,-175.87374910,177.54936432,177.64204109
-177.83850369,-178.60307997,176.91590843,177.51503685,-171.29703240,85.92241800
185.09483555,214.82325275,252.27176405,-0.15143334,1.19921846,-2.81289197

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442415/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
34.4046

>  <SCORE.INTER>
41.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
36

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.940909

>  <SCORE.INTRA>
-6.99538

>  <SCORE.INTRA.DIHEDRAL>
-5.23434

>  <SCORE.INTRA.DIHEDRAL.0>
13.3017

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0277816

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.51712

>  <SCORE.INTRA.VDW.0>
-3.48201

>  <SCORE.INTRA.norm>
-0.158986

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.781923

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028595

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  261.4425  191.1257  275.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.2288  191.5921  274.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.1900  192.7714  274.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
  263.1072  190.6061  273.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
  264.5206  191.0602  273.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
  264.8485  192.1124  273.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
  265.3828  190.0714  274.1702 O   0  0  0  0  0  0  0  0  0  0  0  0
  266.7833  190.3910  274.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
  267.2413  191.0831  275.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  267.2837  190.0838  276.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
  268.7063  191.5408  275.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
  266.3354  192.2296  275.7534 N   0  0  0  0  0  0  0  0  0  0  0  0
  265.1459  192.1102  276.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
  264.6284  191.1399  276.9615 O   0  0  0  0  0  0  0  0  0  0  0  0
  264.5040  193.4203  276.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
  263.3516  193.8600  277.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
  263.0024  195.2039  276.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  263.8028  196.0606  276.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  264.9541  195.5828  275.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  265.2758  194.2526  275.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  266.3866  193.4597  275.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  267.1461  193.8853  274.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-127.65563181,-54.28499010,-176.81744159,85.36873821,71.47884617,85.15963198
264.93690755,192.37297404,275.32012817,2.49799909,-0.01264333,0.29424683

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442416/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1817

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-5.2183

>  <SCORE.INTRA.DIHEDRAL>
-3.33697

>  <SCORE.INTRA.DIHEDRAL.0>
12.8041

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.280986

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.058433

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  191.9966  198.7980  239.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6004  198.6635  240.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8000  197.7781  241.3942 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2253  197.5689  242.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6467  196.4774  243.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0765  196.1214  244.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1138  196.8612  245.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6267  198.0005  244.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1726  198.3590  243.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6983  196.3976  246.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3248  195.2258  247.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0431  194.7083  247.8605 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9810  194.6630  246.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4379  195.0714  245.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3107  193.9172  247.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2357  194.5615  249.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9935  195.2820  249.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9426  196.8240  249.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1942  197.5158  248.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2448  198.4437  248.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5086  199.1174  246.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7129  198.8852  245.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6487  197.9902  245.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3831  197.3148  247.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1399  194.1380  250.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9875  193.2701  249.9007 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9938  194.7471  251.3131 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4741  196.0868  251.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6928  196.4067  250.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8749  195.6609  250.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0080  195.9979  250.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9731  197.0841  249.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8044  197.8248  249.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6677  197.4887  249.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5590  196.8095  246.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1996  194.4644  251.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-179.56630592,-165.41360926,48.94088758,96.67191276,-103.31831788,60.05076675
-122.04083758,-77.57663171,-30.65773727,-60.45129942,192.36841219,196.54188621
247.00818665,-1.68416487,0.05941401,1.88909752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442417/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.21173

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-9.18827

>  <SCORE.INTRA.DIHEDRAL>
-0.313999

>  <SCORE.INTRA.DIHEDRAL.0>
7.33421

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.03127

>  <SCORE.INTRA.VDW.0>
-0.5971

>  <SCORE.INTRA.norm>
-0.270243

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.182698

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000122

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  190.1169  222.8261  252.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6759  221.8052  251.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0932  220.4169  251.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6873  219.4636  250.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2095  218.0187  250.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9071  217.3257  249.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2263  216.9353  248.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5066  216.5217  247.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7496  216.3969  246.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9778  216.1873  245.2007 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8135  217.3225  244.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0107  218.6326  244.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8247  219.3464  245.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9481  220.5751  245.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6780  221.2742  246.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7898  222.4907  246.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5526  223.2438  248.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8173  223.9178  248.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0964  225.0961  248.3481 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6055  223.0126  249.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8343  223.5676  249.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6159  214.9344  245.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7223  214.7991  244.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.34836216,179.63717744,179.31300463,-74.95741021,147.29934389,119.32175210
-71.21871639,177.70650432,74.88296740,-176.40596784,177.00245629,-179.58458482
-177.59282930,69.44124425,98.70920974,179.41191750,191.83579518,220.03955108
248.00858158,2.05017078,1.14226885,0.13131877

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
18.0687

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.821304

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005241

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  194.1960  211.4160  254.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1231  212.2076  254.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4239  211.7269  255.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3678  212.5012  255.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0352  213.7488  256.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7391  214.2283  256.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7466  213.4890  255.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4053  213.9334  255.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5081  213.1379  254.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9011  211.8833  254.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7645  210.9089  253.1285 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.4457  211.1059  253.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0544  211.1354  251.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1514  209.3850  253.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0133  215.2609  255.5220 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4128  215.4421  256.7321 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9894  211.8559  256.1179 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.9249  212.9554  256.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9127  210.9659  257.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2886  210.9765  254.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0435  209.2718  254.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3553  215.2868  256.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6857  215.7820  254.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5110  215.6878  256.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2666  211.5840  254.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <CHROM.1>
145.77212429,175.22466393,-112.48769257,145.55718591,59.66128513,61.43150622
195.11503183,212.25872129,254.96667462,-2.86739031,-0.28879220,0.44991831

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442419/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.81492

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-2.58508

>  <SCORE.INTRA.DIHEDRAL>
-2.40495

>  <SCORE.INTRA.DIHEDRAL.0>
5.12513

>  <SCORE.INTRA.POLAR>
-0.24713

>  <SCORE.INTRA.POLAR.0>
-0.709162

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.542369

>  <SCORE.INTRA.VDW.0>
-0.928306

>  <SCORE.INTRA.norm>
-0.129254

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.290746

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001780

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  209.0734  178.5700  247.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3417  179.8907  248.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9994  179.7556  249.4010 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1768  180.8545  250.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4457  180.6194  251.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6883  181.7064  252.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8276  183.0180  251.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4062  183.2546  250.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0924  182.1739  249.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2888  184.5696  250.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5292  185.6330  251.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0066  185.4281  252.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2975  184.0933  252.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0544  183.9112  253.8403 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.2355  184.9077  254.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8081  186.1991  254.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0251  187.2062  255.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6863  188.5437  255.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0596  188.8532  253.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8398  187.8333  253.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2153  186.4885  253.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6390  190.0577  253.4837 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1826  191.0752  254.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9527  189.5290  256.0927 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3326  189.8380  256.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9009  182.7113  254.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4929  179.3220  251.9914 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5900  178.9889  252.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5203  177.5333  253.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
179.98139549,-151.53919265,134.36852834,68.17358423,-31.77168930,-179.47914496
210.10101128,184.19408375,252.54450925,1.80942847,1.15502522,-2.91922899

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442420/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.95773

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-2.44227

>  <SCORE.INTRA.DIHEDRAL>
3.95421

>  <SCORE.INTRA.DIHEDRAL.0>
4.90064

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.41938

>  <SCORE.INTRA.VDW.0>
6.08017

>  <SCORE.INTRA.norm>
-0.0842163

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.308887

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000847

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  201.0271  202.5893  258.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9755  201.4942  257.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7994  202.0557  256.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7267  201.1784  255.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9701  199.9981  255.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9489  199.0544  254.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6794  199.2730  253.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4418  200.4356  252.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4746  201.4020  253.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3015  202.5406  253.6821 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3193  203.7691  254.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3998  204.4711  253.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5059  205.7322  254.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4892  205.4478  255.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6055  204.3713  255.2702 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0222  203.6483  252.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3164  202.5022  252.7372 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3342  203.8280  252.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0349  205.0217  252.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1014  206.2233  252.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7196  207.3609  252.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2783  207.3230  253.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2474  206.1372  254.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6433  204.9911  254.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7222  203.5490  255.0221 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.1651  203.7647  255.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.65029246,43.01075095,-19.20556579,6.90382595,-106.51448900,203.44722058
203.37649943,254.37446975,2.96286614,-0.70614056,-2.13863373

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442421/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.16367

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-1.23633

>  <SCORE.INTRA.DIHEDRAL>
1.21032

>  <SCORE.INTRA.DIHEDRAL.0>
3.69622

>  <SCORE.INTRA.POLAR>
-0.00692466

>  <SCORE.INTRA.POLAR.0>
-0.75202

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.81795

>  <SCORE.INTRA.VDW.0>
-0.775822

>  <SCORE.INTRA.norm>
-0.0494531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.366547

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000035

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  219.4726  193.4425  232.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4588  192.5439  232.5096 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7529  191.7274  233.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8379  190.8306  233.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1645  190.0664  234.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3933  190.1666  235.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2953  191.0294  235.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9409  191.8411  234.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8823  192.7289  234.8637 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3585  193.0984  236.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2031  194.6338  236.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3656  195.2427  235.2041 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9158  194.7987  233.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1198  193.2686  233.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9363  194.8989  235.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1918  195.7788  236.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7527  195.6793  237.7001 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5954  196.7147  238.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8184  197.7351  237.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2092  196.4871  239.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8659  195.3740  240.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9667  194.4428  239.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3733  194.5776  238.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5473  193.7391  238.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6489  195.2014  241.5954 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.5004  196.6500  241.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1789  197.2556  240.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6346  197.2076  242.4782 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.7341  193.6415  240.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 27  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-58.46625676,-160.72058701,81.73656957,-59.65261552,100.85044599,216.27745018
194.39367364,237.21302297,-1.18214728,-0.48810900,1.19733917

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442422/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.22345

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-2.17655

>  <SCORE.INTRA.DIHEDRAL>
0.70619

>  <SCORE.INTRA.DIHEDRAL.0>
7.50843

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.52964

>  <SCORE.INTRA.VDW.0>
2.34041

>  <SCORE.INTRA.norm>
-0.0777339

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.293695

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000184

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  186.8579  215.7976  266.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1734  216.1755  265.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2236  215.2479  264.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5539  215.6104  263.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6078  214.6464  262.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9719  214.9229  261.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9270  214.0650  261.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8970  212.6850  261.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8848  211.8748  260.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9367  212.4099  259.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9877  213.7995  259.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9851  214.6225  260.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9239  211.5877  259.3881 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9557  210.2031  259.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2019  209.4471  260.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0774  209.5321  258.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8670  210.1976  258.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0293  208.1488  258.7894 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9747  207.3097  258.1811 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6597  212.0232  258.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3264  207.7685  259.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5498  206.9091  257.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1427  206.5144  258.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.88179490,179.85028947,-179.94135915,179.87765078,45.12416706,0.65024292
-0.36769088,-101.61630158,191.85762597,212.48662578,261.11800461,2.79692813
0.84996617,-0.37231030

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442423/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.7823

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.705263

>  <SCORE.INTRA>
-0.617699

>  <SCORE.INTRA.DIHEDRAL>
2.33927

>  <SCORE.INTRA.DIHEDRAL.0>
0.474871

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78733

>  <SCORE.INTRA.VDW.0>
1.83765

>  <SCORE.INTRA.norm>
-0.0325105

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.672753

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 70 72  0  0  0  0  0  0  0  0999 V2000
  213.0348  177.2919  250.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9826  176.3561  251.3288 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.4847  175.2509  250.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2371  174.0573  250.5231 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3046  175.7095  249.3759 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8776  174.8607  248.3270 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.6557  175.5031  246.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1043  174.6355  245.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3476  173.3364  245.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5231  173.1171  244.7996 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6930  172.4152  246.5932 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3639  174.7188  248.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2610  175.2902  248.0897 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6235  173.9466  249.7753 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1223  177.0945  251.8938 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0160  177.7778  253.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0220  177.6815  253.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1675  178.7769  253.3776 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.3143  177.8538  253.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5116  179.4547  252.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6147  180.3749  252.1354 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.9632  180.8514  250.6888 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.7139  181.5251  250.0506 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2691  182.6226  250.8707 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8544  182.1744  252.1843 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.0882  181.6192  252.9233 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.0900  182.6281  253.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1998  183.3498  252.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1178  184.4433  252.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9125  181.9626  248.7040 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5053  182.6093  247.9328 P   0  0  1  0  0  0  0  0  0  0  0  0
  216.3354  182.8714  246.6719 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8962  181.0883  247.7856 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0983  183.2559  247.1616 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1298  184.9829  247.2588 P   0  0  1  0  0  0  0  0  0  0  0  0
  214.9574  185.1366  245.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5429  185.0510  246.9124 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1612  186.7099  247.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7600  187.2213  248.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8381  188.7375  248.5733 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4322  189.4641  249.8572 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.0140  190.8525  249.6118 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.3058  190.5171  248.8175 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.1756  189.1821  248.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7061  191.4415  247.7583 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0227  191.4287  246.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3685  192.2065  245.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5184  193.1113  245.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9118  193.8026  244.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0943  193.1200  246.9240 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7752  192.3032  247.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4596  192.3325  248.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0655  191.6769  248.9334 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0133  188.8845  251.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5994  179.8429  249.8231 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9301  178.7778  249.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2809  177.9635  249.9031 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0844  178.7254  247.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6782  176.6560  249.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2289  171.5589  246.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.5582  173.8490  250.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9570  177.1899  251.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7169  183.4158  253.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2862  184.7339  252.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2618  181.0849  247.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2356  184.3062  246.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.9032  193.7187  247.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2713  191.7722  249.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7088  189.3619  251.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5668  179.6365  250.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 59  1  0  0  0  0
  6  7  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 60  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 61  1  0  0  0  0
 15 16  1  0  0  0  0
 15 62  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  6  0  0  0
 23 24  1  0  0  0  0
 23 30  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  1  0  0  0
 26 27  1  6  0  0  0
 27 63  1  0  0  0  0
 28 29  1  0  0  0  0
 29 64  1  0  0  0  0
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 31 32  2  6  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  6  0  0  0
 35 37  1  0  0  0  0
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 37 66  1  0  0  0  0
 38 39  1  0  0  0  0
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 43 44  1  0  0  0  0
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 46 47  2  0  0  0  0
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 50 67  1  0  0  0  0
 51 52  2  0  0  0  0
 53 68  1  0  0  0  0
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 55 56  1  0  0  0  0
 55 70  1  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
M  END
>  <CHROM.1>
-115.71407960,81.72124536,131.51778441,-174.72948844,-106.68896179,62.43821909
108.01556477,-178.56551281,-179.52540062,-75.26037102,-175.65722094,171.41627352
74.10822475,175.70794226,-57.43893356,176.51389909,64.24060895,179.30837321
-155.93153348,-75.03097461,86.91314389,-29.86236828,-65.44079313,179.70187168
179.77603860,-178.43945293,61.47163921,-75.82406999,-55.24446862,215.67149991
182.44634135,249.12310653,-1.13552462,-1.46578571,0.32882396

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442424/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.455172

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0.267651

>  <SCORE.INTRA.POLAR.0>
-2.65426

>  <SCORE.INTRA.REPUL>
-0.0202998

>  <SCORE.INTRA.REPUL.0>
0.0202998

>  <SCORE.INTRA.VDW>
-7.18044

>  <SCORE.INTRA.VDW.0>
-3.18974

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
58

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020140

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  198.5655  222.1687  262.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1461  223.5488  262.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0961  224.5854  261.8263 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2661  225.0545  263.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3698  226.1595  263.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3699  224.1379  263.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7691  225.7507  261.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7843  221.5200  261.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5732  221.3393  260.1327 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6766  220.2824  260.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4718  219.0836  260.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9275  220.8004  260.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6643  220.9151  259.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8738  221.8515  258.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8871  222.3847  258.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3572  222.2061  257.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2875  223.4120  257.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4313  223.1832  258.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6970  223.9208  258.9496 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1663  222.0881  257.7163 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8354  224.4252  264.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0432  226.4126  260.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2211  225.4631  260.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6101  220.1061  260.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0410  220.2060  258.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7947  221.8133  258.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <CHROM.1>
58.10131479,57.11473951,73.25128382,107.73274683,178.73482204,-179.89043084
68.34223068,72.90425702,79.68596617,-177.44017075,-73.16351294,-92.08747491
54.84580999,-123.54581578,-167.96667359,198.39130590,222.72556031,260.30034535
-2.22400528,1.16216719,-1.64059909

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442425/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.5353

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.87

>  <SCORE.INTRA>
-8.8647

>  <SCORE.INTRA.DIHEDRAL>
0.796941

>  <SCORE.INTRA.DIHEDRAL.0>
9.46985

>  <SCORE.INTRA.POLAR>
-1.41082

>  <SCORE.INTRA.POLAR.0>
-0.436518

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.46638

>  <SCORE.INTRA.VDW.0>
-0.145434

>  <SCORE.INTRA.norm>
-0.443235

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.426765

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007893

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  217.5911  189.6926  253.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7579  189.3259  255.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7505  190.3276  255.4424 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3871  190.0214  254.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1157  190.2440  253.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8595  190.6054  256.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3774  192.0047  257.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1686  193.0472  256.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9405  193.1859  255.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6913  193.4676  254.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5231  193.6364  253.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5975  193.6058  252.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8431  193.2057  253.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0173  193.0262  254.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4256  194.0440  251.0588 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2642  193.1773  250.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9323  191.7063  249.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2092  191.2838  248.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9503  189.9293  248.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3673  188.9762  249.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0294  189.3758  250.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3016  190.7265  250.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0383  187.3132  249.0865 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.9618  194.1955  250.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0667  193.1103  250.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7098  193.2492  250.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2174  194.4639  249.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0964  195.5364  249.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4344  195.4117  250.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7737  194.6485  249.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0018  195.3684  250.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5177  195.9228  251.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  6  0  0  0
 15 24  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
99.06246318,-74.97322353,153.10267833,-63.43843697,73.12076304,58.64845002
-142.70153075,66.04076705,-56.92690747,-58.50379902,102.40711695,214.93812643
191.93908186,252.07433794,-0.57596647,1.07028462,-2.25695140

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442434/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.73057

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496774

>  <SCORE.INTRA>
-6.66943

>  <SCORE.INTRA.DIHEDRAL>
5.89253

>  <SCORE.INTRA.DIHEDRAL.0>
4.03156

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.6157

>  <SCORE.INTRA.VDW.0>
4.18786

>  <SCORE.INTRA.norm>
-0.215143

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.281631

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000182

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 40  0  0  0  0  0  0  0  0999 V2000
  188.2924  211.7467  260.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0888  212.8905  259.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5425  213.7180  260.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2508  214.8301  260.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4665  215.1725  258.9712 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6686  215.6420  261.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9811  216.9272  261.4300 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8966  217.1680  262.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9643  217.0119  263.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5862  217.6946  261.5505 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.4628  219.2286  261.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4223  220.0044  260.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9491  220.4956  259.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8348  221.0929  258.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1866  221.2101  258.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6784  220.7204  260.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7971  220.1343  261.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4758  217.1803  260.1580 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1385  215.8761  259.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0014  214.9350  260.5861 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8460  215.5656  258.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2508  214.2990  258.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0233  213.8456  256.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3687  214.6611  255.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8915  215.9452  256.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1575  216.4025  257.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7568  217.6776  257.4657 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1392  217.8187  257.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7718  217.8619  258.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8897  217.8332  256.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2876  217.9023  256.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0513  217.9168  255.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4200  217.8785  253.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0262  217.8461  253.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2552  217.8280  255.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1212  217.4977  260.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.6831  217.8347  259.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2662  218.4624  257.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 38  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-178.14310558,2.84788335,-111.95083683,100.92790572,57.89109694,-97.45312884
73.05975447,74.08794744,98.61090432,-167.61884271,85.21584194,-93.05216041
-176.68319355,188.83348503,216.93866756,258.84727318,2.73209655,1.23734463
1.24039154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442435/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.95386

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525714

>  <SCORE.INTRA>
-20.3539

>  <SCORE.INTRA.DIHEDRAL>
-13.0606

>  <SCORE.INTRA.DIHEDRAL.0>
22.1088

>  <SCORE.INTRA.POLAR>
-1.39871

>  <SCORE.INTRA.POLAR.0>
-0.269931

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.06795

>  <SCORE.INTRA.VDW.0>
-1.17981

>  <SCORE.INTRA.norm>
-0.581539

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
-0.0558246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000224

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  211.4373  193.7193  245.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2326  192.9128  244.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6200  193.4722  242.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2163  194.7599  242.8524 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4244  195.5532  243.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0268  195.0503  245.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0076  196.9718  243.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4287  197.4805  242.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0939  198.8312  242.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3348  199.6479  243.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8998  199.0767  244.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2387  197.7722  244.9049 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
0.00301312,210.24690056,196.27071077,243.87074452,-0.87420800,-1.12843031
0.58539844

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442436/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39807

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0019275

>  <SCORE.INTRA.DIHEDRAL>
-0.00671675

>  <SCORE.INTRA.DIHEDRAL.0>
0.00784494

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00143087

>  <SCORE.INTRA.VDW.0>
-0.160749

>  <SCORE.INTRA.norm>
-0.000160625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.533173

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003845

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  205.3605  183.0851  249.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8748  184.5224  249.4807 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3669  185.0711  250.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9455  185.5263  251.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3885  184.6255  249.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2820  185.0049  248.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0835  185.9742  249.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4176  185.3887  248.3769 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1265  185.8800  248.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2761  185.6478  249.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8039  186.7509  247.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3841  185.9857  245.9643 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3728  185.2682  245.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5096  185.1924  245.8188 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8620  184.5573  244.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5240  184.7575  243.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0041  184.1496  242.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8146  183.3311  241.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1712  183.1171  242.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0125  182.2997  241.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3481  182.0722  241.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8762  182.6490  242.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0702  183.4548  243.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7112  183.7264  243.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3821  182.6900  240.7165 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4548  183.3592  239.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9741  185.4307  247.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  3  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
98.74755370,77.13912504,86.74115656,-71.16290921,4.83470624,2.19381828,36.60909391
204.72476221,184.41222462,245.70410377,-1.28057232,0.32625991,-1.91735611

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442437/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.03283

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-3.36717

>  <SCORE.INTRA.DIHEDRAL>
-2.67384

>  <SCORE.INTRA.DIHEDRAL.0>
9.7244

>  <SCORE.INTRA.POLAR>
-0.187223

>  <SCORE.INTRA.POLAR.0>
-0.426059

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.39369

>  <SCORE.INTRA.VDW.0>
3.31264

>  <SCORE.INTRA.norm>
-0.129506

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.347417

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010465

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  200.2437  202.7336  258.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2636  203.0921  259.3664 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8329  203.2727  260.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7439  203.6810  261.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0967  204.9036  261.2343 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0361  205.9450  262.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3454  207.1565  261.7554 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4939  208.0617  262.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2293  207.6168  263.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8535  206.0326  263.5955 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.9099  209.4008  262.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1636  210.2622  263.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4562  211.4592  264.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5719  211.8569  263.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4247  211.0675  261.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0958  209.8449  261.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8582  212.9903  263.3524 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6764  213.1631  262.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8094  212.1624  262.8829 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.0970  214.3165  263.0132 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.8383  207.5400  260.5059 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7539  206.5799  259.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5709  206.7221  258.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7442  205.5872  257.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9255  205.7712  255.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8606  207.0282  255.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6661  208.1282  256.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5603  208.0155  257.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5198  209.1671  258.3243 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2200  209.7686  258.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0804  207.1114  254.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0478  207.7446  253.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8915  204.2607  257.6353 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0707  203.6794  258.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
179.01027177,-58.62070380,-124.12378007,15.29661360,-176.48628614,-159.82866721
63.71618499,168.65642800,43.49027366,124.93025162,-99.29182478,196.77158748
207.81818994,260.29006817,-0.88369491,-1.02610288,1.24250028

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442439/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.33099

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.482353

>  <SCORE.INTRA>
-12.069

>  <SCORE.INTRA.DIHEDRAL>
-14.0716

>  <SCORE.INTRA.DIHEDRAL.0>
25.3939

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.103673

>  <SCORE.INTRA.REPUL.0>
0.103673

>  <SCORE.INTRA.VDW>
-4.51485

>  <SCORE.INTRA.VDW.0>
4.84203

>  <SCORE.INTRA.norm>
-0.354971

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.127382

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  180.5439  210.1787  268.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2495  210.4289  267.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3511  209.9371  267.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.5427  211.2593  266.5520 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.9124  211.6207  265.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1181  212.5319  264.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4633  212.9285  263.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6054  212.4091  262.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3826  211.4819  263.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0361  211.0907  264.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9643  212.8131  261.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0318  212.3608  260.5431 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8379  212.9897  259.3635 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.7725  213.8003  259.3088 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.2099  213.7010  260.5031 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.5843  212.6382  258.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6053  211.1616  257.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5495  210.8028  256.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5465  210.2978  258.9774 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.5377  208.8807  258.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2177  208.1516  260.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1313  206.7549  260.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3889  206.0704  258.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7552  206.7816  257.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8354  208.1804  257.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0482  206.0246  256.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9379  204.8128  256.3253 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4499  206.8684  255.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7546  206.2382  254.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6972  213.2255  265.2213 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  179.7373  211.7504  266.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.3768  210.6960  259.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-176.82332610,-179.25100509,49.56601777,142.53713242,-167.85188696,2.81968622
-179.95614808,182.30114576,210.33306839,261.06531691,-2.91059054,1.22506591
-0.70820839

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442440/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1296

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-2.27042

>  <SCORE.INTRA.DIHEDRAL>
0.0381124

>  <SCORE.INTRA.DIHEDRAL.0>
4.07703

>  <SCORE.INTRA.POLAR>
-0.706977

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00915144

>  <SCORE.INTRA.REPUL.0>
0.0123083

>  <SCORE.INTRA.VDW>
0.068487

>  <SCORE.INTRA.VDW.0>
0.535516

>  <SCORE.INTRA.norm>
-0.0756807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.337653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000460

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  199.7222  205.1292  249.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2468  205.2173  250.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3790  204.5449  248.9662 N   0  3  1  0  0  0  0  0  0  0  0  0
  197.7665  203.6088  248.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9538  204.3455  249.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0304  203.6887  248.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0640  204.4079  247.1682 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4212  204.5970  246.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3494  205.2940  247.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0360  205.2679  246.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5800  206.3700  247.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4821  207.1710  247.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8569  206.9350  245.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2999  205.8952  245.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3663  205.0818  245.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3938  207.8328  245.5144 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.4637  209.1097  246.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3240  207.7875  244.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1030  206.9415  246.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5896  205.8307  245.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5683  204.6482  245.3450 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.7717  204.1471  246.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2026  205.2932  247.7154 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2258  206.4685  247.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3629  204.8182  249.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1249  203.5176  244.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3165  206.7994  248.7227 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.4450  207.2758  248.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7611  206.6478  249.8183 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  9  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  3   3   1  27   1  29  -1
M  END
>  <CHROM.1>
49.27375969,55.33732243,27.80422828,-86.87774290,192.88415874,205.86155505
247.15361171,-0.16796857,-0.39429263,-0.03362611

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442441/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.37986

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-2.02014

>  <SCORE.INTRA.DIHEDRAL>
0.369856

>  <SCORE.INTRA.DIHEDRAL.0>
2.10384

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.20507

>  <SCORE.INTRA.VDW.0>
-1.34093

>  <SCORE.INTRA.norm>
-0.0721479

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.263566

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000570

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  203.2077  189.8152  241.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6801  190.3808  240.2604 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7512  189.3867  241.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7750  189.6450  239.7786 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.7290  187.5976  241.5033 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.9141  190.1798  242.5992 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.1630  189.5508  242.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6158  188.8053  243.9263 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.4910  188.5167  241.7877 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.8672  191.1516  242.8853 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
1.12367534,178.29899860,202.96522943,189.41687444,241.91049720,-2.69666585
0.10584223,1.60625605

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442447/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24326

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-1.15674

>  <SCORE.INTRA.DIHEDRAL>
-0.0375266

>  <SCORE.INTRA.DIHEDRAL.0>
1.48239

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13798

>  <SCORE.INTRA.VDW.0>
-1.66869

>  <SCORE.INTRA.norm>
-0.115674

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.624326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015327

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  199.8094  211.9609  243.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6275  211.2701  242.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5134  211.5396  241.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5312  212.5091  241.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7581  213.2085  243.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8802  212.9251  243.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8654  214.1967  243.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7402  214.5188  242.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4885  213.8423  241.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3559  212.8341  241.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0471  212.1043  239.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8485  211.4462  239.1435 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7731  212.2098  239.3403 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3569  214.1900  240.8549 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6204  211.7173  238.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2417  213.5692  240.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-172.92363133,-17.22949177,-179.63439567,196.94386662,212.75612580,241.60738520
-0.43907056,0.52889982,-2.19681404

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442450/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.26366

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-1.13634

>  <SCORE.INTRA.DIHEDRAL>
1.18754

>  <SCORE.INTRA.DIHEDRAL.0>
0.000559006

>  <SCORE.INTRA.POLAR>
-0.161568

>  <SCORE.INTRA.POLAR.0>
-0.784277

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.18078

>  <SCORE.INTRA.VDW.0>
1.51772

>  <SCORE.INTRA.norm>
-0.0811671

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.375976

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023454

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  214.7058  182.9459  244.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2719  184.2291  244.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3460  185.2831  243.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7749  186.5203  243.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1113  186.6872  243.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0515  185.6593  243.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6211  184.4164  243.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6958  183.3725  243.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1898  187.9965  242.7104 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9383  188.5405  242.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0592  187.6716  243.2491 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3993  188.6938  242.3346 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.3257  189.1072  243.4838 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.6451  189.2521  242.7349 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.5751  188.0933  241.7212 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.1768  187.8638  241.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3045  188.3258  240.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6974  189.4176  239.7027 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6818  190.5549  242.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4557  188.1438  244.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7042  190.1709  240.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6503  191.2320  242.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5944  187.9817  244.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12  9  1  1  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  1  0  0  0
 14 15  1  0  0  0  0
 14 19  1  6  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
-74.65148434,-61.48539993,61.99588784,-63.52611097,54.75118753,217.25494607
187.22298855,242.84100455,-2.27198686,0.29322057,-0.25558111

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442451/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.58522

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-5.81478

>  <SCORE.INTRA.DIHEDRAL>
-7.4177

>  <SCORE.INTRA.DIHEDRAL.0>
10.5778

>  <SCORE.INTRA.POLAR>
-0.0138684

>  <SCORE.INTRA.POLAR.0>
-0.816272

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.05878

>  <SCORE.INTRA.VDW.0>
-0.0472357

>  <SCORE.INTRA.norm>
-0.290739

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.0792608

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000567

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  205.1120  192.1600  251.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9681  192.6320  252.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0601  193.7048  253.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2990  194.3143  253.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4483  193.8269  252.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3484  192.7560  251.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3885  195.4824  254.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1024  196.6863  253.5346 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1867  197.7851  254.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8933  199.0854  253.6555 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.9857  200.3443  254.5317 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.1637  201.3039  253.6803 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.0265  200.3272  253.2561 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.5973  199.0434  253.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2604  200.7465  251.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3727  200.9561  250.3932 Se  0  0  0  0  0  0  0  0  0  0  0  0
  203.9464  199.0925  250.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0081  198.0510  250.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4272  196.7128  250.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7833  196.4055  250.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7231  197.4353  250.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3073  198.7736  250.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9407  201.7563  252.5713 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4392  203.0020  252.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2091  203.4786  250.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6309  203.4120  249.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3725  203.7898  248.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6855  204.2501  248.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2637  204.3341  249.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5315  203.9432  251.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3495  200.7034  254.7263 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4977  201.8168  255.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9661  202.1804  255.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7700  201.7643  256.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1277  202.1127  256.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6939  202.8774  255.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9058  203.2979  254.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5499  202.9540  254.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  6  0  0  0
 12 13  1  0  0  0  0
 12 23  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
-85.28246845,-179.93387194,179.14755533,-178.92642273,-176.80929759,-156.52495224
58.08399297,61.90751078,59.24390988,-178.20673296,106.27508180,-176.57155446
-98.89172167,205.33627449,199.72101731,252.34229765,-1.96772878,-0.87515387
-0.24048382

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442453/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.1648

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.484211

>  <SCORE.INTRA>
-5.23521

>  <SCORE.INTRA.DIHEDRAL>
0.0205847

>  <SCORE.INTRA.DIHEDRAL.0>
5.48288

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.2455

>  <SCORE.INTRA.VDW.0>
-3.27681

>  <SCORE.INTRA.norm>
-0.137769

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.346442

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.055212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  200.5653  193.0630  241.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9279  192.7895  241.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6195  193.8016  240.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8952  193.5621  239.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4803  192.2981  239.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7981  191.2883  240.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5295  191.5347  241.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6303  194.7147  239.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1981  195.8527  239.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9269  194.3292  238.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8216  195.3199  238.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7691  194.9301  237.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7897  195.8145  237.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8800  197.0699  237.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9421  197.4606  238.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9048  196.5734  239.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1357  198.6962  239.6539 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.7939  199.3812  239.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7698  198.2225  240.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0425  199.7238  238.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
1.23951358,-173.47432213,-145.52575614,144.65418522,205.74501240,195.40673470
239.54082313,2.55828518,-0.55099718,-2.77609134

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442454/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.24866

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-5.15134

>  <SCORE.INTRA.DIHEDRAL>
-10.7302

>  <SCORE.INTRA.DIHEDRAL.0>
13.8629

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.213762

>  <SCORE.INTRA.VDW.0>
2.82133

>  <SCORE.INTRA.norm>
-0.257567

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.212433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000386

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  196.8573  215.2444  257.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8779  216.2823  257.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2477  215.8383  258.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2662  216.8853  259.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6049  216.3846  260.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5886  217.3768  261.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8989  216.7303  262.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7576  217.5720  262.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4592  217.8707  261.6968 P   0  0  0  0  0  0  0  0  0  0  0  0
  188.7012  216.1846  261.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6506  215.2530  260.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0016  215.7661  259.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0538  214.8494  258.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5233  215.3362  257.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5868  214.3902  256.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0761  214.8448  255.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1339  213.9010  254.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1557  218.7039  262.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5655  220.1241  263.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5052  220.8154  263.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9762  222.2219  264.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9497  222.9642  265.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4597  224.3600  265.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4447  225.1274  266.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9592  226.5135  266.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.79492626,177.30707910,-178.89587050,175.05953491,-173.77271090,59.26083593
70.67861277,-73.26467563,72.32452375,-58.86051081,174.67720968,-176.60331041
179.18885490,179.79319592,179.91499178,-179.31170501,179.19590936,179.65193897
179.44484786,179.52532632,179.68461566,190.80303493,218.05689529,261.00851831
-1.01873299,0.30763542,0.57796032

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442455/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
24.3095

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.056

>  <SCORE.INTRA>
-2.0905

>  <SCORE.INTRA.DIHEDRAL>
0.0841253

>  <SCORE.INTRA.DIHEDRAL.0>
1.22171

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.13256

>  <SCORE.INTRA.VDW.0>
-3.06971

>  <SCORE.INTRA.norm>
-0.0836201

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.97238

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029191

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  207.4544  200.2894  243.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5805  200.4334  245.4619 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4951  201.5336  246.0198 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.5595  202.4240  246.8291 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3451  201.5372  247.1232 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.2589  200.6070  246.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2987  200.7839  248.3598 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1403  200.4357  249.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3793  199.7780  250.1296 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7511  199.6720  250.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6254  199.0968  251.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9578  199.1847  250.9148 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3892  199.8099  249.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6524  200.4118  248.8511 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3382  200.2941  249.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1968  198.4666  252.2893 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1682  203.0300  247.9644 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2827  202.2993  245.1255 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9190  202.3517  243.5769 P   0  0  1  0  0  0  0  0  0  0  0  0
  209.9251  203.0089  242.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5443  200.8336  243.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5166  203.1231  243.5837 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7144  197.5922  252.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7590  199.1215  252.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5125  202.3126  248.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6486  204.0307  243.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  6  0  0  0
  4  5  1  0  0  0  0
  4 17  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <CHROM.1>
-58.18088902,150.93790699,68.89693050,64.24909833,207.76743046,201.02143297
247.02138664,1.38020769,-0.11414316,-1.22245668

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442456/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1603

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-1.2397

>  <SCORE.INTRA.DIHEDRAL>
-1.74563

>  <SCORE.INTRA.DIHEDRAL.0>
4.6728

>  <SCORE.INTRA.POLAR>
-0.128112

>  <SCORE.INTRA.POLAR.0>
-0.816793

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0686963

>  <SCORE.INTRA.VDW.0>
-2.06594

>  <SCORE.INTRA.norm>
-0.0563498

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.280014

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005304

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  214.9691  205.8457  252.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9499  205.3477  251.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8946  206.5240  251.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5649  204.1530  252.2954 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7909  203.0352  252.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1488  202.0598  253.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5481  200.7897  253.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3769  200.5893  252.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0172  201.5962  251.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7711  202.7417  251.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5033  199.3507  252.6171 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3521  198.0774  252.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1834  198.1121  251.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2862  198.3176  249.9541 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.7641  197.4520  249.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.5997  199.0846  250.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0492  198.6599  248.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8077  199.9685  248.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8266  200.6346  249.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3963  201.9616  249.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5232  202.4128  248.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7758  201.9497  247.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3783  200.6989  247.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0232  203.6749  248.9238 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2779  204.2025  248.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9342  203.2768  249.7274 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7490  199.2614  253.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3840  199.4128  255.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6602  199.2398  256.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2792  199.0837  256.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6232  199.0467  255.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3642  199.0599  253.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5637  199.0727  257.4871 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  1  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
71.14757015,-156.49036547,-55.07351591,-50.27432368,-50.64703949,-57.59203526
-72.70539640,-64.32601861,51.97713373,214.79840629,201.27044865,251.82322650
-0.00065510,0.99063635,0.65418438

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442457/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.89292

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-6.50708

>  <SCORE.INTRA.DIHEDRAL>
1.44573

>  <SCORE.INTRA.DIHEDRAL.0>
3.2541

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.22995

>  <SCORE.INTRA.VDW.0>
1.79356

>  <SCORE.INTRA.norm>
-0.209906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.25461

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  201.8217  196.2560  247.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9839  196.5485  246.9014 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2272  197.8803  246.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4295  198.2912  245.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7408  199.6402  245.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8622  200.5578  246.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6975  200.1536  247.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3757  198.8021  247.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8842  201.0809  248.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2373  202.4233  248.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3578  203.3494  249.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1610  202.9364  250.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8402  201.5896  251.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6937  200.6801  249.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3222  203.7447  251.9241 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0990  204.8888  251.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8779  206.0369  251.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7234  204.6557  249.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9144  205.3842  248.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4305  197.4508  244.1923 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7539  196.4970  244.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0773  195.5339  244.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-127.58692556,29.62731223,0.11023538,56.03599529,30.27454594,203.59537867
200.65772006,248.03581564,2.24942141,-1.33395487,-1.87017837

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442458/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.04847

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-1.35153

>  <SCORE.INTRA.DIHEDRAL>
-0.0274904

>  <SCORE.INTRA.DIHEDRAL.0>
9.27118

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.33778

>  <SCORE.INTRA.VDW.0>
3.4494

>  <SCORE.INTRA.norm>
-0.061433

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.411294

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004121

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  188.0772  207.6616  246.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8325  208.2333  247.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7625  207.1755  247.7044 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1672  206.0184  247.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1538  206.2022  246.3791 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7144  204.4316  247.5857 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.7552  204.0844  249.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0390  205.0598  250.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9749  204.7469  251.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2722  205.6609  252.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6199  206.8985  252.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6707  207.2223  251.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3880  206.3034  250.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9373  207.8714  253.2888 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.7980  207.5517  254.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3326  208.9484  253.2799 O   0  5  0  0  0  0  0  0  0  0  0  0
  190.9200  207.2925  248.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5385  206.3389  248.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5046  208.6456  248.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3564  209.6260  247.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9038  210.9011  247.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6776  211.1925  249.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9011  210.2087  249.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3149  208.9388  249.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6813  207.7079  251.2498 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <CHROM.1>
87.29446357,-61.08033482,-95.74346847,-30.89082395,190.59896710,207.31277983
249.85421440,-2.49451392,0.91294116,1.84190593

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442459/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61898

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-2.78102

>  <SCORE.INTRA.DIHEDRAL>
-0.70118

>  <SCORE.INTRA.DIHEDRAL.0>
8.49961

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.43043

>  <SCORE.INTRA.VDW.0>
-2.16664

>  <SCORE.INTRA.norm>
-0.111241

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.264759

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000583

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  173.3973  211.6324  266.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.5172  210.9315  265.9726 C   0  0  1  0  0  0  0  0  0  0  0  0
  175.8418  211.6848  266.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.8890  211.2838  265.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1860  212.0444  265.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.2198  211.6257  264.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5113  212.3812  264.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5281  211.9458  263.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8267  212.6997  263.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8482  212.2611  262.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1459  213.0251  262.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1881  212.6050  261.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4757  213.3956  262.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5591  213.0139  261.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8633  213.7603  261.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1035  214.9902  260.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3334  215.6443  260.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3415  215.1150  261.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1077  213.8687  262.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8841  213.2083  261.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5232  215.8677  261.6976 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3600  215.3038  262.4291 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4766  216.0488  262.6704 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4909  215.4681  263.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7221  216.3445  264.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0069  217.7932  264.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9129  218.3400  263.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6721  217.4262  262.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.6655  209.4764  266.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.5496  208.6602  265.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.6252  208.1532  265.8627 O   0  0  0  0  0  0  0  0  0  0  0  0
  174.9957  208.5612  264.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
  175.7863  207.8168  263.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
-163.66531534,168.11242797,-179.31754644,179.42291805,179.73109580,179.94848959
-179.93220322,179.80187916,179.55203211,-179.91705127,179.82144962,-179.97154565
179.95668520,-88.57188004,-179.42607404,179.00449314,116.41209083,179.21065485
185.39948427,213.04710096,263.50858930,3.08969998,-0.33158253,-2.16013318

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442460/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.2083

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.709091

>  <SCORE.INTRA>
-3.1917

>  <SCORE.INTRA.DIHEDRAL>
-0.868944

>  <SCORE.INTRA.DIHEDRAL.0>
4.31196

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.75723

>  <SCORE.INTRA.VDW.0>
3.23592

>  <SCORE.INTRA.norm>
-0.0967183

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.612373

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017693

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  195.7128  204.8489  249.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5733  205.7204  248.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7358  206.3815  249.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5845  207.2315  248.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1565  208.3001  247.5720 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2481  208.7887  246.8411 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4363  208.0700  247.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5720  208.2238  246.6197 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9960  206.9631  247.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7462  205.9095  248.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0702  205.6997  247.9517 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8033  204.5116  248.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1468  204.4963  247.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9382  203.3568  247.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3850  202.2182  248.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0586  202.2172  248.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2775  203.3636  248.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3459  200.8054  248.6555 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.0208  209.7928  245.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0744  210.2604  245.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8731  211.3085  244.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6211  211.9004  244.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5619  211.4519  244.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7593  210.3932  245.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4345  212.9225  243.2174 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.5485  206.4645  247.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
179.56668377,63.42928498,-176.66219584,177.85804486,200.60908595,206.70693196
247.18600127,2.15668415,0.28708986,-0.56583520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442461/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.96688

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.43312

>  <SCORE.INTRA.DIHEDRAL>
-2.80686

>  <SCORE.INTRA.DIHEDRAL.0>
3.02511

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0296832

>  <SCORE.INTRA.VDW.0>
-0.703675

>  <SCORE.INTRA.norm>
-0.0573246

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.318675

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000113

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  214.9753  199.2803  245.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1925  197.9242  245.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0880  197.1589  244.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2270  195.8981  244.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5175  195.3680  243.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6220  196.1393  244.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4658  197.4014  244.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8560  194.0224  243.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5577  192.8556  244.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2647  193.7588  241.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1426  195.1504  243.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2189  194.8114  244.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8141  193.9032  245.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6324  192.6858  245.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6153  194.5563  246.6446 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2634  193.7972  247.5636 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0312  194.3903  248.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7256  193.5919  249.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5760  192.2067  249.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2860  191.4579  250.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1087  192.0837  251.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2770  193.4686  251.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5756  194.2221  250.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9318  191.3219  252.2091 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6919  195.5665  246.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.4628  190.6044  251.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.4596  190.9669  253.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
-58.74366692,-75.01535893,-64.51130830,-97.96544160,178.84033370,1.41693776
47.09840091,215.13118459,194.44651346,246.56045979,-2.18628906,1.08082804
2.58069589

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442462/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.60179

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-2.79821

>  <SCORE.INTRA.DIHEDRAL>
2.40745

>  <SCORE.INTRA.DIHEDRAL.0>
3.65277

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.00194

>  <SCORE.INTRA.VDW.0>
0.897728

>  <SCORE.INTRA.norm>
-0.116592

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.400074

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  201.8246  228.1885  257.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4303  227.0627  258.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8763  225.9199  257.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5755  227.6277  259.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1199  226.6372  260.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0654  226.1702  261.3209 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5720  224.9941  262.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7314  227.3401  262.1552 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4655  227.2143  262.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6877  228.1670  261.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
171.41341709,-60.89324721,169.07911163,160.55136123,202.83857878,226.80164247
260.17026324,1.62518641,0.88172216,-1.44785802

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442463/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.00076

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-1.39924

>  <SCORE.INTRA.DIHEDRAL>
1.31774

>  <SCORE.INTRA.DIHEDRAL.0>
0.114999

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.05811

>  <SCORE.INTRA.VDW.0>
3.53553

>  <SCORE.INTRA.norm>
-0.155471

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.888973

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037753

$$$$
rDock on collection 9274/Array of sdfs_000214.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  209.3626  201.0352  248.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2768  200.4298  247.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3782  199.3876  247.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9060  199.8417  247.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3890  198.7842  247.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1322  198.2445  247.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3591  198.7480  246.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8742  199.8034  245.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1318  200.3442  246.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0443  198.1839  246.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2574  198.5479  245.2088 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1084  197.7785  245.3788 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3087  197.0222  246.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4725  197.2411  247.0610 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1573  196.1969  246.9651 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.8682  197.0339  246.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8581  198.0803  248.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1789  197.4672  249.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3927  196.6521  249.3994 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3975  195.6118  248.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5364  196.8018  250.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4864  196.0260  250.0367 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6187  197.9727  251.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4394  199.1993  250.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9788  199.7322  249.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2578  200.3405  251.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9345  198.8338  250.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
-61.60850459,-176.36162676,-46.15334184,-99.99610124,53.71319500,204.09098712
198.34276255,248.09387423,-0.08686862,0.38515782,1.44015925

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442464/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.07911

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-1.32089

>  <SCORE.INTRA.DIHEDRAL>
1.0654

>  <SCORE.INTRA.DIHEDRAL.0>
3.46704

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.85359

>  <SCORE.INTRA.VDW.0>
-1.43401

>  <SCORE.INTRA.norm>
-0.0489217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.336263

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007746

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  212.2021  185.7359  243.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8172  184.3376  243.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4225  184.3116  242.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0277  182.9285  242.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0489  182.5552  240.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6580  181.1614  240.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6473  180.8445  239.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3528  180.2740  241.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3448  180.7102  242.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6258  182.0026  243.1821 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0290  179.8654  243.8652 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7150  178.6246  243.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6193  177.9692  242.4764 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4644  177.7541  244.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7226  178.0181  245.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4563  176.9680  246.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6887  177.1796  247.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2005  178.4501  248.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4966  179.5188  247.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2689  179.3041  246.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4333  178.6464  249.2512 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.5418  182.2538  244.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.8706  178.6003  241.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6964  177.5900  242.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.6590  176.7812  244.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-179.77462386,-103.65687754,-0.78702266,2.06079288,173.96467866,208.76007231
180.34947733,244.16298976,-0.20147672,1.07044971,0.95969117

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442465/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.01587

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-1.38413

>  <SCORE.INTRA.DIHEDRAL>
-3.37483

>  <SCORE.INTRA.DIHEDRAL.0>
4.76497

>  <SCORE.INTRA.POLAR>
-0.0690918

>  <SCORE.INTRA.POLAR.0>
-0.612634

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.538195

>  <SCORE.INTRA.VDW.0>
-1.21015

>  <SCORE.INTRA.norm>
-0.0659111

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.429327

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  193.0919  216.0040  257.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9561  216.8836  257.5701 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.9098  216.3236  257.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1226  218.1163  257.5669 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.1799  216.7671  256.8698 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.6990  215.4024  255.9531 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.3444  215.0949  258.0538 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END
>  <CHROM.1>
-173.41395935,192.67169277,216.32594580,257.26879152,0.63071687,-0.36535034
-3.09396150

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442466/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39986

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-0.000135451

>  <SCORE.INTRA.DIHEDRAL>
-0.000345128

>  <SCORE.INTRA.DIHEDRAL.0>
2.4

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
3.71133e-05

>  <SCORE.INTRA.VDW.0>
-0.25101

>  <SCORE.INTRA.norm>
-1.93501e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.914266

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.112193

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  226.1695  188.2081  241.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0608  189.2491  241.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7608  189.6340  240.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6390  190.6750  239.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3089  191.0933  238.5419 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.7283  189.9412  237.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5638  190.2589  236.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3958  192.3384  238.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1294  192.0862  239.2489 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.5851  191.4067  238.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.5794  192.9419  239.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.55575274,179.84301613,65.07710988,-172.25385334,-61.04974774,-65.54110195
223.49768422,190.39123758,239.27413224,-0.44783909,0.79778865,-1.92621233

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442474/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.6642

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
-0.735778

>  <SCORE.INTRA.DIHEDRAL>
0.219056

>  <SCORE.INTRA.DIHEDRAL.0>
0.496912

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.845306

>  <SCORE.INTRA.VDW.0>
0.784251

>  <SCORE.INTRA.norm>
-0.0817531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.18491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035948

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  198.8289  202.8628  246.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8442  202.0159  244.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1251  202.3609  243.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1842  201.4659  242.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9287  200.3021  242.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6453  199.9808  243.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6025  200.8345  245.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5552  201.6583  241.5158 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8434  202.7825  241.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7084  203.7230  242.3170 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3429  203.5201  243.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1930  204.5035  244.4665 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0175  205.7240  244.4653 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4596  206.7596  243.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5386  206.3286  242.0932 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9865  206.2957  245.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7706  206.4853  246.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7469  206.9575  247.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9388  207.2614  248.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1521  207.1038  247.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1782  206.6275  246.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1598  202.9901  240.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2202  202.0318  239.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5630  202.2252  237.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8314  203.3879  237.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7570  204.3571  238.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4123  204.1578  239.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2114  204.7368  244.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9825  205.5271  242.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  6  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 29  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
1.59256950,98.24665115,80.37804173,-65.25801165,-49.76593600,62.48154496
197.46155331,203.91934695,243.29049600,-1.06976719,1.02445320,-2.43744443

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442475/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.77296

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-5.62704

>  <SCORE.INTRA.DIHEDRAL>
-7.4629

>  <SCORE.INTRA.DIHEDRAL.0>
9.19842

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.89559

>  <SCORE.INTRA.VDW.0>
-1.06741

>  <SCORE.INTRA.norm>
-0.208409

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.176776

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  211.2358  207.5272  250.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9903  207.9971  250.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8305  207.4752  249.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8723  206.4435  248.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1506  205.9785  248.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3162  206.5269  249.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6095  205.8644  248.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6352  205.2789  247.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5013  204.7158  246.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2794  204.7321  247.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1944  205.3046  248.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3459  205.8524  248.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1430  206.3935  250.3246 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.7501  205.8579  251.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3462  207.3341  250.4287 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
154.14308747,207.75536884,206.23347039,249.09093710,-0.40057820,-0.16797391
-2.06912697

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442476/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25127

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.148727

>  <SCORE.INTRA.DIHEDRAL>
-0.601835

>  <SCORE.INTRA.DIHEDRAL.0>
1.5621

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.15219

>  <SCORE.INTRA.VDW.0>
-0.686823

>  <SCORE.INTRA.norm>
-0.00991516

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.416752

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012743

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 27  0  0  0  0  0  0  0  0999 V2000
  194.5224  217.2381  246.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6699  218.2031  246.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7506  218.0325  246.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8304  219.0791  246.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8903  218.9592  245.4817 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5975  220.1549  246.8945 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5174  220.2981  247.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3994  221.2337  248.4927 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5760  219.3164  247.6136 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0570  216.8830  245.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5454  216.8457  243.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7299  218.0186  242.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9803  215.5296  243.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3680  215.4780  242.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0051  214.4455  244.1379 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8500  213.5453  244.3547 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6895  212.5167  243.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4534  213.1757  241.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8289  212.8681  245.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6658  214.1604  247.0309 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.3811  214.7671  247.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3548  216.2305  248.2343 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.0540  216.8055  248.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3254  220.8464  246.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7851  219.4345  248.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9137  214.0252  244.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3651  212.4820  241.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
137.58952005,176.67931450,90.07006884,79.34056886,-61.51771075,63.22166158
179.73130760,-79.64736623,172.55946108,-172.83533602,197.28923775,216.51789220
245.80354050,2.47647480,1.53556432,-0.31946972

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442477/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.52117

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-8.87883

>  <SCORE.INTRA.DIHEDRAL>
-11.7246

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.35805

>  <SCORE.INTRA.VDW.0>
-1.57155

>  <SCORE.INTRA.norm>
-0.386036

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.240051

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000460

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 40  0  0  0  0  0  0  0  0999 V2000
  185.8481  199.6058  261.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6833  200.4595  261.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1293  201.4513  260.5231 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.9494  202.2615  261.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1699  202.3283  260.0048 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5368  202.3055  258.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9444  201.6772  257.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7556  203.0778  258.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3055  203.1895  257.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7714  204.0635  257.1894 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.6256  204.1633  258.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4907  203.6997  259.4008 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8037  204.6520  259.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9369  203.9736  261.0398 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3693  202.5637  260.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2552  201.5642  261.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6819  201.6760  262.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6213  202.5321  262.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1599  202.6938  264.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8126  202.0247  265.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8802  201.1705  265.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3026  200.9914  263.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3536  202.2517  266.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0391  201.1024  267.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1077  203.5250  264.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8116  203.0100  264.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8842  204.7070  261.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
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  189.7686  204.5925  265.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7666  203.8256  266.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8055  203.3264  265.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8356  203.5826  263.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7306  203.5089  267.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4972  204.1120  268.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6823  201.9797  267.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9830  204.0687  268.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7990  202.8142  260.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
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 15 16  1  0  0  0  0
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 34 35  1  0  0  0  0
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M  END
>  <CHROM.1>
178.93959068,116.24618419,179.93065559,-144.61000336,70.65089809,-111.05719843
164.36489284,-57.15605530,87.16257584,77.05429362,127.62450100,-77.25056585
0.36298723,188.19908174,202.85824784,262.64017233,2.02690389,-0.41191316
-1.44005473

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442478/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.497297

>  <SCORE.INTRA>
-10.6177

>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-15.6405

>  <SCORE.INTRA.VDW.0>
7.43572

>  <SCORE.INTRA.norm>
-0.286964

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.210333

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  194.2886  202.2939  249.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0573  203.5938  250.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6572  203.4259  251.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2191  204.4920  252.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1936  205.3295  252.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9673  206.5299  253.5801 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.6112  206.3256  254.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5757  205.3985  255.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0059  204.5955  254.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2522  205.1491  256.2933 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1587  207.1413  256.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8010  207.8030  256.9004 N   0  0  0  0  0  0  0  0  0  0  0  0
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  192.8518  208.9075  252.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7255  209.8349  252.0425 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9956  209.2879  251.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2083  209.8108  251.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3568  209.0189  251.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
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  194.9179  208.0003  252.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.9627  211.5376  250.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4387  212.6520  249.9800 O   0  0  0  0  0  0  0  0  0  0  0  0
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  194.7263  209.4302  247.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7849  210.7556  248.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2654  205.0655  251.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2384  205.7291  251.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5499  203.8746  250.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
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  194.6798  204.7832  257.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8253  205.9401  256.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
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 11 12  3  0  0  0  0
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 20 21  2  0  0  0  0
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M  END
>  <CHROM.1>
119.90268008,65.38450715,-134.23851130,-135.19274266,194.18556362,207.35883139
251.82628644,2.55086674,1.48150656,1.57067425

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442479/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.26928

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
-2.96509

>  <SCORE.INTRA.VDW.0>
-2.86136

>  <SCORE.INTRA.norm>
-0.125173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.159675

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006320

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  216.6562  186.4848  241.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5189  185.3273  241.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7095  185.4802  240.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9100  183.9769  241.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7062  182.9050  240.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2573  181.6292  240.6315 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
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0.17650931

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442480/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
6.39851

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.710946

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002567

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  161.4791  232.9617  271.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
  161.1479  233.9052  270.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
  160.5899  233.3871  269.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  159.2514  233.7016  268.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
  158.6668  233.2348  267.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
  159.4099  232.4307  266.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  160.7169  232.0709  267.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  161.3010  232.5423  268.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
  158.6373  231.8196  265.2341 Br  0  0  0  0  0  0  0  0  0  0  0  0
  158.3074  234.6916  270.0423 S   0  0  0  0  0  0  0  0  0  0  0  0
  157.1442  235.1766  269.3254 O   0  0  0  0  0  0  0  0  0  0  0  0
  158.2332  233.9624  271.2905 O   0  0  0  0  0  0  0  0  0  0  0  0
  159.2864  236.0868  270.3341 N   0  0  0  0  0  0  0  0  0  0  0  0
  159.4290  236.9421  269.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
  158.4572  237.9162  268.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
  158.5859  238.7884  267.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
  159.7000  238.7241  266.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  160.6905  237.7612  267.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  160.5403  236.9062  268.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
  161.6608  236.1193  268.3148 N   0  0  0  0  0  0  0  0  0  0  0  0
  162.4998  236.3665  267.2884 N   0  0  0  0  0  0  0  0  0  0  0  0
  161.9166  237.3845  266.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  160.2089  235.7402  270.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
  161.9025  235.3900  268.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
113.14883907,163.65656522,67.47943161,85.35413280,159.59265015,234.50944155
268.06584698,0.59347191,1.39105861,1.49698240

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442481/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.86784

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-7.53216

>  <SCORE.INTRA.DIHEDRAL>
3.22245

>  <SCORE.INTRA.DIHEDRAL.0>
2.59456

>  <SCORE.INTRA.POLAR>
-1.55922

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.84203

>  <SCORE.INTRA.VDW.0>
-0.0523799

>  <SCORE.INTRA.norm>
-0.342371

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.0849017

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 53  0  0  0  0  0  0  0  0999 V2000
  215.4947  200.6713  258.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4717  199.3712  259.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3867  198.1852  258.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2343  196.8886  259.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2465  195.7039  258.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0571  194.4128  259.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0881  193.2290  258.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9538  191.9363  259.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9521  190.7549  258.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7031  190.7876  257.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6795  189.5812  256.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4658  189.6466  255.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3396  188.3548  254.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1642  188.4482  253.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0103  187.1602  252.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7599  187.2424  251.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6447  187.4622  252.8548 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5022  187.8595  252.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4179  188.3899  253.0284 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.9680  189.5326  253.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1051  190.1094  254.9515 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8854  191.0851  255.9912 P   0  0  1  0  0  0  0  0  0  0  0  0
  207.6737  192.1963  255.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7069  191.5650  256.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7430  190.1593  256.9907 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4505  190.8225  258.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5831  191.8289  257.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3786  192.3119  258.9035 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.4576  193.0729  259.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0243  191.1421  259.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4911  193.2688  258.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2892  188.8544  252.2421 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1433  189.1007  252.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0031  188.8581  254.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0642  189.7568  252.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5220  191.1684  251.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6920  192.1037  252.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8937  193.5501  252.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2182  194.4498  253.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6057  194.1461  254.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9684  195.1187  255.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4573  194.7225  256.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8202  195.6721  257.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2694  195.5641  257.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0997  196.6190  257.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5479  196.5094  258.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7801  196.8968  259.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6417  197.8531  260.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8517  198.2128  261.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3111  198.0241  261.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5731  198.5761  263.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0228  198.3368  263.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2504  198.7607  265.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1136  192.1911  256.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  6  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  CHG  1  28   1
M  END
>  <CHROM.1>
-174.79160382,-176.12115694,-178.49542400,-179.24339442,177.76353006,178.67675943
-66.42485541,-178.14789240,-177.30077829,-172.46398681,-177.35261263,-179.37249325
175.15253772,-58.48582698,166.32516717,-167.38474957,54.41666477,-176.34968234
167.25914734,169.44646102,54.45130055,-72.01714186,-176.49232697,-63.25446395
-172.13348911,-62.84390347,-6.20040510,-66.92975957,-63.49775314,-169.54332932
-173.64645805,69.66792998,174.54113533,131.38488855,-119.75633326,125.83744518
-98.23665076,-124.22070532,121.35975212,171.81438148,177.85115833,-174.39806377
209.74587642,192.85443173,256.78076119,0.86386607,-0.33388365,0.50772755

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442490/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
37.5927

>  <SCORE.INTER>
46.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
41

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.875472

>  <SCORE.INTRA>
-8.80732

>  <SCORE.INTRA.DIHEDRAL>
-4.17448

>  <SCORE.INTRA.DIHEDRAL.0>
13.0052

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.72008

>  <SCORE.INTRA.VDW.0>
-2.39078

>  <SCORE.INTRA.norm>
-0.166176

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
0.709296

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.190883

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  225.8773  188.3065  254.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7492  188.6979  253.1614 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.6916  187.9044  252.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4618  190.1321  252.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5499  190.9282  252.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7135  190.5925  250.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0876  189.0961  250.4430 C   0  0  2  0  0  0  0  0  0  0  0  0
  228.5527  188.7655  250.8910 C   0  0  1  0  0  0  0  0  0  0  0  0
  229.5737  189.7662  250.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8801  189.7880  249.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.7238  190.7740  248.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.3004  191.7350  249.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.0560  191.6843  250.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2083  190.7091  251.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.8046  192.8307  251.7098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  229.3541  188.5045  247.9018 S   0  0  0  0  0  0  0  0  0  0  0  0
  227.5774  188.6140  247.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0350  188.4491  246.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6629  188.3810  246.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8065  188.3939  247.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3303  188.5161  248.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7107  188.7219  248.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6075  188.6463  252.3215 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.8167  188.1735  252.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
116.44555352,68.52255593,-59.86431076,-69.99044374,40.48481202,228.11916848
189.69050902,250.27241121,2.94568167,-0.49618441,-1.80621756

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442491/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24775

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-3.15225

>  <SCORE.INTRA.DIHEDRAL>
3.21891

>  <SCORE.INTRA.DIHEDRAL.0>
1.86821

>  <SCORE.INTRA.POLAR>
-0.731838

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27346

>  <SCORE.INTRA.VDW.0>
0.232768

>  <SCORE.INTRA.norm>
-0.137054

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.271641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000236

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  184.1062  223.3417  249.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7446  223.7011  250.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3742  222.8446  251.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.6721  221.7156  251.2989 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.4499  221.3524  252.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0300  222.2207  253.4750 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6159  223.1762  252.7649 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.6070  220.2302  252.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0156  219.3956  252.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3234  218.2425  252.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1930  217.9110  253.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7262  218.7832  254.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4289  219.9254  254.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5248  216.6175  254.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3294  215.8547  255.1544 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.6795  214.5884  255.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0520  213.8782  255.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3686  215.0673  254.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0030  213.6886  256.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3213  215.0501  257.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4219  215.6524  258.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6944  216.8915  258.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8722  217.5494  258.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7802  216.9916  257.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5068  215.7508  256.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1335  218.7401  258.9783 F   0  0  0  0  0  0  0  0  0  0  0  0
  180.4110  212.6874  257.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3039  211.8688  257.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8263  210.9368  258.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4361  210.8383  259.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5040  211.6553  259.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9865  212.5786  258.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9851  209.9363  260.3960 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.2359  213.1125  256.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8180  213.0076  256.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 19 34  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
-91.44202126,3.43498234,130.17483071,-179.87070130,-56.55571924,81.41213228
12.09373345,179.69821881,180.81148092,216.84098582,255.54586472,-1.28120952
0.95928004,2.30816512

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442492/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4958

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-1.90421

>  <SCORE.INTRA.DIHEDRAL>
-3.62396

>  <SCORE.INTRA.DIHEDRAL.0>
9.20562

>  <SCORE.INTRA.POLAR>
0.409493

>  <SCORE.INTRA.POLAR.0>
-0.409493

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.48451

>  <SCORE.INTRA.VDW.0>
-2.07212

>  <SCORE.INTRA.norm>
-0.0560062

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.3087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000381

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  215.0553  192.4109  244.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7919  192.6156  246.2855 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6708  192.1041  246.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6795  191.2849  246.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6311  190.9061  247.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5739  191.3747  248.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5722  192.2143  249.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6493  192.5513  248.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8777  193.3538  248.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3360  193.9853  249.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6252  194.0412  250.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0990  193.0984  251.4155 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7721  195.3073  251.3877 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1046  195.6181  251.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1113  196.3412  252.4144 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.7049  195.0189  249.7462 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.7764  195.6489  252.4265 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3001  195.2706  252.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5715  195.8721  250.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2768  195.5345  249.3421 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.0565  196.3820  248.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2107  195.0195  253.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5923  195.6793  254.7317 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0498  193.6756  253.8753 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5749  193.3944  247.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5914  194.0013  246.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8058  193.2425  253.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 25  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  6  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-43.03153264,-61.05668830,111.02512710,58.88176156,178.03215175,8.89555059
214.22396707,194.20455377,249.86687459,-1.77269328,0.19676493,1.13098745

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442493/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.05259

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-5.34741

>  <SCORE.INTRA.DIHEDRAL>
-4.79866

>  <SCORE.INTRA.DIHEDRAL.0>
6.29857

>  <SCORE.INTRA.POLAR>
-0.865825

>  <SCORE.INTRA.POLAR.0>
-0.0227829

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00427165

>  <SCORE.INTRA.VDW.0>
-3.38986

>  <SCORE.INTRA.norm>
-0.205669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.194331

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005452

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  218.7883  192.8931  251.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2906  191.4515  251.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4361  190.5118  251.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1004  189.0179  251.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5805  188.4280  250.3595 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2990  187.7127  250.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9670  188.3573  249.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7950  188.8435  248.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3854  189.4256  248.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5111  188.2926  249.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7086  188.5347  249.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0294  188.0929  247.8145 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.3162  186.8875  247.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3175  186.7880  245.6253 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0963  187.8433  244.7539 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.1872  188.3993  243.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2813  189.4605  244.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
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  217.9749  191.6400  247.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0954  191.0164  247.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9233  190.1695  245.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7269  190.2418  245.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7118  188.9218  245.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1904  188.3888  246.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7910  185.6908  245.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3508  184.7529  244.5295 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7353  191.2450  244.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  1  0  0  0
 12 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 26  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  3  0  0  0  0
M  END
>  <CHROM.1>
-178.83623007,58.27281840,-124.73503296,99.45517216,61.69522510,179.49172264
-68.00331062,217.98085434,189.14320760,247.45918790,1.19820022,-1.10027336
0.92567347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442494/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.42764

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-2.97236

>  <SCORE.INTRA.DIHEDRAL>
0.634658

>  <SCORE.INTRA.DIHEDRAL.0>
3.18664

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.102495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.325091

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003864

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  193.1204  222.0110  258.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3713  222.0043  260.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0110  222.3147  260.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3870  222.6468  258.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1503  222.6442  257.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5094  222.3280  257.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9113  222.9697  258.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6115  224.4130  259.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3969  225.5412  258.0717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
82.15047649,61.66485571,190.57479518,223.40610462,258.71045418,-0.61985852
0.45782091,-0.76965849

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442495/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.87028

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.529717

>  <SCORE.INTRA.DIHEDRAL>
-0.0124017

>  <SCORE.INTRA.DIHEDRAL.0>
0.717595

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.523517

>  <SCORE.INTRA.VDW.0>
-0.224409

>  <SCORE.INTRA.norm>
-0.0588575

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.763365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.061153

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  189.6524  207.6813  260.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4203  207.5706  259.4139 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.4724  206.6622  258.6752 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.8154  207.4595  258.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0569  206.6955  258.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8929  206.2834  257.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7262  206.5211  256.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6643  205.4811  256.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3777  206.2827  257.1041 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.3125  205.3784  256.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8945  205.8052  256.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0940  205.4127  257.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8563  206.0999  257.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9218  207.1693  258.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7750  207.6232  259.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5437  207.1195  258.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4744  206.1683  257.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6230  205.6365  257.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2759  205.6940  257.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8019  208.4937  260.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1984  207.8860  258.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3738  209.0269  258.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0978  207.0531  259.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.5610  206.1395  257.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.7260  208.7076  260.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-1.76854936,1.43605141,188.07129762,206.77831873,258.16840526,-0.09589486
0.03687022,0.91672154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442497/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.30781

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.234783

>  <SCORE.INTRA>
-0.0921875

>  <SCORE.INTRA.DIHEDRAL>
-0.372752

>  <SCORE.INTRA.DIHEDRAL.0>
0.397397

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0941883

>  <SCORE.INTRA.VDW.0>
0.281738

>  <SCORE.INTRA.norm>
-0.00400815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.230774

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002581

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  204.3202  193.4446  249.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9082  192.2859  250.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2292  191.1683  249.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7704  190.1507  249.5592 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9576  191.5308  249.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0627  190.7275  248.8419 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7075  191.3937  249.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8870  192.7427  248.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8886  192.4957  247.1887 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.2860  190.9968  247.3244 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.7213  190.6928  246.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1376  191.6133  245.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2323  193.0898  246.1949 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.1093  193.4503  247.2132 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6535  194.8987  247.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5712  195.8978  246.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9783  195.5498  245.2206 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6221  194.1167  245.0364 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.2011  194.1568  244.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8570  195.3464  244.2912 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.2726  196.5486  244.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9272  197.2486  245.7447 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8038  196.7641  244.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6828  195.4465  242.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1532  193.5407  243.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3140  190.1699  246.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  6  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
98.37533681,175.00430048,168.30447192,202.98699396,193.27975401,246.87395479
-2.20278528,-0.70576079,-1.18962642

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442498/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61403

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-1.78597

>  <SCORE.INTRA.DIHEDRAL>
-1.66016

>  <SCORE.INTRA.DIHEDRAL.0>
4.21061

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.955895

>  <SCORE.INTRA.VDW.0>
-1.28518

>  <SCORE.INTRA.norm>
-0.0686913

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.254386

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009438

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  198.4603  202.7664  239.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5411  203.5308  238.6893 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3212  204.8768  238.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3518  205.6831  239.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2608  207.0744  239.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1405  207.6576  238.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0965  206.8616  237.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1964  205.4682  238.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0332  209.4295  238.2871 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.3646  209.9723  238.4303 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2072  209.7371  237.1384 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0909  209.8095  239.6404 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3633  209.1132  240.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4750  209.3792  241.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7200  208.5444  242.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8790  207.4710  243.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7780  207.2201  242.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5178  208.0356  241.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8996  206.0805  242.5457 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.1592  205.3861  243.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9511  205.8789  241.7745 O   0  5  0  0  0  0  0  0  0  0  0  0
  200.4408  210.3327  241.5192 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0495  211.6590  241.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9067  210.8077  239.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <CHROM.1>
132.92037358,19.57357908,41.40642064,75.09538328,46.58534656,198.75561620
207.59347913,240.10055876,-2.34631045,1.24183855,0.67989636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442500/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.66769

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-2.73231

>  <SCORE.INTRA.DIHEDRAL>
0.994529

>  <SCORE.INTRA.DIHEDRAL.0>
6.03941

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.22957

>  <SCORE.INTRA.VDW.0>
0.162275

>  <SCORE.INTRA.norm>
-0.118796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.333378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000153

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  223.9167  192.5676  234.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5437  192.9403  234.4838 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4248  194.4049  234.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1576  192.4518  233.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6577  192.0943  233.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2155  190.9023  233.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3817  191.1061  235.3393 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2336  190.3894  236.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6212  191.2371  237.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9093  192.4599  237.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9098  193.7040  237.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9788  194.6669  237.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1319  194.4201  236.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9404  193.1375  235.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9664  192.2333  236.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5612  190.8844  238.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4987  191.1798  239.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6875  190.5567  240.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0113  190.5984  241.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3592  189.9226  239.1328 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7577  190.0968  237.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1362  189.7055  236.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5730  191.9944  240.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9411  192.7983  241.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8032  193.3650  241.8066 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.6977  192.9346  241.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3448  193.2508  241.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4204  192.6589  240.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8352  191.7827  239.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1924  191.4725  239.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1500  192.0591  240.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2282  189.4362  239.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.7704  193.9976  242.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 23 31  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
147.56693893,-65.14576757,61.97381147,-115.11196373,-139.97227586,-142.81953481
221.25764644,192.05652671,237.70579895,-1.41736308,-0.47513293,1.66622913

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442501/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.873574

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-10.5264

>  <SCORE.INTRA.DIHEDRAL>
-12.0348

>  <SCORE.INTRA.DIHEDRAL.0>
24.3845

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.50904

>  <SCORE.INTRA.VDW.0>
-3.25163

>  <SCORE.INTRA.norm>
-0.339562

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0281798

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003689

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  216.8792  198.3463  241.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5587  198.7110  240.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8607  199.7538  241.3664 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6068  200.9888  241.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9236  200.7014  242.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7273  199.6209  241.5516 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.9894  199.9737  240.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.0397  199.3241  242.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0163  198.6856  241.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0162  199.4979  240.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9639  199.3972  242.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3471  198.8790  243.4492 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4233  199.4770  242.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0693  200.0057  241.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6871  199.1287  243.1794 O   0  5  0  0  0  0  0  0  0  0  0  0
  220.6596  199.1138  239.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2   6   1  15  -1
M  END
>  <CHROM.1>
67.47837872,75.83099602,49.05332561,178.06755244,-6.46051982,215.83183381
199.46340989,241.73694066,-0.16078008,-0.09011689,1.91455338

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442502/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.753506

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-8.64649

>  <SCORE.INTRA.DIHEDRAL>
-12.9614

>  <SCORE.INTRA.DIHEDRAL.0>
14.8105

>  <SCORE.INTRA.POLAR>
-0.238589

>  <SCORE.INTRA.POLAR.0>
-0.148927

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.35458

>  <SCORE.INTRA.VDW.0>
0.471066

>  <SCORE.INTRA.norm>
-0.617607

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.0538219

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039170

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  201.3242  205.0566  255.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8689  205.0192  255.0619 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4605  203.6466  254.6628 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.2737  203.4322  253.1511 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8773  204.6162  252.3618 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2390  205.9489  252.8490 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4109  206.0937  254.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8360  207.0302  252.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3326  208.3406  252.4148 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1100  209.4321  251.6461 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.7180  209.5953  250.1613 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2047  209.6762  249.9449 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5284  208.4759  250.6209 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.8186  208.4547  252.1336 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.2981  209.6698  252.7088 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1146  208.5312  250.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7332  210.9420  250.4534 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3266  210.8070  249.6734 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5261  209.1909  251.7287 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3660  204.6126  252.4978 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8911  202.2165  252.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9286  202.5554  255.4168 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7947  204.2065  256.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6512  210.4140  252.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8045  209.3715  250.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1745  211.6561  249.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0897  210.8548  248.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.9583  209.9161  251.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.5968  204.7548  253.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7001  205.4860  252.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6844  202.1516  251.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3632  201.7288  255.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1969  203.3246  255.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  1  0  0  0
  4  5  1  0  0  0  0
  4 21  1  6  0  0  0
  5  6  1  0  0  0  0
  5 20  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  1  0  0  0
 13 14  1  0  0  0  0
 13 16  1  1  0  0  0
 14 15  1  6  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
>  <CHROM.1>
65.54793949,-52.02744069,-178.90756692,177.49708033,-63.08518168,178.81025809
175.53634080,-179.38283756,177.54288473,61.44300454,-59.46135535,70.41626781
202.95387806,206.86561678,252.52646541,1.54198647,-0.38944850,2.58772434

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442503/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.00356

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-8.39644

>  <SCORE.INTRA.DIHEDRAL>
-18.9209

>  <SCORE.INTRA.DIHEDRAL.0>
20.6125

>  <SCORE.INTRA.POLAR>
0.804569

>  <SCORE.INTRA.POLAR.0>
-2.39944

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.67151

>  <SCORE.INTRA.VDW.0>
1.0418

>  <SCORE.INTRA.norm>
-0.365063

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0436331

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002636

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 64 65  0  0  0  0  0  0  0  0999 V2000
  203.6409  202.8703  243.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6404  202.4220  241.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7096  201.0621  241.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7261  200.1552  242.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6591  200.6072  243.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5935  201.9797  244.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3791  202.4636  245.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6500  202.7493  246.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5950  201.6542  246.5892 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7536  200.9744  247.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0177  201.1147  248.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8921  199.9689  247.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7007  198.5969  247.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2854  198.6372  245.7236 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.3583  199.2039  244.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0810  198.5578  244.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4798  200.5399  244.9795 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9242  197.3212  245.1855 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6099  196.9661  245.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6925  197.7650  245.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4139  195.5212  244.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3282  195.3400  243.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4481  196.2666  242.3546 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8052  196.1755  241.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5767  195.2311  241.7186 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1189  197.2989  240.9455 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3583  195.9865  241.4137 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9324  196.9295  240.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4832  198.0241  240.4246 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8139  196.4935  239.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2895  195.8471  238.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9421  194.4416  238.4223 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.9381  193.2621  238.4660 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5901  191.8608  238.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3155  191.5189  239.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4928  192.4227  240.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4519  193.4235  240.7935 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6207  192.0252  239.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0077  193.4430  239.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7869  193.4393  239.5806 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6539  193.5128  240.8313 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9395  194.3075  237.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1463  194.2197  237.4342 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3776  194.2380  236.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7364  200.5613  240.1544 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0389  200.1882  239.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0204  199.4230  238.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8968  199.5680  237.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5800  198.7282  236.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4429  198.0647  236.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0827  198.4400  237.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8558  197.1163  235.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5327  197.7835  234.4236 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4301  197.5478  233.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2739  198.0055  232.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1237  201.3530  245.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1914  200.9320  244.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6355  196.5893  245.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3821  197.9561  240.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1215  195.0144  241.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3948  192.5972  239.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0876  193.5812  241.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9772  194.1440  235.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2811  198.3064  233.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 56  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  1  0  0  0  0
 32 42  1  0  0  0  0
 33 34  1  1  0  0  0
 33 39  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 61  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 62  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 63  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 51  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 64  1  0  0  0  0
 54 55  2  0  0  0  0
M  END
>  <CHROM.1>
100.02037924,-92.61336903,-60.13408516,-105.21011307,-78.54688208,54.12794830
66.37970766,103.93112510,101.37633141,177.32855447,-138.37963425,49.57521947
55.74769760,21.05965673,156.37886589,-6.65607738,-89.80460774,70.10504191
83.53352116,176.47108486,114.20307081,69.68387466,126.36870952,-63.26726518
94.76859431,179.75738003,-176.88984481,-179.49671227,169.72888799,140.10451122
-58.29415058,-141.00186686,203.86706822,197.43507868,241.17028567,-0.47631923
-1.24251901,-1.06478836

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442504/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.1098

>  <SCORE.INTER>
32.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
27

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.589091

>  <SCORE.INTRA>
-20.2902

>  <SCORE.INTRA.DIHEDRAL>
1.21519

>  <SCORE.INTRA.DIHEDRAL.0>
24.8091

>  <SCORE.INTRA.POLAR>
-2.65289

>  <SCORE.INTRA.POLAR.0>
-0.303623

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.878

>  <SCORE.INTRA.VDW.0>
-4.46879

>  <SCORE.INTRA.norm>
-0.368914

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
0.220177

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  196.0706  210.9669  256.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5405  210.8461  255.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4205  211.0114  256.7644 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9673  210.4686  254.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1175  210.2094  254.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9297  210.5569  253.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6118  212.3891  256.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1898  213.0134  257.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6920  212.9258  254.8835 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2372  210.3456  252.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0530  212.3362  254.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
82.36390850,-113.22544970,-172.37182376,177.61274128,-1.40190884,196.94909073
211.39481833,255.43781085,-2.56784870,0.58157688,-1.76561634

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442505/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.01176

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-4.38824

>  <SCORE.INTRA.DIHEDRAL>
-0.837455

>  <SCORE.INTRA.DIHEDRAL.0>
3.34715

>  <SCORE.INTRA.POLAR>
-0.996505

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.581399

>  <SCORE.INTRA.VDW.0>
1.06679

>  <SCORE.INTRA.norm>
-0.487583

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.445751

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.063750

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  196.2779  218.2968  256.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9867  218.5459  258.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8676  219.2946  258.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0315  219.7910  257.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3175  219.5275  256.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4510  218.7767  255.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7583  218.5061  254.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9315  218.9870  253.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2166  218.7285  251.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3444  217.9936  251.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1872  217.5075  252.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8910  217.7560  253.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6231  217.7510  250.3215 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.5907  219.5409  259.7443 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-179.95550556,195.60546376,218.64326152,255.03321536,-1.81996570,0.57233527
-1.62157885

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442514/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.11019

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.289814

>  <SCORE.INTRA.DIHEDRAL>
-1.3706

>  <SCORE.INTRA.DIHEDRAL.0>
1.3706

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.395485

>  <SCORE.INTRA.VDW.0>
-0.133847

>  <SCORE.INTRA.norm>
-0.020701

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.436442

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.058497

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  209.1193  197.3818  241.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3758  198.4826  241.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0502  199.6539  240.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3831  200.7016  240.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0136  200.5442  239.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3347  199.3756  240.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0147  198.3526  240.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0941  201.8347  239.0632 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.0636  202.9750  239.9565 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5587  201.9243  237.6994 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5689  201.3055  239.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1528  201.9339  239.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2693  201.2275  239.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-65.18838780,63.76017570,207.12359965,200.59982202,239.90084178,1.00358372
0.20162362,2.70124247

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442515/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.91797

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.482029

>  <SCORE.INTRA.DIHEDRAL>
-0.852019

>  <SCORE.INTRA.DIHEDRAL.0>
2.0902

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0560194

>  <SCORE.INTRA.VDW.0>
-0.813235

>  <SCORE.INTRA.norm>
-0.0401691

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.493164

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001573

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  214.0980  195.8141  253.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8717  195.1730  251.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2183  193.8357  251.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8941  194.0903  250.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8297  193.7935  251.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9504  194.8692  249.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6267  196.2007  249.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1904  197.2762  249.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9227  196.1364  250.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6932  194.1355  248.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0551  192.7883  247.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8802  192.1709  246.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4656  192.0927  245.6667 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2366  191.6253  247.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0907  190.4809  248.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0938  190.8329  249.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8890  191.6833  248.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8188  191.5326  249.5602 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4741  190.2215  248.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6689  189.1953  247.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8318  195.0741  247.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0904  195.4361  246.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3034  196.1701  245.6417 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2083  196.5875  244.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9132  196.3171  245.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7238  195.5488  246.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3078  194.8882  252.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
63.13414455,-179.36966414,118.85768800,213.97403654,193.81996533,248.80149469
-2.09146821,1.48360246,-1.81582543

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442516/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.11347

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-0.286528

>  <SCORE.INTRA.DIHEDRAL>
-0.202478

>  <SCORE.INTRA.DIHEDRAL.0>
1.01506

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.185289

>  <SCORE.INTRA.VDW.0>
-4.34791

>  <SCORE.INTRA.norm>
-0.0106121

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.300499

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003703

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  201.5285  199.7938  245.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1443  199.2849  247.2753 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2566  199.6307  248.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9153  198.7764  248.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4442  200.9553  248.4448 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8853  199.8443  247.6401 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5147  201.2314  245.8817 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1656  201.1291  249.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6674  199.4847  248.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0758  201.5222  246.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
-68.51742028,52.65026108,-116.86717092,179.10537784,179.50480351,201.66420338
199.98522732,247.48624656,-2.16111165,0.45841144,2.25484574

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442518/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.712358

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-8.11236

>  <SCORE.INTRA.DIHEDRAL>
-11.3159

>  <SCORE.INTRA.DIHEDRAL.0>
12.6947

>  <SCORE.INTRA.POLAR>
-0.312539

>  <SCORE.INTRA.POLAR.0>
-0.438723

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.39175

>  <SCORE.INTRA.VDW.0>
1.08197

>  <SCORE.INTRA.norm>
-1.15891

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
-0.101765

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017120

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 29  0  0  0  0  0  0  0  0999 V2000
  215.4603  187.6020  243.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8574  188.8000  243.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3232  189.6192  242.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3409  189.2689  241.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9599  188.0361  240.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5254  187.2332  241.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0860  187.4611  239.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3343  186.3035  239.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8506  188.3756  238.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7903  190.2256  240.3757 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0040  191.3787  240.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5116  192.6741  240.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5447  193.2183  240.5628 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6462  193.3036  239.0702 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6979  192.4992  237.7506 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.1144  192.3289  237.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9273  191.6671  238.1474 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4336  191.3065  237.7556 P   0  0  0  0  0  0  0  0  0  0  0  0
  217.3178  192.4398  237.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9941  190.4710  238.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3231  190.1972  236.6085 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1308  191.1987  238.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2929  193.5166  239.4486 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7450  188.0148  237.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0504  190.1751  239.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4479  189.6750  239.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7764  189.4526  236.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0994  190.7300  237.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2512  194.1035  240.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  1  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <CHROM.1>
-12.29272155,-162.48515259,-168.25455992,129.64464837,-74.50149258,-72.06845292
-57.35017213,59.39848077,58.74165618,175.25402560,176.78747645,58.97468471
58.58342235,-54.68363550,214.64814115,190.49532190,239.47352547,1.26015453
-0.76623055,2.32956479

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442519/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.40346

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626087

>  <SCORE.INTRA>
-17.8035

>  <SCORE.INTRA.DIHEDRAL>
-7.54969

>  <SCORE.INTRA.DIHEDRAL.0>
15.3714

>  <SCORE.INTRA.POLAR>
-3.00032

>  <SCORE.INTRA.POLAR.0>
-0.0145455

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.82751

>  <SCORE.INTRA.VDW.0>
-0.256847

>  <SCORE.INTRA.norm>
-0.774063

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.147976

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  193.7429  221.2307  260.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1088  222.0328  259.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0995  222.6185  258.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4220  223.3634  257.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7648  223.5428  257.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7807  222.9508  258.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4484  222.1972  259.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1740  224.4930  255.8082 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.8606  225.8768  256.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5030  224.0776  255.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1236  223.9188  254.6277 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0010  222.5347  254.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7685  221.6096  255.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6564  220.2218  254.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6910  219.8062  253.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9221  220.7317  253.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0813  222.0980  253.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4513  218.4933  253.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6133  219.2696  255.5378 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8816  218.2609  256.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7429  217.0857  256.0407 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4055  218.7504  257.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4097  219.2292  258.5528 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.5159  219.7739  257.6412 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.7810  217.7857  258.4936 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.5846  218.5081  254.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7965  218.6942  254.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0040  217.7007  253.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9300  216.9588  252.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5370  215.8113  253.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1952  216.4212  251.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6526  224.6072  254.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2449  217.9529  253.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  6  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
69.48657392,-51.39225914,-0.50218089,119.92819774,-24.02503946,103.62808629
115.07786516,-57.97396304,-179.09028454,74.55284979,194.89645760,220.58898917
255.93484784,2.61164033,1.34856399,-0.56440779

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442521/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.45462

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-9.94538

>  <SCORE.INTRA.DIHEDRAL>
-14.0685

>  <SCORE.INTRA.DIHEDRAL.0>
21.9988

>  <SCORE.INTRA.POLAR>
-0.394962

>  <SCORE.INTRA.POLAR.0>
-0.605038

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.56824

>  <SCORE.INTRA.VDW.0>
-5.09101

>  <SCORE.INTRA.norm>
-0.320819

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.143697

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000711

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  200.5224  207.7381  247.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6525  206.5235  247.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7960  206.4619  248.1359 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8934  205.5302  246.3500 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2574  204.1849  246.2721 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7243  204.1332  246.4328 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.0488  204.9587  245.3377 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4539  204.4218  243.9533 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8728  204.2427  243.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5723  203.5832  244.8690 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.4642  202.1712  244.7948 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6540  203.1668  243.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7456  202.1325  244.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6320  204.9267  245.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2280  204.4916  247.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7647  205.6230  245.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0789  201.7513  245.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6777  201.8615  244.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2633  205.4947  244.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5491  205.3985  247.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 16  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <CHROM.1>
45.31814519,57.11529293,178.12593671,-54.98322115,-60.34317644,-62.96163370
198.27271753,204.54201128,245.71027890,-1.11819717,-0.07405571,-2.38574542

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442530/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.347112

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-7.05289

>  <SCORE.INTRA.DIHEDRAL>
-4.12236

>  <SCORE.INTRA.DIHEDRAL.0>
5.70442

>  <SCORE.INTRA.POLAR>
-1.18737

>  <SCORE.INTRA.POLAR.0>
-0.812476

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.954654

>  <SCORE.INTRA.VDW.0>
-0.485377

>  <SCORE.INTRA.norm>
-0.470193

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.0231408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000788

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  196.0545  222.4476  258.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6433  222.3358  258.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7745  222.0871  260.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6920  223.4912  258.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2889  223.3348  258.8167 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3215  222.7838  257.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9667  222.6598  258.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9651  222.2076  257.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2774  221.8481  256.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6118  221.9065  255.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6111  222.3654  256.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2653  221.4314  255.2858 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6612  221.1200  254.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8530  223.9009  259.9832 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7338  224.4884  260.6193 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9640  221.1022  258.1077 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.2648  220.7889  256.9477 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0912  220.5433  258.7824 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <CHROM.1>
175.37564026,-31.83522171,-96.25558444,-177.64628901,-3.36396249,-179.03676478
192.06894927,222.25072445,257.81349702,-0.55284964,0.25713945,-2.20723900

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442531/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.61014

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-1.78986

>  <SCORE.INTRA.DIHEDRAL>
-3.27639

>  <SCORE.INTRA.DIHEDRAL.0>
7.93877

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.151668

>  <SCORE.INTRA.VDW.0>
3.40999

>  <SCORE.INTRA.norm>
-0.0994368

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.533896

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002889

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  188.6804  208.4358  257.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6650  208.4776  256.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4235  206.8360  256.1145 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.3320  206.6833  257.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4505  207.4449  257.7700 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0840  207.3921  258.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6371  206.6216  260.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5356  205.8458  259.9029 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8795  205.8875  258.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7087  204.9574  258.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3399  206.6000  261.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9833  207.7681  262.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5106  207.7599  262.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8676  207.7107  263.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-65.10769205,-72.76745165,82.17598095,63.81242649,191.45207813,207.02996392
259.13718642,2.14821435,0.54573006,-1.92429069

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442532/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.77048

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-0.62952

>  <SCORE.INTRA.DIHEDRAL>
0.113275

>  <SCORE.INTRA.DIHEDRAL.0>
2.5641

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.686157

>  <SCORE.INTRA.VDW.0>
-0.593072

>  <SCORE.INTRA.norm>
-0.0449657

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.626463

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000049

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  193.2432  219.3052  260.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0480  220.0758  259.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4136  220.7114  258.7645 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3682  221.4329  258.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0947  221.0158  258.3964 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0681  221.7276  257.8491 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3396  222.8322  257.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6287  223.2948  256.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6756  222.5637  257.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2175  223.5026  256.6201 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5275  224.6794  257.5852 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.3395  225.8761  257.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1310  224.7256  257.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6045  223.9995  259.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6068  223.1212  259.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6790  222.5667  260.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7684  222.8301  261.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7460  223.7331  261.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6838  224.2993  260.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7583  222.3849  263.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1723  223.7033  255.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.3712  221.5940  263.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8712  223.1219  263.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.98294311,-32.58039985,89.51717396,76.84389335,-83.74455829,106.39995321
189.10542066,222.85113510,258.91788411,0.40772625,-0.59703731,1.94620945

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442533/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.7832

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-1.6168

>  <SCORE.INTRA.DIHEDRAL>
-0.548407

>  <SCORE.INTRA.DIHEDRAL.0>
4.28314

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.3426

>  <SCORE.INTRA.VDW.0>
-1.28333

>  <SCORE.INTRA.norm>
-0.08084

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.48916

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  212.9301  180.5567  232.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1845  180.2896  233.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7566  181.1439  234.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0295  182.2772  234.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7639  182.5661  234.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2109  181.6859  233.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3033  183.7517  234.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1329  184.4378  234.6169 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0272  185.5158  235.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8577  186.2672  235.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6810  187.3920  236.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7032  187.7892  237.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8840  187.0492  237.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0591  185.9126  236.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2024  185.2278  236.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2839  184.1576  235.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3288  183.2696  235.5605 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4910  183.2768  236.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1614  183.6360  237.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9137  184.6211  238.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6618  185.0057  239.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6108  184.4279  240.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8190  183.4721  239.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0900  183.0782  238.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0165  181.9112  237.9041 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.8986  185.2609  237.8963 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-134.10501389,-130.36499847,213.31330902,183.89248381,236.43722853,-1.79627120
-0.68734569,0.80474802

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442534/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.50037

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.899635

>  <SCORE.INTRA.DIHEDRAL>
0.0326662

>  <SCORE.INTRA.DIHEDRAL.0>
2.60564

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.915968

>  <SCORE.INTRA.VDW.0>
-1.99915

>  <SCORE.INTRA.norm>
-0.0346013

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.250014

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001501

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  194.8094  219.7727  263.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6880  219.1340  262.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8888  218.6139  261.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6206  219.4240  259.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8724  218.9330  258.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3687  217.6226  258.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6632  216.8215  259.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4126  217.3028  261.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6795  217.1452  257.7517 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2156  218.0258  256.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4652  217.4979  255.3685 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5292  216.2229  255.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3081  215.3683  256.4466 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0412  215.8618  257.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4510  213.9953  256.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2612  213.1608  257.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8533  213.7989  254.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1538  212.5748  254.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6308  212.2745  252.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7665  213.2928  252.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2186  213.0009  250.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5183  211.6662  250.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3563  210.6324  251.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9272  210.9549  252.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5950  209.3439  250.9439 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3445  208.4951  251.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8917  211.4856  249.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1820  210.9348  248.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3668  213.9602  249.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1367  215.1062  250.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9057  215.2966  253.9366 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
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 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
90.22545036,-12.41089228,-1.93142996,52.15498616,120.28645025,135.98278628
193.79673669,214.73550517,255.08117465,-2.40289431,1.49751142,-1.36056268

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442535/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.00346

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-7.39654

>  <SCORE.INTRA.DIHEDRAL>
-9.30548

>  <SCORE.INTRA.DIHEDRAL.0>
19.4028

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.7438

>  <SCORE.INTRA.VDW.0>
6.39695

>  <SCORE.INTRA.norm>
-0.238598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.129144

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000094

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  199.9271  197.1638  248.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7091  198.1218  249.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4994  199.1191  248.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2846  200.1020  249.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0501  201.0832  248.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7609  202.1605  249.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3657  203.2624  248.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3398  204.1634  248.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2723  203.4478  247.3186 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0100  203.3244  247.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5629  204.0299  248.7784 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2326  202.3031  247.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3151  201.4468  247.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5837  200.3686  246.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6288  199.8671  245.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8083  198.7896  245.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9480  198.2199  246.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8976  198.7183  247.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7209  199.7860  247.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8567  200.4219  249.0885 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8615  201.3934  249.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2997  202.0144  249.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0628  200.1319  250.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6793  199.0836  251.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8405  202.3383  245.5063 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.3237  203.1424  245.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5498  203.4224  244.8791 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
179.48031141,-179.63099864,175.27443277,-171.87872141,68.79041330,-49.00785416
101.25503738,92.00255007,200.44676515,201.18581262,247.81041646,-2.73297319
-0.61873639,-1.28041637

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442536/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.34212

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-5.05788

>  <SCORE.INTRA.DIHEDRAL>
-1.0713

>  <SCORE.INTRA.DIHEDRAL.0>
6.01376

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.52223

>  <SCORE.INTRA.VDW.0>
-1.57638

>  <SCORE.INTRA.norm>
-0.187329

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.308967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000535

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  199.9778  210.0619  254.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1423  208.9837  255.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1249  208.5912  254.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0165  209.2381  253.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8472  210.3176  252.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8332  210.7462  253.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7298  211.9127  253.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3412  213.2257  253.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3544  214.0354  253.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0679  215.2974  253.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7185  215.7548  255.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7088  214.9527  255.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0009  213.6910  255.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5595  217.0816  255.4502 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3890  207.4268  254.5305 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6529  217.7637  254.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7327  217.2378  256.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9597  206.6260  254.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6121  207.5635  255.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
-46.29490835,-80.27144180,-82.97075703,-46.28204204,199.42511601,212.09300087
254.27497574,-1.94652648,-0.94552147,-0.20465556

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442537/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.71791

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-0.682092

>  <SCORE.INTRA.DIHEDRAL>
-0.472862

>  <SCORE.INTRA.DIHEDRAL.0>
2.63379

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.445661

>  <SCORE.INTRA.VDW.0>
-1.05127

>  <SCORE.INTRA.norm>
-0.0454728

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.581194

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000500

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 49  0  0  0  0  0  0  0  0999 V2000
  213.4578  196.9716  235.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1751  197.3452  236.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6948  196.9698  237.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5203  196.2424  238.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8640  195.8739  238.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2755  196.2397  236.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6827  195.1726  239.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2534  194.7923  240.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9329  195.1325  240.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2671  194.8975  241.8738 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0469  195.4175  241.6303 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8605  195.9911  240.4150 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0587  195.8384  239.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0314  195.3852  242.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7676  195.9264  242.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8034  195.9378  243.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0798  195.4430  244.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3423  194.8664  244.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3009  194.8240  243.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1483  195.6200  245.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2709  196.6247  246.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4229  196.7078  247.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3116  197.5580  247.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5625  197.5972  248.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9444  196.7970  249.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0514  195.9476  249.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7785  195.9028  248.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1947  196.8672  250.8631 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.2343  197.6467  250.9217 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5722  196.1449  251.7973 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.8041  198.6424  245.9986 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.5213  197.8550  244.8172 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8097  199.5459  246.5375 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1314  199.5037  245.6934 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1757  196.5249  243.0187 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.0308  197.8368  243.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9681  196.3097  241.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1594  195.5624  243.8222 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3840  194.7510  238.7888 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.4219  194.1324  237.4799 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1903  195.9047  239.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7621  193.5530  239.7976 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7351  198.9996  245.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3694  196.0822  244.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1712  192.7967  239.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 43  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 38 44  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 42 45  1  0  0  0  0
M  CHG  2  28   1  30  -1
M  END
>  <CHROM.1>
-48.36879951,179.78045483,-106.57246760,-27.95243700,-166.86876821,58.36383403
82.65849161,147.64756241,61.74341393,208.86863149,196.31611975,243.22844525
0.61884197,0.41669660,-1.26252368

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442538/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.45443

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.271429

>  <SCORE.INTRA>
-8.94557

>  <SCORE.INTRA.DIHEDRAL>
-14.9608

>  <SCORE.INTRA.DIHEDRAL.0>
23.7661

>  <SCORE.INTRA.POLAR>
-0.999395

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.93278

>  <SCORE.INTRA.VDW.0>
-4.0788

>  <SCORE.INTRA.norm>
-0.21299

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.0584387

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  211.0677  200.3570  252.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7853  199.2383  252.8661 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3037  197.9981  252.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4136  197.0261  253.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9720  195.7260  253.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3987  195.3825  252.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2588  196.3396  251.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7346  197.6443  251.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6702  195.9288  249.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5005  196.7484  248.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8959  196.2251  247.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5258  195.0769  247.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8031  197.1719  246.5512 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9714  197.3372  254.7389 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4144  196.8838  245.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2105  198.2820  254.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-143.60471101,0.25576048,-179.12750421,-0.12645560,179.72699494,210.37668769
197.06911830,250.94969772,-0.12882187,-1.16567463,-0.42571210

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442539/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10916

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.29084

>  <SCORE.INTRA.DIHEDRAL>
-1.69356

>  <SCORE.INTRA.DIHEDRAL.0>
3.40086

>  <SCORE.INTRA.POLAR>
-8.09555e-05

>  <SCORE.INTRA.POLAR.0>
-0.336941

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.44378

>  <SCORE.INTRA.VDW.0>
2.73923

>  <SCORE.INTRA.norm>
-0.163631

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.436369

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004570

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  192.9626  211.6249  253.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6349  210.7978  252.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8204  210.5677  251.5737 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8363  211.2401  250.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0522  210.5839  249.5197 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5531  209.4727  250.1449 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9886  209.4892  251.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5856  208.3253  252.5935 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.1767  206.8688  251.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4038  206.3944  250.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1042  205.4860  251.2664 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6477  207.1135  249.6640 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7111  206.8925  248.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0091  207.9068  247.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1129  207.7948  246.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9213  206.6496  247.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5689  205.6070  247.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4780  205.7278  248.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1509  206.4674  246.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4384  209.1331  245.9471 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.6439  212.4640  249.9980 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2136  213.6535  250.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0591  212.1850  250.2196 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8265  211.5042  249.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1735  212.0064  248.2156 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2068  210.1060  249.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1970  209.4364  248.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5418  208.1174  249.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8915  207.4627  250.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8961  208.1201  251.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5529  209.4348  250.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1162  207.9723  249.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5425  212.8403  250.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
98.42799294,-63.60435966,-154.57906421,64.21760652,96.26245999,-163.69571906
82.20515077,72.17505985,-166.54900182,194.22545171,209.00596710,249.74163350
-2.49051578,-0.81688048,-2.89239867

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442540/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.98231

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-10.4177

>  <SCORE.INTRA.DIHEDRAL>
-2.81469

>  <SCORE.INTRA.DIHEDRAL.0>
11.0513

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.61035

>  <SCORE.INTRA.VDW.0>
-3.33144

>  <SCORE.INTRA.norm>
-0.336055

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.128462

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  202.6338  197.2638  244.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8410  198.6153  244.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7838  199.4880  244.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7154  199.5853  243.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6998  200.5532  244.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7572  201.4636  245.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8259  201.3444  246.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8186  200.3696  245.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6548  202.4634  245.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6793  203.7540  244.7574 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9797  204.4377  244.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1803  203.9089  244.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8835  203.5019  242.7253 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5075  203.0618  242.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3957  203.6640  243.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8343  203.0648  241.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6784  203.3508  240.5938 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9888  202.1340  242.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5674  201.8075  243.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6632  200.9092  243.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2349  200.4496  242.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6717  200.7250  240.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5455  201.5399  240.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3931  199.6450  242.2705 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2778  198.6105  243.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4261  197.4352  242.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0111  199.0652  244.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2737  200.4202  244.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6463  198.6789  242.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7865  199.2133  241.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1403  200.2443  242.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-38.04397729,-115.33760429,-85.74057873,-54.71655229,-145.08116811,-18.57414075
202.23951983,200.98424011,243.44669804,0.39921286,-0.48527455,2.50157014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442541/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.63763

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-6.76237

>  <SCORE.INTRA.DIHEDRAL>
1.48837

>  <SCORE.INTRA.DIHEDRAL.0>
6.49716

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.50656

>  <SCORE.INTRA.VDW.0>
3.90346

>  <SCORE.INTRA.norm>
-0.225412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.154588

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000399

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  197.5991  193.7128  244.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1201  195.0764  245.4391 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9516  195.5043  246.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6243  195.2169  247.7821 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1908  195.9983  246.3824 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3617  197.0723  245.4271 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8568  196.6680  244.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0896  196.2718  244.0712 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.8841  198.4020  245.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5571  198.5917  246.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1173  199.8315  246.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9905  200.9109  246.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3102  200.7505  246.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7516  199.5118  246.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  1  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-60.10101893,198.13747340,197.20558758,245.80095040,3.12050674,-1.39746065
-1.35152154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442542/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.72034

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.679659

>  <SCORE.INTRA.DIHEDRAL>
-0.0649726

>  <SCORE.INTRA.DIHEDRAL.0>
0.792743

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.647172

>  <SCORE.INTRA.VDW.0>
-0.490093

>  <SCORE.INTRA.norm>
-0.048547

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.408596

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.126124

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  197.3362  216.2353  258.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1714  216.2636  257.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3180  217.1937  257.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9460  217.7807  259.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1912  217.2141  259.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2152  218.8649  259.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9896  219.9694  258.7948 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7613  220.1414  258.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8137  219.3828  258.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6073  221.3755  257.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3105  221.2072  255.6928 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7427  220.2488  255.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5855  220.7334  256.8246 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7886  220.0916  256.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6240  220.5677  257.7500 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1037  218.8457  256.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1075  218.4067  255.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9218  219.1250  255.2523 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2209  217.2952  254.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3492  216.5578  254.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3912  216.9465  255.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2922  218.0996  256.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4943  218.3321  257.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5029  217.4397  257.2422 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.0773  219.5295  256.9198 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.1078  218.4549  258.5307 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.3795  215.3126  253.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4270  214.7992  253.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8063  213.5437  252.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0310  213.1200  252.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7181  214.2301  254.0418 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7736  220.5536  258.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2507  218.7895  254.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
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174.76413417,197.34901497,218.01506195,256.45643425,-0.90976324,-0.19982979
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>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.06156

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  204.6477  193.7485  247.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5547  193.3415  249.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4130  194.4609  250.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7585  194.0930  251.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2368  193.9722  251.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7031  195.1401  250.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6054  196.5645  251.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8088  197.5247  250.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4375  197.0831  250.0460 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3557  197.9270  250.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4751  199.1251  250.3825 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0074  197.2994  250.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7251  196.3533  249.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4524  195.7756  248.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4358  196.1434  249.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6917  197.0877  250.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9671  197.6601  250.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1576  198.7539  252.2370 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.8672  195.8358  247.8232 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.2988  196.1075  249.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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M  END
>  <CHROM.1>
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-43.48661666,202.22616936,196.33123961,250.11164858,0.57043055,0.21128958
-2.47458875

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442544/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.299203

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000153

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  222.3353  145.0918  240.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4453  144.9958  239.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1398  144.4656  239.5174 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8141  143.1506  239.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5401  142.3037  238.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4752  145.0593  239.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <CHROM.1>
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>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
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>  <Rbt.Library>
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>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.26766

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015719

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  199.6171  209.2423  249.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2529  209.7865  248.1028 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1025  209.5952  249.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1103  208.2775  248.1052 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.5211  209.4934  251.0783 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.7454  211.4237  248.5288 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.0855  208.4021  249.8888 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
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M  CHG  1   7  -1
M  END
>  <CHROM.1>
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>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
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>  <Rbt.Library>
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>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
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>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
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>  <SCORE.heavy>
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>  <SCORE.norm>
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>  <TransFSReceptor>
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>  <TransFSScore>
0.006738

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  195.5330  216.2399  254.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4673  214.8799  254.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6080  214.0698  254.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5528  212.7741  253.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3650  212.2715  252.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2358  213.1036  252.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2783  214.3896  253.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2542  210.9456  252.4641 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1568  210.1370  252.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0705  210.3536  253.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4681  208.8071  251.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9131  208.9183  251.4423 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.3620  210.1875  252.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4979  210.3752  252.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1483  208.7177  249.9728 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1600  207.7115  249.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6180  208.1899  249.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2518  208.5231  250.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1250  209.6292  250.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7945  210.0109  252.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6062  209.2883  253.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7512  208.1857  253.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0763  207.8014  252.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2237  209.1973  249.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2190  208.2144  248.1381 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.1274  210.5625  248.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0521  211.5580  249.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4022  211.2511  249.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2243  212.0861  250.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7238  213.2943  250.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4310  213.6931  250.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5895  212.8456  249.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2923  213.1534  249.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1023  214.4350  248.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2765  210.9148  248.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  6  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
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 26 35  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
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 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
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M  END
>  <CHROM.1>
145.74533606,-126.98458527,-78.05805689,62.94906043,-141.79506699,22.52228709
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>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
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>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.1562

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  202.3460  201.3154  252.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9141  202.4616  251.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9849  203.0826  252.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4988  202.5778  253.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9306  201.4379  254.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8442  200.8098  253.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2897  199.5859  254.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7153  199.1320  255.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2480  199.0469  253.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5732  204.1960  251.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8597  198.2525  253.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.1259  204.4360  251.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
0.01672828,179.69437216,-178.95263030,203.10847894,201.33168822,253.22393760
1.00677414,-0.69062410,-0.83881083

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442555/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.05846

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-2.34154

>  <SCORE.INTRA.DIHEDRAL>
-4.44694

>  <SCORE.INTRA.DIHEDRAL.0>
4.46188

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.118073

>  <SCORE.INTRA.VDW.0>
0.479135

>  <SCORE.INTRA.norm>
-0.234154

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.405846

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008723

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  201.8761  195.9530  237.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9663  196.9832  237.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6396  196.6730  237.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2350  195.3393  237.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1450  194.3174  237.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4579  194.6130  237.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3735  193.4905  238.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2344  193.0975  239.6225 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5025  194.2642  240.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5804  194.4386  241.1617 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4844  195.1371  240.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8495  192.5996  239.8428 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6568  197.7482  236.9862 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.0404  198.9120  237.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4983  197.4296  236.6827 O   0  5  0  0  0  0  0  0  0  0  0  0
  201.6687  195.8855  241.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2614  193.4140  240.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.8379  192.0839  240.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
91.95314769,-58.35220200,-97.99857110,-87.26632143,-178.27505546,200.74258780
195.42973694,238.42427423,-2.58514491,0.80759539,-2.98460810

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442556/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.38241

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-1.01759

>  <SCORE.INTRA.DIHEDRAL>
1.01855

>  <SCORE.INTRA.DIHEDRAL.0>
1.76045

>  <SCORE.INTRA.POLAR>
-0.178698

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.919296

>  <SCORE.INTRA.VDW.0>
-1.19546

>  <SCORE.INTRA.norm>
-0.0678396

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.558827

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001287

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  222.3720  191.0829  248.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0095  190.8308  247.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9104  191.5225  248.6541 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1540  192.9516  248.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5296  193.2196  249.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5689  192.5119  248.8078 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7141  193.1239  248.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6501  192.3954  247.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.7755  193.0233  247.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0186  194.3541  247.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0170  195.0221  248.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8740  194.4358  248.6326 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7114  190.9447  249.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9632  191.5211  249.8557 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3712  189.6257  248.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9227  188.8418  247.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2820  187.5783  247.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4971  186.3741  246.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6506  185.2890  247.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5986  185.3999  248.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3695  186.5885  248.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2385  187.6586  248.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2783  188.9244  249.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6359  189.2853  249.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
1.64129354,-11.00407239,220.55301647,190.63386089,248.35117949,-0.68602673
-0.34720305,-2.73138205

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442557/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.68746

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-0.712543

>  <SCORE.INTRA.DIHEDRAL>
-2.83836

>  <SCORE.INTRA.DIHEDRAL.0>
3.11491

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.706635

>  <SCORE.INTRA.VDW.0>
0.0746722

>  <SCORE.INTRA.norm>
-0.0309802

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.290759

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005808

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  218.2090  179.5924  249.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6295  179.8428  249.3423 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.7801  179.4002  247.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5822  180.2765  246.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7581  179.7806  245.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1411  178.4420  245.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3338  177.5927  246.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1470  178.0596  247.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5684  180.6231  244.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8449  180.3285  243.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2024  182.1920  247.0012 Se  0  0  0  0  0  0  0  0  0  0  0  0
  220.7080  183.0244  246.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9752  183.0567  246.9470 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.8135  184.0695  248.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7522  185.1090  248.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6058  186.0545  249.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5298  185.9717  250.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6002  184.9402  250.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7369  183.9950  249.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2307  181.7699  247.4959 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5223  181.6822  248.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9926  181.1959  249.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9123  181.3145  249.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
92.65906781,-179.73843352,120.52901301,172.41761087,-80.58846917,-70.74024706
-123.26271414,166.12764985,220.40381423,181.75451426,247.43479970,2.44457131
-1.14956030,-1.81716928

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442558/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.43877

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-7.96123

>  <SCORE.INTRA.DIHEDRAL>
-0.0218468

>  <SCORE.INTRA.DIHEDRAL.0>
3.66455

>  <SCORE.INTRA.POLAR>
-0.999215

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.55298

>  <SCORE.INTRA.VDW.0>
1.81312

>  <SCORE.INTRA.norm>
-0.361874

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.201762

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000321

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  219.4187  179.5995  244.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2941  180.7823  244.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6076  181.6848  243.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5679  182.5676  244.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7508  182.2014  245.4246 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9939  181.0866  245.6416 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2346  183.7758  243.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6038  183.9707  243.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2944  185.0860  243.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6415  186.0128  242.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2934  185.8343  242.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5849  184.7351  242.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8975  184.6902  242.4236 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.1010  181.7153  242.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9937  181.2769  241.8633 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9477  182.2350  241.2034 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6114  182.3058  239.7508 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.2915  182.9994  239.3701 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.0877  183.6267  238.2835 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1944  183.6695  239.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1046  184.4372  239.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3910  184.4061  237.2437 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.9100  184.2968  237.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8752  182.5158  238.3866 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.6565  185.3410  238.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8215  184.5013  236.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6500  183.8268  235.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5665  184.4792  234.8069 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9787  182.5128  235.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8357  182.6182  241.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.0467  182.1538  236.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 30  1  0  0  0  0
 17 16  1  1  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  6  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
28.07615855,-138.28700270,53.74947888,-155.83140627,-3.20311448,220.31268394
183.32851025,240.75766544,1.08053449,0.73655339,2.06870616

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442559/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.98689

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-2.41311

>  <SCORE.INTRA.DIHEDRAL>
1.05108

>  <SCORE.INTRA.DIHEDRAL.0>
10.4226

>  <SCORE.INTRA.POLAR>
0.0615124

>  <SCORE.INTRA.POLAR.0>
-0.362524

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.1478

>  <SCORE.INTRA.VDW.0>
-2.32524

>  <SCORE.INTRA.norm>
-0.0832109

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.240927

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000724

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  207.3868  180.5878  252.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0627  181.8797  253.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0931  182.5619  253.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2018  183.9073  253.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2384  184.6942  254.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1741  184.1595  255.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0082  182.8205  255.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9874  182.0273  254.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3978  184.9914  255.4066 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.1067  185.8061  256.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1659  186.9833  256.3669 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.6263  187.6948  255.1831 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4945  187.1766  254.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7515  188.2329  253.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8106  189.2204  253.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0594  188.8471  254.8053 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7281  188.4945  252.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6632  189.5702  251.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6554  187.5345  251.8609 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8849  187.2663  252.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9762  186.8378  251.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5610  185.5353  250.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5064  184.5281  250.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1106  183.3072  250.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7735  183.0995  249.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8270  184.1196  250.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2031  185.3442  250.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1787  186.4381  250.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9033  185.8811  254.3496 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9747  187.8555  257.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1120  188.8789  257.3549 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.5016  187.2246  258.6930 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.1492  188.4462  257.9468 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.4857  185.4330  253.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  6  0  0  0
  9 29  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  1  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
135.59687093,92.61139658,-178.17764173,179.55573026,-80.03357390,211.49605606
185.89963593,253.85984595,2.69192255,0.65624509,0.56421498

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442560/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.49868

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-7.90132

>  <SCORE.INTRA.DIHEDRAL>
-8.98998

>  <SCORE.INTRA.DIHEDRAL.0>
12.6205

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.40633

>  <SCORE.INTRA.VDW.0>
1.14779

>  <SCORE.INTRA.norm>
-0.239434

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0757176

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  201.6894  211.4512  241.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4552  210.6453  242.2019 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2464  209.1160  242.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0891  208.2383  242.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7742  208.3981  244.3831 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6259  207.5812  244.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9469  208.0087  245.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9145  210.9785  241.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1252  211.2550  241.7191 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0444  211.0454  243.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0078  211.4999  244.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6583  211.8078  245.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3464  211.6527  246.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3773  211.1995  245.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7218  210.9064  244.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  3  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
174.13797612,-122.90990299,63.30537288,83.30519536,202.47819543,210.18585408
243.74218391,0.52989063,1.05767003,-0.56227700

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442561/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.54437

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-2.85563

>  <SCORE.INTRA.DIHEDRAL>
0.800018

>  <SCORE.INTRA.DIHEDRAL.0>
0.844645

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.25564

>  <SCORE.INTRA.VDW.0>
1.8157

>  <SCORE.INTRA.norm>
-0.190375

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.436292

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005517

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  203.5035  206.3667  253.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9610  206.9811  253.9203 As  0  0  0  0  0  0  0  0  0  0  0  0
  201.0383  205.6755  254.3066 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3016  207.8905  255.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9686  208.0042  252.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0181  207.1855  252.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8457  208.6693  255.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5473  208.7816  252.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <CHROM.1>
179.88903145,62.58103695,-62.96335829,201.97533692,207.00872516,253.91220581
-0.80373833,-0.55804873,1.28167399

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442569/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.35341

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08

>  <SCORE.INTRA>
-0.0465946

>  <SCORE.INTRA.DIHEDRAL>
-0.013389

>  <SCORE.INTRA.DIHEDRAL.0>
0.0264296

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0399002

>  <SCORE.INTRA.VDW.0>
-0.0214989

>  <SCORE.INTRA.norm>
-0.00931893

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.07068

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.050169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 41  0  0  0  0  0  0  0  0999 V2000
  209.4039  201.1649  252.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9943  201.0250  250.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2737  202.3491  250.1335 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0477  202.4532  249.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6862  201.4237  248.5359 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5156  200.2315  249.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7031  199.8681  250.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6282  198.5546  250.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6844  198.2045  251.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7097  196.9812  252.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6277  195.9842  251.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
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  210.5170  197.5211  250.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7045  194.6411  252.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7974  193.6568  252.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4363  193.8362  252.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7378  193.1667  252.9306 O   0  0  0  0  0  0  0  0  0  0  0  0
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  203.0463  196.3123  251.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3894  195.4575  252.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6879  194.9524  252.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3980  196.9429  251.0020 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.4700  198.3746  251.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7560  196.3801  249.8336 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6123  196.3866  252.2586 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.6592  197.6901  248.7464 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.6198  196.7900  253.6401 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.1997  199.2721  248.3307 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2112  203.6748  248.5591 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4563  200.9534  250.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1512  193.0837  251.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.5902  194.9927  250.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0589  199.6457  247.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6543  198.7708  247.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.4733  204.3113  248.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3668  203.6159  247.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 32 39  1  0  0  0  0
M  END
>  <CHROM.1>
-18.06947148,30.96362187,13.45861524,86.01746931,-64.89253579,-107.30838562
-172.30563783,-65.93429103,206.73755503,197.62582021,250.92253774,0.53522751
-0.08860864,-0.43598415

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442570/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.71826

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-3.68174

>  <SCORE.INTRA.DIHEDRAL>
-3.21625

>  <SCORE.INTRA.DIHEDRAL.0>
8.03442

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.07362

>  <SCORE.INTRA.VDW.0>
-2.25878

>  <SCORE.INTRA.norm>
-0.111568

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.294493

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000438

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  216.1555  194.8100  244.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7506  195.3842  246.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1822  194.8973  246.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
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  221.1917  195.5414  247.5145 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3534  194.7566  248.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
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  214.4489  188.9734  243.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4178  189.8761  243.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
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  217.1324  191.5791  243.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9599  192.3579  244.2204 N   0  0  0  0  0  0  0  0  0  0  0  0
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  218.1243  192.8093  242.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2658  191.8097  242.1437 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2211  193.7974  243.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 21  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-179.46461886,177.30162648,89.32784128,67.13895300,-121.80894884,-61.56694625
0.78782697,218.79981673,192.82936469,246.37107477,-2.78203895,0.62278021
1.77847236

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442571/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.70115

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-3.69885

>  <SCORE.INTRA.DIHEDRAL>
-1.91485

>  <SCORE.INTRA.DIHEDRAL.0>
10.086

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0218706

>  <SCORE.INTRA.REPUL.0>
0.0218706

>  <SCORE.INTRA.VDW>
-2.63207

>  <SCORE.INTRA.VDW.0>
-3.46065

>  <SCORE.INTRA.norm>
-0.115589

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.271911

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018226

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 42  0  0  0  0  0  0  0  0999 V2000
  204.3468  190.8399  235.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9653  189.8752  236.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8419  189.9135  237.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0871  190.9036  238.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5237  191.9033  237.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6400  191.8516  235.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2366  191.0947  239.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0709  189.8570  240.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0478  189.8654  241.6660 S   0  0  0  0  0  0  0  0  0  0  0  0
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  201.7860  192.1767  242.0644 N   0  0  0  0  0  0  0  0  0  0  0  0
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  204.5848  197.9038  244.6202 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 36  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <CHROM.1>
-51.58812847,-2.58644437,-133.88896496,52.31004119,203.65329873,195.20465312
243.55554298,1.83620654,1.47792749,-2.53008610

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442572/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.8076

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.261111

>  <SCORE.INTRA>
-4.5924

>  <SCORE.INTRA.DIHEDRAL>
-6.48576

>  <SCORE.INTRA.DIHEDRAL.0>
11.6933

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.34952

>  <SCORE.INTRA.VDW.0>
-2.09223

>  <SCORE.INTRA.norm>
-0.127567

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.133545

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000761

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  189.1130  221.0103  256.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3057  221.0444  254.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2146  221.9436  254.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9420  222.7967  254.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7571  222.7557  256.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8246  221.8772  256.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5979  221.7973  258.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7653  221.1040  259.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6157  219.7891  259.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6731  219.1379  260.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8909  219.7926  260.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0605  221.0922  259.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0057  221.7436  259.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1915  218.9905  261.1650 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.1807  223.1154  259.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8317  224.1505  259.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9420  223.0684  259.6337 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4404  221.9969  252.3913 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.6580  223.9045  260.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
104.71812018,-105.49231848,-60.62067542,-178.80335318,190.89930637,221.40110616
257.70551244,2.06926680,0.68144238,-1.57350467

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442573/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.75077

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-0.649231

>  <SCORE.INTRA.DIHEDRAL>
-0.104383

>  <SCORE.INTRA.DIHEDRAL.0>
2.59691

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.597039

>  <SCORE.INTRA.VDW.0>
-1.79997

>  <SCORE.INTRA.norm>
-0.0360684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.430598

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004813

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  202.3029  222.2904  258.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9261  220.8420  258.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7341  220.3034  258.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3630  221.1709  259.4479 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.1719  219.7874  258.0090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.5730  222.5491  259.9273 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <CHROM.1>
116.44725281,201.93607948,221.17274595,259.02475030,0.08572382,0.11789946
0.57064193

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442574/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39384

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-0.00616177

>  <SCORE.INTRA.DIHEDRAL>
-0.0450935

>  <SCORE.INTRA.DIHEDRAL.0>
0.321015

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.016385

>  <SCORE.INTRA.VDW.0>
-0.612928

>  <SCORE.INTRA.norm>
-0.00102696

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.06564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.197294

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  202.8274  182.1093  247.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2881  181.6422  247.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6441  181.5916  248.8618 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.9947  182.8151  249.3933 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6630  182.8664  248.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8507  184.2638  249.5961 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.9023  185.2927  249.9743 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0294  184.0036  250.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4209  184.6800  247.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5191  184.7128  246.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9902  184.9635  245.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3489  185.2124  245.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2358  185.2448  246.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7708  184.9873  247.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9338  185.4671  243.7859 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.0232  181.2093  249.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1438  180.1934  250.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0997  182.0014  248.9707 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3620  182.2199  247.6144 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6195  182.3493  247.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0844  182.3738  245.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3326  182.4771  245.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1239  182.5240  243.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7634  182.4462  243.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1288  182.3430  244.9601 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8913  182.4884  242.1166 Br  0  0  0  0  0  0  0  0  0  0  0  0
  207.3496  182.7991  249.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-116.96376581,173.24292474,51.38722638,-56.09557691,-146.97528845,-178.85611786
206.50155267,183.21168525,246.40135384,2.31511924,-0.76345857,2.10231069

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442575/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.50654

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-5.89346

>  <SCORE.INTRA.DIHEDRAL>
-1.2294

>  <SCORE.INTRA.DIHEDRAL.0>
4.11944

>  <SCORE.INTRA.POLAR>
-0.415868

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.86481

>  <SCORE.INTRA.VDW.0>
-3.14702

>  <SCORE.INTRA.norm>
-0.226672

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.21179

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  212.0893  187.6065  245.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3897  188.2867  246.4260 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0899  187.3725  247.6270 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.2432  188.0479  248.9874 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.8332  186.9977  249.8476 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2281  186.0770  249.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0113  186.2791  247.6934 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8979  184.7695  249.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2999  184.7567  251.1729 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.7987  183.4185  249.0694 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.4113  184.6021  248.4965 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.8857  188.4683  249.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1951  189.5157  248.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0190  189.3413  248.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7540  188.7078  246.4206 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9279  189.1720  247.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 15  1  0  0  0  0
  3  2  1  6  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  1  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-174.34348923,177.77610770,-64.19421950,-8.65169554,117.44847004,212.93928429
186.33629767,248.62260104,-2.38232707,-0.75241444,2.07213523

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442576/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.84792

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-1.55208

>  <SCORE.INTRA.DIHEDRAL>
-0.418164

>  <SCORE.INTRA.DIHEDRAL.0>
1.51904

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.34299

>  <SCORE.INTRA.VDW.0>
-1.21066

>  <SCORE.INTRA.norm>
-0.103472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.523195

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008130

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 34  0  0  0  0  0  0  0  0999 V2000
  191.7654  222.5175  256.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6704  223.7206  255.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3990  224.1095  256.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7705  223.2643  256.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5737  222.2364  257.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4700  223.4751  257.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7846  224.5843  256.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4515  225.4514  255.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7702  225.2188  255.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4114  224.9068  257.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6480  224.2821  258.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4037  225.0937  258.4237 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.2308  225.4761  259.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9176  226.7907  260.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7651  227.1701  261.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9037  226.2207  262.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1553  224.8922  262.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3121  224.5169  260.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2613  223.7017  263.4657 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  183.6855  227.7292  259.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5695  227.5583  258.1275 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.5211  226.2334  257.4687 N   0  0  1  0  0  0  0  0  0  0  0  0
  185.7940  226.0493  256.8157 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.1369  228.5934  257.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8719  229.6445  256.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0942  230.4989  255.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7934  230.0600  255.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5238  228.6161  256.5061 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.7816  226.1032  255.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 23  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  1  0  0  0
 12 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  6  0  0  0
 22 23  1  1  0  0  0
 23 29  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
2.76304480,118.77503829,185.88828575,225.79933201,258.28049258,-0.00177487
-0.60626209,2.17100696

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442577/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.04704

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.264286

>  <SCORE.INTRA>
-2.35296

>  <SCORE.INTRA.DIHEDRAL>
-5.21717

>  <SCORE.INTRA.DIHEDRAL.0>
5.74439

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.255627

>  <SCORE.INTRA.VDW.0>
-1.65111

>  <SCORE.INTRA.norm>
-0.0840342

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.180251

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  189.4266  220.7887  262.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0987  221.5916  261.3475 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3231  222.4769  260.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9267  223.7051  260.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2547  224.6965  259.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9721  224.4680  259.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3702  223.2279  259.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0420  222.2354  260.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2501  225.4216  258.4327 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6651  226.6944  258.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7332  227.2303  258.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6335  227.4362  257.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5076  226.9174  255.9896 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.3256  225.1532  258.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
142.03370621,-0.17790495,-70.47562616,188.28576017,224.44469157,259.24660756
1.17232323,0.54319970,2.68474431

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442586/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.03959

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-1.36041

>  <SCORE.INTRA.DIHEDRAL>
0.966292

>  <SCORE.INTRA.DIHEDRAL.0>
2.27602

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.84355

>  <SCORE.INTRA.VDW.0>
2.54773

>  <SCORE.INTRA.norm>
-0.104647

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.541507

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  211.9610  194.5626  238.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3241  193.2677  238.7106 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.7013  192.1598  237.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5166  191.1226  237.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1448  190.8334  239.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6593  191.0523  240.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5040  191.8236  240.7660 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5118  193.1261  240.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4571  194.0991  240.9882 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9088  191.7056  242.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6975  192.3025  243.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4930  193.7804  243.5430 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.5453  194.2689  242.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6324  194.4057  244.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1043  194.4568  245.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6572  194.8595  245.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2236  194.1580  244.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4511  190.4980  241.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8897  190.1946  236.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
69.64963024,84.07346521,-44.78928364,211.87537645,192.72517373,241.25886047
1.18996542,1.17897470,-1.60363082

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442587/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.11216

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-2.28784

>  <SCORE.INTRA.DIHEDRAL>
2.26868

>  <SCORE.INTRA.DIHEDRAL.0>
0.638277

>  <SCORE.INTRA.POLAR>
-1.36517

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.2194

>  <SCORE.INTRA.VDW.0>
-0.649648

>  <SCORE.INTRA.norm>
-0.127102

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.339564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007287

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 51  0  0  0  0  0  0  0  0999 V2000
  208.5236  194.6252  259.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7370  195.2532  260.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2070  196.1526  259.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5105  196.4660  257.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2202  195.8594  257.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7660  194.9391  258.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2316  196.1862  256.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7226  195.0555  255.9681 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0226  195.3720  254.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8153  196.4871  254.3999 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5229  194.1471  254.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1244  194.2481  252.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6542  193.1276  252.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5842  191.8977  252.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9777  191.7884  254.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4478  192.9151  254.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0966  190.7130  252.1294 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.7478  190.8536  250.9495 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0654  189.6413  252.7514 O   0  5  0  0  0  0  0  0  0  0  0  0
  210.1143  197.3086  256.9307 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2811  198.1155  255.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3821  197.6631  254.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0172  196.2703  254.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9024  195.8507  253.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0205  196.5539  252.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5843  194.3999  252.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2317  193.8859  251.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9011  192.5362  251.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9265  191.6913  252.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2824  192.1899  253.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6126  193.5438  254.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5763  190.2722  252.5213 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.2636  189.8744  251.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6123  189.5575  253.5349 O   0  5  0  0  0  0  0  0  0  0  0  0
  211.5680  197.5587  256.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4498  196.2968  256.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9990  195.3142  255.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2324  195.6674  254.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6165  196.7569  254.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9171  194.5696  253.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8025  194.9220  252.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4661  193.9649  251.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2482  192.6451  251.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3655  192.2769  253.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7040  193.2464  254.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8821  191.6373  250.7004 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.7863  192.0087  249.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6930  190.4754  251.0904 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 45  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 46  1  0  0  0  0
 44 45  2  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
M  CHG  6  17   1  19  -1  32   1  34  -1  46   1  48  -1
M  END
>  <CHROM.1>
-154.08022358,126.88551572,-169.30134795,1.73727355,-161.92160832,-111.58638416
45.19301276,57.14557745,171.27282446,-3.45974563,170.15392479,53.81564711
70.29812519,-9.30341648,164.68750539,208.58290464,193.98215604,254.09560913
1.04202093,0.29841937,0.91082966

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442588/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.17685

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.425

>  <SCORE.INTRA>
-17.2231

>  <SCORE.INTRA.DIHEDRAL>
-6.62807

>  <SCORE.INTRA.DIHEDRAL.0>
18.7449

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0551994

>  <SCORE.INTRA.REPUL.0>
0.0551994

>  <SCORE.INTRA.VDW>
-13.6331

>  <SCORE.INTRA.VDW.0>
4.05424

>  <SCORE.INTRA.norm>
-0.358816

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
0.0661844

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004969

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  188.7049  207.5126  259.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1842  208.5119  258.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4512  207.9407  257.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0691  208.5156  257.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4786  209.9257  259.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0035  211.0823  258.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1974  212.3910  259.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8967  212.5285  260.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4987  211.4344  260.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2445  210.1469  260.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7690  209.0635  261.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3343  211.6963  262.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7835  211.2395  261.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3643  213.1733  262.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7997  210.9059  263.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6261  213.5899  258.2594 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.2057  213.9222  258.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0860  213.6480  257.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8111  214.1111  258.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5842  214.8616  259.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7189  215.0800  260.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9983  214.6161  259.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3516  215.4321  259.7948 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8849  216.6541  259.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2672  214.6219  260.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4842  214.8143  258.2119 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9318  215.9198  257.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0037  215.6794  255.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3474  215.4303  255.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9243  214.3400  256.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8509  214.5610  257.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2835  208.5777  260.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16  7  1  1  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-134.26373070,91.31916916,-118.48388595,54.75266453,-109.04182045,177.33715196
-76.97535855,188.53823688,212.67570600,259.24818809,0.75497676,-0.29028356
2.55067047

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442589/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.31481

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-4.08519

>  <SCORE.INTRA.DIHEDRAL>
-1.27099

>  <SCORE.INTRA.DIHEDRAL.0>
7.85102

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.4497

>  <SCORE.INTRA.VDW.0>
3.41625

>  <SCORE.INTRA.norm>
-0.13178

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.235962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014926

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  210.9834  189.2804  237.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1649  188.3943  239.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5979  187.8321  239.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9877  188.7823  239.1351 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.7666  186.4794  239.2397 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6910  185.6665  239.5707 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4438  186.1217  239.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1395  187.3422  238.9174 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3304  185.1236  239.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0582  185.5384  238.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0058  184.6234  238.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2216  183.2967  239.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4880  182.8795  239.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5434  183.7893  239.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8150  189.1807  240.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7006  186.1220  239.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8569  184.6807  239.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-178.43122385,210.64429076,186.54328681,239.12125819,0.75767135,-0.13498297
-0.13056595

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442590/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.42157

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.978433

>  <SCORE.INTRA.DIHEDRAL>
-2.92339

>  <SCORE.INTRA.DIHEDRAL.0>
2.96239

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.483263

>  <SCORE.INTRA.VDW.0>
-0.373324

>  <SCORE.INTRA.norm>
-0.0652289

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.361438

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004370

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  197.2212  219.9570  250.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1343  219.3771  251.1612 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0312  220.1708  251.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4058  220.8952  250.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3157  221.6552  250.5917 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.7601  221.6608  251.8125 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3503  220.9480  252.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5103  220.2136  252.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9878  219.3751  253.6470 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7212  222.4734  249.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1508  223.7901  249.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5304  224.5675  248.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4990  224.0290  247.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0746  222.7171  247.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6786  221.9341  248.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1496  218.4130  253.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7345  219.7277  254.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
48.81587323,-89.22548050,-42.45978551,193.70971427,221.50981892,250.47529673
-0.90094232,0.44543835,-1.12602278

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442591/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.09199

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-1.30801

>  <SCORE.INTRA.DIHEDRAL>
1.54971

>  <SCORE.INTRA.DIHEDRAL.0>
2.2794

>  <SCORE.INTRA.POLAR>
0.00541176

>  <SCORE.INTRA.POLAR.0>
-0.00541176

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.10126

>  <SCORE.INTRA.VDW.0>
1.81526

>  <SCORE.INTRA.norm>
-0.0872006

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.472799

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001309

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 27  0  0  0  0  0  0  0  0999 V2000
  201.9399  216.5140  252.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5995  217.1545  251.8797 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0101  216.7031  250.5449 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.5328  217.0473  250.7316 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2771  216.8025  252.2450 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.5878  216.8704  252.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6866  215.3905  252.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6694  214.3602  252.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4132  217.7984  252.8169 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1704  217.6221  254.5207 P   0  0  0  0  0  0  0  0  0  0  0  0
  198.5241  218.2448  254.8379 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0664  218.8175  254.5195 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9276  217.4459  256.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2869  218.4241  250.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1998  215.3145  250.3008 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6478  217.2465  253.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8109  217.2150  254.7771 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.0620  217.6324  255.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1000  218.6343  254.4178 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9741  217.1836  256.2909 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0711  214.4233  251.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1662  218.4665  254.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0433  217.0196  256.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5270  218.5290  249.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9220  215.1121  249.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1615  218.4519  254.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0371  217.2958  256.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  1  0  0  0
  4  5  1  0  0  0  0
  4 14  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <CHROM.1>
161.42249626,66.41944505,-171.70970468,61.16683926,75.85221241,-176.68317357
-56.52159432,78.39303277,89.09676939,160.14814702,162.05126309,107.93391263
-6.84890072,199.45765503,217.16696919,253.37146687,-0.19743915,0.09405540
-1.88080589

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442592/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.32416

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-10.0758

>  <SCORE.INTRA.DIHEDRAL>
-3.1796

>  <SCORE.INTRA.DIHEDRAL.0>
11.2075

>  <SCORE.INTRA.POLAR>
-1.95559

>  <SCORE.INTRA.POLAR.0>
-1.4184

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.83704

>  <SCORE.INTRA.VDW.0>
-1.65683

>  <SCORE.INTRA.norm>
-0.503792

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.0662079

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004746

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  188.4715  219.2466  248.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8545  219.8197  248.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7806  218.8601  248.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1269  217.4680  248.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6631  217.7374  248.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2082  216.6823  246.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0084  215.4320  247.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8652  215.2058  248.6783 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8570  216.5601  249.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6701  214.4271  249.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8139  213.7238  250.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8274  214.6977  251.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5169  215.4525  251.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4228  214.9127  251.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5666  216.9196  251.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7722  217.5973  252.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7593  218.9781  252.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5461  219.6690  252.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3462  219.0038  252.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3525  217.6223  251.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5411  220.9904  252.4546 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
156.65836510,68.81684152,62.40070018,43.30450726,-4.45025532,189.32696048
217.21999800,250.16761528,-2.41584320,-1.12864630,3.01500153

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442593/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64051

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-3.75949

>  <SCORE.INTRA.DIHEDRAL>
-0.387562

>  <SCORE.INTRA.DIHEDRAL.0>
4.09754

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.56571

>  <SCORE.INTRA.VDW.0>
1.12221

>  <SCORE.INTRA.norm>
-0.179023

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.316215

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000534

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  203.1595  214.4790  248.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3066  215.3935  248.1411 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3210  214.8268  247.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0658  215.4207  247.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9891  214.9446  246.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1444  213.8807  245.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4089  213.2832  245.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4902  213.7560  246.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1015  213.4272  245.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2385  212.0639  244.2649 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.9671  211.5674  243.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3444  211.9709  243.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6697  210.7786  245.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1100  210.8352  246.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4106  209.8384  247.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2649  208.7763  247.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8156  208.7321  246.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5149  209.7278  245.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6072  207.7445  248.2682 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1716  207.6319  249.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3627  208.3833  250.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7199  206.4482  250.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0411  206.2331  250.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0671  207.0480  249.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9818  208.3506  249.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2050  208.8176  248.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2041  207.8767  249.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6731  206.4533  249.8385 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.8325  205.5786  251.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1605  204.5331  251.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0188  203.8336  252.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8470  204.3742  251.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1271  205.7169  250.8876 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.2320  207.0327  247.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 29 33  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
136.72124442,-169.81045677,169.08289194,36.28905059,-0.34679228,57.65957483
-173.64792883,20.15552475,199.86125980,209.65615081,248.03740485,-1.55323617
0.40751515,2.55810251

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442594/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.3721

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-10.0279

>  <SCORE.INTRA.DIHEDRAL>
-21.9579

>  <SCORE.INTRA.DIHEDRAL.0>
34.2623

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.951046

>  <SCORE.INTRA.VDW.0>
-2.6431

>  <SCORE.INTRA.norm>
-0.303876

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.102185

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000030

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  220.5438  180.1646  247.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8468  181.2462  246.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3023  181.2066  245.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6292  182.2735  244.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4415  182.3083  243.9305 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4724  183.3606  243.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8450  184.2558  242.9406 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.2889  185.0343  242.3199 N   0  5  0  0  0  0  0  0  0  0  0  0
  220.0968  180.2118  248.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7760  179.1482  249.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9633  179.1153  249.9178 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9342  178.0626  250.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5626  177.1770  250.9325 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.1199  176.4061  251.5618 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
M  CHG  4   7   1   8  -1  13   1  14  -1
M  END
>  <CHROM.1>
179.53501952,-179.98284976,-179.73101428,-68.20071298,179.46735624,68.21710157
-178.95182770,220.20159473,180.71222287,246.93037590,-1.41761405,-0.42398976
-0.83655216

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442595/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35665

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-5.04335

>  <SCORE.INTRA.DIHEDRAL>
-7.90954

>  <SCORE.INTRA.DIHEDRAL.0>
10.7553

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08858

>  <SCORE.INTRA.VDW.0>
0.223176

>  <SCORE.INTRA.norm>
-0.36024

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.525475

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009413

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  201.4757  189.5761  255.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9066  190.0573  255.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3458  190.9343  254.7752 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2709  192.4020  254.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0327  193.0843  254.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0224  190.4016  253.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2506  189.0243  253.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8989  188.5198  252.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3432  189.3416  251.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1560  190.7087  251.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5082  191.2208  252.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9494  188.7462  250.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1100  187.4142  250.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7148  186.5202  251.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9111  185.3104  251.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0873  187.1269  252.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6537  186.8686  248.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0254  187.5722  247.8118 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4618  186.6544  246.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3556  185.3861  247.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8428  185.5117  248.6653 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6663  184.0436  246.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4567  182.9156  247.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7982  181.6372  247.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3466  181.4799  246.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5506  182.5758  245.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2099  183.8539  245.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6874  180.2576  245.6009 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
96.54094480,-94.81135138,3.44062142,-0.00885813,178.56011753,205.76547598
187.06613959,250.37430963,2.53234796,1.07466462,-0.13094461

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442596/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.74763

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-2.65237

>  <SCORE.INTRA.DIHEDRAL>
-0.941156

>  <SCORE.INTRA.DIHEDRAL.0>
4.69502

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.18179

>  <SCORE.INTRA.VDW.0>
2.88067

>  <SCORE.INTRA.norm>
-0.0947275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.276701

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004296

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  180.0863  207.1024  261.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7914  207.7112  262.4419 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.4969  208.8352  262.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2917  209.9396  262.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9375  211.1491  262.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8161  211.2642  261.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0647  210.1294  260.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4054  208.9252  261.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4804  212.6053  261.2808 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.9238  213.3323  260.0251 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.9458  213.6528  258.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6327  214.1995  257.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2606  213.4027  259.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7867  212.8513  260.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9935  212.4875  261.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5788  211.8604  262.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0644  211.3401  263.6475 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5127  212.7372  260.3228 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.7836  210.9249  260.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7459  210.3173  258.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4819  210.6199  258.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2797  209.9842  258.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1278  210.1969  257.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1634  211.0544  256.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3480  211.7091  256.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5022  211.4973  257.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7119  212.6660  259.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7052  212.1246  258.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.6453  212.7373  260.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.4371  212.0923  259.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9033  213.6844  258.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  6  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
130.50643641,-107.19953689,-112.37827373,-116.76557383,85.80026092,-55.36244693
-73.39173498,-177.17736070,183.89627743,211.37177854,260.08195188,-2.59338011
-0.10677228,-0.98782644

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442597/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.74657

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-4.65343

>  <SCORE.INTRA.DIHEDRAL>
0.93447

>  <SCORE.INTRA.DIHEDRAL.0>
8.49247

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.12066

>  <SCORE.INTRA.VDW.0>
-1.56746

>  <SCORE.INTRA.norm>
-0.155114

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.291552

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000821

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  193.1390  215.1847  261.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4280  214.6244  262.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3881  214.1564  263.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0798  214.2316  262.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7830  214.7760  261.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8077  215.2685  260.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5895  215.8180  259.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5163  216.0220  258.6648 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2632  216.1375  259.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8369  216.6923  258.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5668  217.2887  258.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9891  217.7494  256.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6742  217.6293  255.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9419  217.0602  255.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5389  216.5890  256.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6035  216.9356  254.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1060  218.0534  254.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7398  218.3043  256.8616 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4697  214.7757  261.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0301  213.7706  263.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8061  214.5485  263.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0376  214.0589  264.1397 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7697  215.0161  262.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9903  217.3098  253.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2293  218.3956  254.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.3839  218.2955  257.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4427  215.2713  260.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.2058  213.9007  263.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6875  214.9630  262.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <CHROM.1>
179.89423034,-178.95569246,174.30137329,9.74692551,179.28084348,-164.07392236
-0.35711543,-0.07399564,-0.07122001,-178.82306087,190.97805010,215.86944593
259.57351521,-1.01919234,0.07494069,-1.19673439

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442598/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.22383

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-11.6238

>  <SCORE.INTRA.DIHEDRAL>
-18.6289

>  <SCORE.INTRA.DIHEDRAL.0>
19.983

>  <SCORE.INTRA.POLAR>
-0.879674

>  <SCORE.INTRA.POLAR.0>
-1.05111

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.681483

>  <SCORE.INTRA.VDW.0>
1.14721

>  <SCORE.INTRA.norm>
-0.505384

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.0966884

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010516

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  211.2282  187.5187  251.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9407  187.7118  251.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8460  187.6773  250.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0263  187.4382  249.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3278  187.2507  249.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4242  187.2816  249.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8433  187.4648  248.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4459  186.0340  248.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1455  185.1738  249.3637 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8931  183.7582  248.9704 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4217  182.7530  250.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9258  182.8232  250.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6122  181.8094  250.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4005  184.0783  250.5056 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3167  184.3055  251.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6805  184.1912  251.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6178  184.4436  252.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1840  184.7430  253.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8288  184.8092  253.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8894  184.6084  252.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0865  184.9680  254.5141 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.3695  183.5716  248.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8361  182.9138  247.9206 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6368  184.2352  249.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3580  185.5557  249.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.8271  184.8744  250.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6741  184.1316  249.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  1  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
-104.66258844,56.45428183,-174.36365542,144.47045469,-62.59706407,139.90397657
-127.00021994,132.46905856,86.50294668,179.17412905,209.15193902,185.01319627
250.62216182,0.00541921,-0.61826353,-0.30998126

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442599/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.51339

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-7.88661

>  <SCORE.INTRA.DIHEDRAL>
0.630136

>  <SCORE.INTRA.DIHEDRAL.0>
4.98758

>  <SCORE.INTRA.POLAR>
-0.75262

>  <SCORE.INTRA.POLAR.0>
-0.197934

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.64277

>  <SCORE.INTRA.VDW.0>
-0.682335

>  <SCORE.INTRA.norm>
-0.328609

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.271391

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001946

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  212.5170  195.2446  247.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3658  193.9095  247.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5126  193.1023  247.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4808  191.8699  248.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5480  191.4800  248.7836 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6051  191.1741  247.7428 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8490  189.8093  248.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0590  189.2469  247.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3449  187.8970  247.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4184  187.1158  248.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1998  187.6594  248.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9151  188.9933  248.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5668  187.4490  247.4147 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2150  186.5220  248.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6096  186.1656  247.7630 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.5127  187.4247  247.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0249  188.4296  246.7734 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.5142  189.8076  246.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0446  189.8722  246.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8986  190.6827  245.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0802  190.3880  248.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1569  185.1488  248.6121 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3026  191.7065  247.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.0033  188.4232  246.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.0280  184.9065  248.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.55075906,1.37890802,-179.55271925,142.05846012,-175.95025402,62.93016838
-64.87517748,177.97963505,159.91051636,61.64980473,216.79426504,189.54584328
247.77176739,-2.55023833,-0.20359495,2.90368670

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442600/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.48598

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.654545

>  <SCORE.INTRA>
-7.91402

>  <SCORE.INTRA.DIHEDRAL>
-7.04173

>  <SCORE.INTRA.DIHEDRAL.0>
9.75041

>  <SCORE.INTRA.POLAR>
-0.832688

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.56202

>  <SCORE.INTRA.VDW.0>
5.24145

>  <SCORE.INTRA.norm>
-0.359728

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.294817

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000653

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  191.3290  193.7996  261.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8548  193.4778  261.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1112  194.5997  262.2068 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7363  194.4998  262.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0955  193.4659  262.2449 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2186  195.8806  262.9689 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.2356  196.8310  263.6525 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.6212  198.4003  263.0515 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.1285  199.8613  262.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9809  200.6889  261.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0498  200.0292  260.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8533  198.7500  260.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3104  197.8805  261.8452 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.1213  197.1210  261.1155 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.9435  196.7350  261.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8345  197.0981  261.3977 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5367  197.1463  262.4625 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5872  197.0547  263.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3936  196.5916  264.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2012  196.5159  265.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1103  197.1872  266.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1835  197.8734  266.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4604  197.7779  264.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9518  197.3651  268.0982 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7097  196.1816  268.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7782  197.6723  260.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7 19  1  6  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.88857345,7.29196171,-19.78406035,53.16291404,189.08907127,196.87920459
263.31545694,2.95362832,-1.23800138,-0.22210520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442601/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.89134

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-3.50866

>  <SCORE.INTRA.DIHEDRAL>
-2.15427

>  <SCORE.INTRA.DIHEDRAL.0>
6.98

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.000608751

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.43457

>  <SCORE.INTRA.VDW.0>
1.41737

>  <SCORE.INTRA.norm>
-0.140346

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.235654

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000229

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  193.4986  186.6700  252.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8126  186.4173  251.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3270  187.6145  250.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5404  188.5621  249.8918 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4585  189.4744  249.5082 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4246  190.7396  248.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6621  191.2804  248.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9285  190.1847  249.4335 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7036  189.0374  249.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6816  187.8925  250.4482 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1570  192.5571  248.0911 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3383  192.2638  247.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4875  193.0740  247.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5350  192.8873  246.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4697  191.8804  245.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3533  191.0465  245.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2915  191.2350  246.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8862  193.9449  246.3824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.1227  193.4900  247.3990 N   0  3  2  0  0  0  0  0  0  0  0  0
  194.2164  193.0764  247.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1553  193.4897  245.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3921  194.2281  245.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5670  195.6299  245.8605 N   0  3  1  0  0  0  0  0  0  0  0  0
  195.8877  196.2515  245.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3361  195.7497  247.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1115  194.9368  247.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9279  196.2067  245.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2532  191.3292  248.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5274  190.6955  248.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  7  1  6  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  1  0  0  0
 19 26  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
M  CHG  2  19   1  23   1
M  END
>  <CHROM.1>
-85.14723844,0.92057226,-131.41640704,-133.11972720,8.73212871,196.44254221
191.70695983,247.93927239,-2.07274081,0.25793728,-0.49189373

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442610/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19585

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-2.20415

>  <SCORE.INTRA.DIHEDRAL>
2.48402

>  <SCORE.INTRA.DIHEDRAL.0>
3.44613

>  <SCORE.INTRA.POLAR>
-1.3471

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.13398

>  <SCORE.INTRA.VDW.0>
-3.75575

>  <SCORE.INTRA.norm>
-0.0847748

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.276764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  197.1795  198.9639  245.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2696  199.6957  243.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5140  200.1317  243.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6813  199.8437  244.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5837  199.1032  245.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3334  198.6642  245.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9740  200.4027  243.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9684  201.0034  242.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0980  200.1445  244.3709 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7117  201.1491  245.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0442  201.1562  245.1711 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3155  202.3225  245.7820 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2163  202.9958  246.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1563  202.2131  245.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3359  202.3763  246.3066 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.3285  204.2389  247.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5820  204.8125  247.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6850  206.0072  248.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5360  206.6384  248.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2857  206.0900  248.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1849  204.9057  247.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6644  208.0965  249.4087 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.7469  199.4556  244.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.2870  202.6047  245.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-5.16689620,-109.03040385,-142.90647648,0.44017140,201.52497415,202.64173213
246.10157964,2.09569822,-0.18044888,-2.49635159

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442611/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.75196

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-2.64804

>  <SCORE.INTRA.DIHEDRAL>
-3.6461

>  <SCORE.INTRA.DIHEDRAL.0>
4.65535

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.824987

>  <SCORE.INTRA.VDW.0>
-2.0537

>  <SCORE.INTRA.norm>
-0.120365

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.306907

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000150

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  204.2226  215.0374  255.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3996  216.4075  255.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3355  217.2405  255.1000 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.0744  216.7364  255.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8463  215.3684  255.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9326  214.5164  255.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7089  213.0713  255.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6919  212.2803  255.8293 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1864  210.9848  255.9821 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5535  218.7160  255.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8568  219.3848  256.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5629  219.0881  257.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3314  217.6658  257.9790 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.3919  216.8402  258.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2048  215.4959  258.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9099  215.0001  258.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8278  215.8610  258.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0657  217.2010  258.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6776  213.5629  258.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6648  212.7284  258.8160 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1524  211.4439  259.0281 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4040  210.5551  255.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1230  211.0617  258.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2   3   1  13   1
M  END
>  <CHROM.1>
-117.53787385,5.68209910,100.84354943,71.75030165,-71.66544346,121.68403206
-4.22784580,98.77489205,203.17992122,215.37388230,256.86203262,-1.65671455
1.56739114,-0.05996329

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442612/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.45993

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-7.94007

>  <SCORE.INTRA.DIHEDRAL>
-2.85244

>  <SCORE.INTRA.DIHEDRAL.0>
6.63096

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.11384

>  <SCORE.INTRA.VDW.0>
-0.82367

>  <SCORE.INTRA.norm>
-0.378098

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.164759

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000933

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  205.9669  191.5298  245.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8088  191.0021  245.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8120  190.6779  244.7692 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1311  189.3275  244.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1070  188.1963  244.9973 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1025  187.3090  245.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0596  187.3747  244.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3873  186.2577  246.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8353  186.5806  246.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1132  187.8431  245.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1696  188.4550  245.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4839  190.5817  245.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6771  189.1755  247.0558 Hg  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
78.87815059,64.15976611,-56.33352957,101.52379325,203.36933200,189.00349618
246.27410344,0.36939613,0.61772254,0.08739739

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442613/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.70388

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-1.69612

>  <SCORE.INTRA.DIHEDRAL>
0.873078

>  <SCORE.INTRA.DIHEDRAL.0>
3.11124

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.13266

>  <SCORE.INTRA.VDW.0>
-0.108254

>  <SCORE.INTRA.norm>
-0.130471

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.592606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043752

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  192.5073  203.2436  249.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7368  204.3808  249.4493 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9443  204.3483  248.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3562  205.5753  248.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7962  206.3927  249.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5202  207.7243  249.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1236  208.2444  250.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9939  207.4707  251.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5219  208.2466  252.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8441  209.6162  252.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9882  209.5415  251.3185 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1327  210.5170  250.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4128  210.3461  249.8385 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1560  211.7287  251.5006 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2615  211.9298  252.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6993  211.9776  253.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8728  212.0988  254.9900 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5545  212.1376  254.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0211  212.1368  253.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8955  212.0641  252.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2915  206.1481  251.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6723  205.6235  250.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3642  212.5395  250.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 22  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-90.07053510,109.14906845,190.43064401,208.71504666,251.31860995,-1.07092563
-0.76324102,0.86560525

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442614/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30958

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-1.09042

>  <SCORE.INTRA.DIHEDRAL>
-0.00832995

>  <SCORE.INTRA.DIHEDRAL.0>
0.964905

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08625

>  <SCORE.INTRA.VDW.0>
-0.314499

>  <SCORE.INTRA.norm>
-0.0495645

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.286799

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000317

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 36  0  0  0  0  0  0  0  0999 V2000
  223.1148  185.4265  251.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3379  185.6160  250.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8402  185.6238  249.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0107  185.7772  250.5849 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1566  185.9822  249.4357 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.6864  185.8380  249.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3766  184.4948  250.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1378  184.2476  251.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1067  185.1652  252.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8724  184.9745  254.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6796  183.8378  254.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7223  182.9216  253.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9622  183.1239  251.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5097  183.5370  255.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8254  186.0301  254.9570 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3436  185.8062  256.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4505  187.3817  248.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5415  187.8554  247.7064 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.4570  189.3904  247.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5793  190.0031  248.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0866  189.6900  250.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3281  190.1833  250.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8327  189.9016  251.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0711  189.1019  252.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8326  188.6061  252.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3356  188.9076  250.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4511  188.7676  253.9204 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0484  190.4872  252.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0048  189.7989  252.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1228  187.3865  246.4597 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9617  186.0685  246.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2937  185.2737  246.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6847  185.7233  244.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5351  184.2871  255.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.9578  187.9557  254.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 35  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
179.43498204,168.04068157,-56.96907756,-174.22550445,63.58661997,54.13463372
120.82882805,-7.21758796,154.85021397,-74.59143082,76.18203639,59.48232766
64.74479484,-144.81162145,-157.48628121,5.41052314,220.28159448,186.75259626
250.93260201,0.24701600,1.50050280,-3.08383522

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442615/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3534

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.587879

>  <SCORE.INTRA>
-9.04658

>  <SCORE.INTRA.DIHEDRAL>
0.423018

>  <SCORE.INTRA.DIHEDRAL.0>
12.5273

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.85808

>  <SCORE.INTRA.VDW.0>
2.2418

>  <SCORE.INTRA.norm>
-0.274139

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.31374

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001525

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  189.7063  220.5261  251.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3429  220.4902  250.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0815  219.3725  250.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2547  219.6075  249.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1339  218.5591  249.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8276  217.2484  249.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6073  217.0150  250.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7476  218.0684  250.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6548  216.1078  249.5681 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0367  216.1221  249.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7419  217.1027  249.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7392  214.8234  249.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1407  214.8572  249.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8992  213.7475  248.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2620  212.5505  248.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8693  212.4649  248.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1008  213.6049  248.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9900  211.4049  248.0758 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4797  211.4181  246.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7012  212.2533  246.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9643  211.6361  246.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1369  212.3849  246.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0669  213.7637  246.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8275  214.3754  245.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6605  213.6144  245.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0651  210.6932  249.2003 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.5297  209.4270  248.6739 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0107  211.7114  249.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0255  210.3527  250.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2084  218.7589  248.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9881  218.4513  247.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2115  215.2207  249.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-142.63217170,-94.31115319,30.49196360,-178.88192401,-74.47079008,76.05960091
169.36123437,92.09344623,196.28906905,214.75019240,248.78143262,2.63452464
0.59176029,-0.46214937

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442616/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.406

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-1.99401

>  <SCORE.INTRA.DIHEDRAL>
4.56736

>  <SCORE.INTRA.DIHEDRAL.0>
5.66873

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.27768

>  <SCORE.INTRA.VDW.0>
1.73813

>  <SCORE.INTRA.norm>
-0.0643228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.367935

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001317

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  212.7355  178.9383  243.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3942  180.3945  243.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1625  181.3676  244.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8241  182.8520  244.2248 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4936  183.7840  245.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1554  183.3378  242.7853 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.8359  182.8852  242.2010 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.3535  182.1919  240.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0812  182.8696  240.1007 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.9366  182.8136  241.5250 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.3328  184.2932  239.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1427  184.9134  239.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5135  184.9862  239.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  1  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
179.24489603,173.93438168,-47.82438605,179.00256757,61.46566816,213.15128443
182.62112687,242.18616910,1.49654411,1.23179154,2.22476479

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442617/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.03273

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.36727

>  <SCORE.INTRA.DIHEDRAL>
0.0857821

>  <SCORE.INTRA.DIHEDRAL.0>
0.663951

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.41016

>  <SCORE.INTRA.VDW.0>
-0.245706

>  <SCORE.INTRA.norm>
-0.113939

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.669394

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009351

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  221.9328  186.6489  244.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1193  185.1900  245.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0609  185.1162  246.3376 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3645  183.8619  246.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9234  182.8249  246.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3300  183.8851  247.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7792  185.0557  248.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9049  184.7722  249.7392 S   0  0  0  0  0  0  0  0  0  0  0  0
  225.8136  183.1241  249.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9719  182.7670  248.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9592  181.2943  248.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6687  180.7798  249.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4817  181.9797  250.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3373  186.3496  248.2388 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.0837  187.4672  248.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0228  188.0400  249.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1493  187.8811  247.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5832  186.7751  247.5925 S   0  0  0  0  0  0  0  0  0  0  0  0
  227.0723  185.4404  246.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1937  185.5538  245.6121 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.9213  184.2915  245.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9876  183.9910  244.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7843  182.6582  243.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5133  181.6294  244.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4680  181.9017  245.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6492  183.2369  245.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6965  183.8675  246.8533 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.6798  186.4707  247.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-178.65390756,2.40962315,6.11613503,-160.72758892,-89.83798016,-74.51760864
82.99983603,27.29927089,225.37839165,184.45792141,247.18827582,1.96831552
1.02012663,-2.84800565

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442626/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.99263

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-11.4074

>  <SCORE.INTRA.DIHEDRAL>
-1.97086

>  <SCORE.INTRA.DIHEDRAL.0>
6.01108

>  <SCORE.INTRA.POLAR>
-0.514933

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.67117

>  <SCORE.INTRA.VDW.0>
-1.10203

>  <SCORE.INTRA.norm>
-0.422495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0738011

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  203.6726  195.1607  246.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2529  195.1730  246.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2123  195.5646  245.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3250  195.9780  244.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6960  195.6497  243.9150 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8556  195.9445  244.9041 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.9513  197.4457  245.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4033  197.9556  246.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6802  198.1762  244.2790 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0918  198.3019  244.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6198  199.1528  245.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9978  199.3036  245.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8650  198.6278  244.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3564  197.7778  243.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9693  197.5734  243.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4214  196.6770  242.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1956  195.9204  241.9084 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0702  196.8073  242.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3174  196.0306  241.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0319  196.4844  240.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2174  195.7653  240.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6894  194.5854  239.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9674  194.1281  239.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7736  194.8442  240.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7494  193.6532  238.4062 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.6393  196.3901  239.7716 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.7500  194.2048  243.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5594  193.3706  243.7941 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8483  193.9186  242.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1935  199.0129  243.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5711  197.5668  242.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8900  193.0103  242.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  1  0  0  0
  6  7  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <CHROM.1>
-121.80530031,-28.62989984,-85.92276315,-74.66519593,-170.19547778,-168.50628936
177.75333077,203.88115941,196.07893751,242.78325344,0.85212136,0.43051048
1.35634009

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442627/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.88275

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.224733

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.168371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  211.0705  186.6395  247.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5705  187.6044  247.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6792  187.9749  248.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1041  187.8084  250.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2255  188.0429  251.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9105  188.4683  251.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5396  188.7858  249.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4176  188.5151  248.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9354  188.3336  252.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
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  207.0820  185.8723  248.2982 N   0  0  0  0  0  0  0  0  0  0  0  0
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  205.7690  186.3172  256.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5514  186.9040  254.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7812  190.7819  253.2240 S   0  0  0  0  0  0  0  0  0  0  0  0
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  209.7680  191.1924  253.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4000  190.9799  253.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
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 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
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M  END
>  <CHROM.1>
123.91569015,6.63614818,83.86549934,-55.59564143,-51.00391900,-91.67637230
111.93536753,-45.77118573,99.08447222,207.92342193,188.42188570,251.89622448
0.86640173,-0.81491786,-2.37503014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442628/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
1.93963

>  <SCORE.INTRA.DIHEDRAL.0>
10.1716

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.73333

>  <SCORE.INTRA.VDW.0>
-4.01876

>  <SCORE.INTRA.norm>
-0.0891457

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.37537

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  205.1713  206.7927  246.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2149  208.2594  246.6250 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5408  208.8054  245.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7201  210.3136  245.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1854  210.7568  245.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7896  210.2133  246.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6052  208.7059  246.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0018  210.4202  244.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6354  211.3049  243.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2492  210.6056  242.2412 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0353  209.2620  242.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2637  209.1039  243.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9188  207.7892  243.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3535  206.7149  243.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1100  206.9078  242.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4715  208.1935  241.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0481  205.4244  243.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7794  211.0153  241.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5177  205.4355  244.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
118.34202080,0.20508156,206.74902723,208.74874065,244.30903609,2.93042791
0.98972696,0.10529117

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442629/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.52545

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-0.874552

>  <SCORE.INTRA.DIHEDRAL>
-2.045

>  <SCORE.INTRA.DIHEDRAL.0>
2.07981

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.14795

>  <SCORE.INTRA.VDW.0>
-0.500361

>  <SCORE.INTRA.norm>
-0.0514442

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.325026

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000370

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  213.0281  189.9033  247.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7286  188.7772  247.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1912  188.5335  246.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8689  187.5768  245.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7546  189.5281  245.4916 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0189  190.3934  246.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4366  191.4846  245.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6378  192.4432  246.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4144  192.3598  247.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1631  193.4524  245.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6254  194.1238  246.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-0.02645359,179.98907393,212.89659421,190.49562604,246.51835112,0.25698569
-0.97482045,1.91317611

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442630/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87359

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.526406

>  <SCORE.INTRA.DIHEDRAL>
-1.24251e-05

>  <SCORE.INTRA.DIHEDRAL.0>
3.09157e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.5264

>  <SCORE.INTRA.VDW.0>
0.244555

>  <SCORE.INTRA.norm>
-0.0526406

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.587359

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034863

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  184.5643  211.5514  266.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0394  210.5430  267.2330 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.8503  209.5420  266.4073 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.0448  209.3763  265.1087 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.3699  210.7455  264.8701 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.7720  211.4766  263.6816 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9227  211.9963  262.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6789  212.4176  261.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0348  212.1824  261.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0491  211.6445  263.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2051  211.3384  263.8430 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3582  211.6038  263.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4487  212.0840  261.9499 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2884  212.4152  261.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2979  212.8643  260.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4761  211.2740  263.8475 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8580  208.9089  264.0438 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1429  210.0563  266.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8742  209.8866  267.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3685  208.9858  268.9579 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2863  211.3070  264.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.3588  210.4699  264.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2542  211.1248  263.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.5944  209.5517  263.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.6723  209.3621  265.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.6082  208.5869  269.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  6  0  0  0
  3  4  1  0  0  0  0
  3 18  1  6  0  0  0
  4  5  1  0  0  0  0
  4 17  1  6  0  0  0
  5  1  1  1  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <CHROM.1>
-178.83021324,173.19937185,-56.07286240,-108.46461449,33.02999855,179.73673257
186.01670647,210.97927351,264.29355215,1.95263909,-0.09579209,2.02328435

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442631/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.30402

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-10.704

>  <SCORE.INTRA.DIHEDRAL>
-9.66911

>  <SCORE.INTRA.DIHEDRAL.0>
12.6273

>  <SCORE.INTRA.POLAR>
-1.4064

>  <SCORE.INTRA.POLAR.0>
-0.292679

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08772

>  <SCORE.INTRA.VDW.0>
-0.84071

>  <SCORE.INTRA.norm>
-0.535201

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
-0.115201

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  228.4559  176.4691  243.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8153  176.6211  244.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2274  177.7673  245.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4330  178.5603  244.7457 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.6448  177.8183  246.4989 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.9216  175.4695  242.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6379  175.2247  240.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5983  175.9376  240.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9073  176.8301  240.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.4621  175.5143  238.8613 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.3179  174.2120  240.2870 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.2803  178.5447  247.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
  228.0735  174.7875  238.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
  230.3223  174.3431  240.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
  229.0590  173.2875  240.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.75421744,0.90851282,-179.23396396,-0.22518144,-61.48195348,-0.36788160
228.20043858,176.41948711,242.46470707,-1.52161977,0.78708036,-2.02363418

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442632/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.19115

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-8.20885

>  <SCORE.INTRA.DIHEDRAL>
-12.6131

>  <SCORE.INTRA.DIHEDRAL.0>
13.1107

>  <SCORE.INTRA.POLAR>
-0.263578

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.00614

>  <SCORE.INTRA.VDW.0>
0.503031

>  <SCORE.INTRA.norm>
-0.746259

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.108287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.053362

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  199.6402  215.1556  254.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7274  213.9148  255.3984 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8377  212.7234  254.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3776  213.0056  255.3005 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.1847  213.0860  256.8414 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.6837  213.2993  257.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7199  213.0496  255.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4114  213.4201  254.4745 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2731  212.1550  254.4674 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.6134  211.4636  254.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8038  212.5401  253.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0558  213.2417  252.8502 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4691  214.2976  251.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5493  214.8962  251.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6591  214.4529  250.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5950  212.0407  252.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8067  211.6897  251.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8215  212.3043  251.6860 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6798  210.3974  250.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4715  214.9605  254.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1696  214.1216  257.5762 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.5403  214.2724  256.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6623  214.6059  257.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7167  214.6999  259.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7971  214.8981  259.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4347  214.5365  259.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4720  213.6121  259.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5095  215.5220  257.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 22  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  1  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 21 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  1  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
38.89010674,-71.67153721,1.40587489,197.26774706,213.51709923,254.98873927
-0.99895327,-0.15242791,-1.74319618

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442633/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.60902

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-1.79098

>  <SCORE.INTRA.DIHEDRAL>
1.78633

>  <SCORE.INTRA.DIHEDRAL.0>
1.70575

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.68415

>  <SCORE.INTRA.VDW.0>
-0.0756144

>  <SCORE.INTRA.norm>
-0.0639637

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.236036

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  223.1897  182.9748  263.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3372  182.8041  262.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4124  183.6672  261.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3321  184.7289  261.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2045  184.8578  262.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1297  183.9962  263.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3805  185.6900  259.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6661  184.9033  258.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2433  185.5775  257.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2482  186.6947  256.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6921  186.1139  256.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6192  186.6151  257.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9257  186.1197  257.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3479  185.1129  257.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4498  184.5713  256.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1327  185.0466  256.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8430  187.4088  255.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7382  187.4839  254.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3563  188.0346  253.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0829  188.5711  253.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2143  188.6033  254.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6071  188.0574  255.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1529  187.7448  257.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1120  186.5500  259.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1529  187.9369  260.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9935  188.7179  259.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7695  188.1312  259.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7046  186.7645  259.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8625  185.9835  259.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5313  186.5435  260.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7591  188.4535  257.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.5032  187.1795  259.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 31  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <CHROM.1>
-58.46140382,158.07546090,111.45009102,-175.96554194,77.81704989,49.07232707
-113.32758112,-125.63311900,-179.36116015,223.72641827,186.21783504,258.31702569
-1.83924723,0.40390001,-1.08588498

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442642/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.32497

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-3.07503

>  <SCORE.INTRA.DIHEDRAL>
2.61283

>  <SCORE.INTRA.DIHEDRAL.0>
3.77826

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.981442

>  <SCORE.INTRA.VDW.0>
-1.65512

>  <SCORE.INTRA.norm>
-0.102501

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.310832

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001416

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  195.3538  216.6645  251.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9670  217.2048  251.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2404  216.8332  252.4587 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8309  215.8745  252.5379 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2230  214.4569  252.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8309  213.4660  252.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9516  214.3942  252.9776 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3114  215.7748  252.5033 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5527  215.2792  253.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6117  215.2959  253.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6956  216.7168  252.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  1  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <CHROM.1>
-12.80869393,79.56395518,99.53552430,176.26118757,5.66067420,195.08233418
215.55649279,252.28417013,-2.34647136,-0.07292649,2.89765029

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442643/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.93739

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-1.46261

>  <SCORE.INTRA.DIHEDRAL>
0.338544

>  <SCORE.INTRA.DIHEDRAL.0>
3.65639

>  <SCORE.INTRA.POLAR>
-0.430638

>  <SCORE.INTRA.POLAR.0>
-0.420575

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.16771

>  <SCORE.INTRA.VDW.0>
0.289364

>  <SCORE.INTRA.norm>
-0.182826

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.992174

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.505657

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  190.9388  224.8288  275.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4956  225.7956  274.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4426  227.1212  274.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1342  227.7357  273.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0337  228.9399  273.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9869  226.6864  272.3606 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1557  225.4458  273.0371 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8603  224.3984  272.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7187  226.8027  270.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0963  225.7652  270.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8191  225.9062  268.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1998  227.0689  268.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8355  228.1016  268.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0672  227.9786  270.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8520  227.2491  266.4069 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-155.16412995,189.66226492,226.79107348,270.28214114,-0.04932679,1.35940062
-2.94662573

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442644/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.48788

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.912119

>  <SCORE.INTRA.DIHEDRAL>
-4.14546

>  <SCORE.INTRA.DIHEDRAL.0>
6.3785

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.16061

>  <SCORE.INTRA.VDW.0>
-0.786665

>  <SCORE.INTRA.norm>
-0.060808

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.365859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000764

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  211.1681  192.0959  238.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6571  191.8107  238.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8718  190.3922  238.6908 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1595  189.9414  238.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1463  190.6583  238.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2201  188.4748  238.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1726  187.6676  238.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6246  186.0217  238.2434 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.1648  186.3095  238.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3650  187.6699  239.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6392  188.1822  239.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1447  185.2498  239.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3007  185.4384  239.4649 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6594  184.0202  238.7712 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6011  182.9485  238.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9145  181.6628  238.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9152  188.0379  237.7534 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9180  187.1669  237.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9454  185.9399  237.4599 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6631  187.8030  236.6607 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7488  188.6523  237.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1803  189.1700  238.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3119  189.9086  239.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9921  190.1192  239.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5323  189.5795  237.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3990  188.8437  237.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9193  188.3583  235.3611 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6708  189.4788  235.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2172  190.0249  236.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7627  189.9727  233.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7009  189.0397  237.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  1  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-178.80400096,5.46177656,18.75404535,-179.96817456,173.57950656,178.87313687
-179.89439233,-67.61896172,18.06275630,-70.06215544,4.24768841,212.42046007
187.95556266,238.04454230,-2.57618922,0.28436540,-3.03160053

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442645/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.96535

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.546667

>  <SCORE.INTRA>
-9.43465

>  <SCORE.INTRA.DIHEDRAL>
-12.2315

>  <SCORE.INTRA.DIHEDRAL.0>
16.9576

>  <SCORE.INTRA.POLAR>
-0.526842

>  <SCORE.INTRA.POLAR.0>
-0.386786

>  <SCORE.INTRA.REPUL>
0.000294436

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.52911

>  <SCORE.INTRA.VDW.0>
-0.930456

>  <SCORE.INTRA.norm>
-0.314488

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.232178

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006360

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 50  0  0  0  0  0  0  0  0999 V2000
  205.6276  198.4892  249.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0434  198.4073  250.6822 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3290  197.0501  251.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5438  196.1065  251.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6838  196.8914  251.9266 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1364  198.1334  252.6615 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.8456  199.4343  251.9098 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4659  199.4708  251.5342 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1183  200.5370  252.7604 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9181  202.0000  252.1208 P   0  0  1  0  0  0  0  0  0  0  0  0
  207.5926  202.1738  250.8028 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3206  202.0624  252.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2973  203.0179  253.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7168  202.9209  254.7559 P   0  0  1  0  0  0  0  0  0  0  0  0
  205.2295  202.8804  254.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3419  201.5515  255.3116 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4692  204.0359  255.6502 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8911  205.2169  254.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7534  206.1553  254.5321 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1373  207.4717  253.8453 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.8264  207.8785  253.1627 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.2344  206.5171  252.7962 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7899  205.5016  253.6689 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8100  206.3614  252.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9741  207.1765  251.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7000  206.9030  252.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7027  205.8968  253.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9936  205.5608  253.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2907  204.6597  254.2994 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2312  204.0846  254.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9706  204.3183  254.7452 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5984  205.2518  253.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4161  205.5130  253.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6247  203.2019  255.9142 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0248  208.6515  254.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1847  207.3570  252.8876 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5335  198.1292  253.9675 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6236  195.8028  252.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9391  201.2280  251.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3018  200.8566  254.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2151  204.2842  254.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5649  202.8328  255.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5568  203.6178  256.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2025  208.9274  253.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.3793  208.2323  252.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7316  197.2731  254.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3941  194.9988  252.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  1  0  0  0
  6  7  1  0  0  0  0
  6 37  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  6  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  1  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  6  0  0  0
 21 22  1  0  0  0  0
 21 35  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
 24 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 41  1  0  0  0  0
 30 31  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 42  1  0  0  0  0
 34 43  1  0  0  0  0
 35 44  1  0  0  0  0
 36 45  1  0  0  0  0
 37 46  1  0  0  0  0
 38 47  1  0  0  0  0
M  END
>  <CHROM.1>
60.87508288,52.75072413,177.93524558,-49.71548262,-43.63378161,-49.35429774
-54.10031169,-42.38924235,30.55380117,70.04948211,177.97824598,-179.55029780
178.80816319,45.75779543,-22.02309451,205.30494632,202.87069491,253.16742021
1.31786718,0.07905211,-2.92493707

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442646/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.97351

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.378947

>  <SCORE.INTRA>
-17.3735

>  <SCORE.INTRA.DIHEDRAL>
-12.6739

>  <SCORE.INTRA.DIHEDRAL.0>
19.7665

>  <SCORE.INTRA.POLAR>
-3.52036

>  <SCORE.INTRA.POLAR.0>
-0.469643

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.932646

>  <SCORE.INTRA.VDW.0>
-7.73954

>  <SCORE.INTRA.norm>
-0.457198

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
-0.0782503

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004434

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  194.8819  226.3175  240.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3713  225.2127  240.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7607  224.9771  238.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1163  223.9790  238.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2280  223.0828  238.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5719  222.1287  237.7772 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8169  223.3916  239.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4251  224.4386  240.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9744  224.6594  241.5993 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9075  222.5646  240.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5521  223.6880  236.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9959  224.7604  236.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
29.21263021,195.80632999,224.09105176,239.06059038,0.90348297,-0.77195450
0.96135885

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442647/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34056

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0594372

>  <SCORE.INTRA.DIHEDRAL>
1.13016

>  <SCORE.INTRA.DIHEDRAL.0>
5.14977e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.624518

>  <SCORE.INTRA.VDW.0>
1.90023

>  <SCORE.INTRA.norm>
-0.0049531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.52838

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.059286

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  166.8928  222.2155  253.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.8116  223.0588  252.2731 O   0  0  0  0  0  0  0  0  0  0  0  0
  167.6899  224.1064  252.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.1798  225.2695  251.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.9736  226.4202  251.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.4731  227.5898  250.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.2843  228.7156  250.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.6029  228.6885  251.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.1124  227.5387  251.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.3103  226.3971  251.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.8074  225.2316  252.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.0044  224.0948  252.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-144.67565355,168.29819645,225.68320132,251.92530351,1.90075081,0.29182710
2.74360288

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442648/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25234

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.147662

>  <SCORE.INTRA.DIHEDRAL>
1.61537

>  <SCORE.INTRA.DIHEDRAL.0>
3.17267e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.95535

>  <SCORE.INTRA.VDW.0>
2.20003

>  <SCORE.INTRA.norm>
-0.0123052

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.521028

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.065129

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  189.5292  211.0802  261.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6675  211.6192  260.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9321  211.3610  259.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0771  212.3134  259.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5830  212.3759  258.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4041  212.9995  260.3415 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5924  212.5080  261.3901 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2985  213.4355  262.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5166  213.8475  260.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0535  214.6336  259.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1967  215.4161  259.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8401  215.4069  260.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3203  214.6258  262.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1540  213.8678  261.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3915  210.5067  258.5225 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4979  209.4465  258.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0872  209.0934  259.7986 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0377  208.6337  257.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8201  208.3916  256.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1881  208.7685  256.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0360  208.7428  255.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3234  209.1425  255.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2177  209.4056  256.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9259  209.1981  257.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1553  209.9030  258.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9684  209.7832  259.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8834  210.3501  260.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0092  211.0156  259.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2442  211.1082  258.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3245  210.5580  257.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1174  211.7213  260.9435 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.6625  208.8975  260.1208 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.6020  208.1347  257.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4110  207.7208  257.4429 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7770  210.6873  257.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <CHROM.1>
-12.35448664,32.71661192,33.23616046,-170.09537530,-162.65676863,192.62041781
211.00117749,259.26863526,2.40019764,-0.17002443,-2.36453385

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442649/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.307275

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.305882

>  <SCORE.INTRA>
-10.0927

>  <SCORE.INTRA.DIHEDRAL>
-12.9809

>  <SCORE.INTRA.DIHEDRAL.0>
23.1259

>  <SCORE.INTRA.POLAR>
-0.0187245

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.53863

>  <SCORE.INTRA.VDW.0>
-1.26814

>  <SCORE.INTRA.norm>
-0.296845

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.00903751

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000269

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  222.9078  196.2741  242.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0342  195.0961  242.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6858  195.1590  242.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1966  193.8490  242.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2739  192.9897  242.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3934  193.7577  242.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7279  193.2129  242.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9864  192.8659  244.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8595  194.0265  245.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0986  193.6846  246.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3146  191.4995  242.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8364  193.4717  241.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9474  194.4030  241.6297 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6283  194.0375  241.3769 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0559  192.9419  242.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6466  192.1648  242.7875 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6031  192.7199  241.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8560  193.5874  241.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4639  193.3589  240.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8908  192.2508  241.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6412  191.3892  242.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9996  191.6267  242.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4684  191.9586  241.4126 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.6797  192.8308  241.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1562  190.8393  240.9853 O   0  5  0  0  0  0  0  0  0  0  0  0
  211.7578  194.2382  239.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3898  195.3067  239.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7438  195.5322  239.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4723  194.6844  240.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9106  194.9754  240.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3830  195.9888  240.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  2  23   1  25  -1
M  END
>  <CHROM.1>
-0.64730943,91.94200698,-59.98855685,179.75531306,41.25313005,217.07360610
193.55634892,241.96235938,-0.06326720,-0.23847724,-0.60415815

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442650/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.64516

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-0.754836

>  <SCORE.INTRA.DIHEDRAL>
-0.013837

>  <SCORE.INTRA.DIHEDRAL.0>
4.55014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.747918

>  <SCORE.INTRA.VDW.0>
-0.368212

>  <SCORE.INTRA.norm>
-0.0243496

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.311134

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000629

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  187.6111  215.0091  261.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0811  213.6089  262.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1893  212.4974  261.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6215  211.0459  261.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0500  210.6460  261.2896 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.9764  210.6569  259.7099 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3278  210.4203  259.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9245  209.1039  259.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0989  209.1302  261.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7573  209.2807  261.8656 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.8272  208.0373  261.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4578  206.7058  261.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7927  206.7420  263.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7100  207.9368  263.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1218  209.2720  263.3821 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.1521  210.2943  263.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9841  209.5247  264.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0587  209.7269  259.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6578  209.5600  257.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0923  210.2691  257.0427 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6813  208.4799  257.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CHROM.1>
179.86519015,-61.93122815,-64.78291888,173.45307823,-0.73985176,189.04168680
209.91764169,261.11118519,2.94018778,1.12887991,-2.32226765

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442652/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.65946

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-3.74054

>  <SCORE.INTRA.DIHEDRAL>
-7.00799

>  <SCORE.INTRA.DIHEDRAL.0>
7.65762

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.236546

>  <SCORE.INTRA.VDW.0>
-1.19891

>  <SCORE.INTRA.norm>
-0.178121

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.317117

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.054967

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  188.5187  208.3942  260.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0667  207.9128  260.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8213  206.8679  258.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5628  207.4227  261.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5470  208.4368  262.5527 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5866  209.5344  262.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4608  210.8342  263.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6293  211.8193  263.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2531  211.6000  262.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4328  207.7461  263.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6724  208.6111  265.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8259  208.9396  265.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5519  209.0892  265.7389 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.6783  209.9545  266.8473 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.6356  208.9251  265.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.7479  210.3749  267.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.2572  210.7503  266.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
61.98726071,65.99994240,-172.08249009,168.61125665,59.78766748,-77.07636386
165.03391226,186.39857222,209.10923626,263.00975636,-1.12780077,-1.06918325
1.56789340

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442653/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.354

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-1.04604

>  <SCORE.INTRA.DIHEDRAL>
0.147086

>  <SCORE.INTRA.DIHEDRAL.0>
2.13924

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.11958

>  <SCORE.INTRA.VDW.0>
-1.78649

>  <SCORE.INTRA.norm>
-0.0747173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.810997

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001731

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  195.9633  217.4976  251.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5346  218.4469  250.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3513  219.5249  250.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9450  220.4268  249.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7151  220.2675  248.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9091  219.1758  248.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3179  218.2738  249.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3285  221.2781  247.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1104  222.1958  247.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9767  221.1505  246.6206 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9987  219.9808  245.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9272  220.8946  247.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7207  221.8776  248.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3044  222.9512  248.5251 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6633  221.4764  249.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3430  222.3403  250.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3329  222.0948  251.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5526  220.9313  251.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6821  220.8125  252.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5855  221.8113  253.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3576  222.9622  253.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2228  223.1014  252.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1828  223.8544  254.5457 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4752  225.2183  254.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4986  219.8174  250.7773 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8521  219.8473  249.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
1.06183227,-72.27438785,63.04836167,2.46999000,179.31926911,-0.25632582,-74.68972347
-155.06291630,191.61920735,221.11009379,250.10774171,-0.48281884,-0.49823312
1.78231386

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442654/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.8613

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-9.5387

>  <SCORE.INTRA.DIHEDRAL>
-15.0246

>  <SCORE.INTRA.DIHEDRAL.0>
21.4118

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.02639

>  <SCORE.INTRA.VDW.0>
2.47871

>  <SCORE.INTRA.norm>
-0.366873

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.148512

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006334

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  190.4939  209.4768  247.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9022  210.4458  248.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4262  210.1770  250.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8248  211.1734  251.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3217  210.9417  252.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7245  211.9385  253.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2222  211.7115  255.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6259  212.6934  256.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3832  213.5350  256.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7678  214.5079  257.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4544  215.2771  258.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
179.47468798,179.98312269,179.94900810,-179.87337958,-179.88131001,-119.99404707
179.92986131,190.11478775,211.98340192,253.56244060,-1.13244405,1.54652050
0.67345217

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442655/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.8216

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.12727

>  <SCORE.INTRA>
-0.578401

>  <SCORE.INTRA.DIHEDRAL>
-0.064034

>  <SCORE.INTRA.DIHEDRAL.0>
0.0653398

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.546384

>  <SCORE.INTRA.VDW.0>
-0.416383

>  <SCORE.INTRA.norm>
-0.0525819

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
1.07469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044658

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  201.6594  207.6546  246.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4562  207.8446  245.7336 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9006  209.0421  245.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6879  208.7978  244.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7181  207.4498  243.9747 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9494  206.8858  244.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4807  205.2249  244.9029 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.9615  205.2575  243.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9510  206.2776  244.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0440  206.0050  245.2043 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0659  207.6889  243.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3274  208.6871  244.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4047  210.0186  244.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2240  210.3637  243.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9628  209.3810  242.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8840  208.0468  242.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6825  210.3655  245.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2972  211.4949  245.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1738  212.5044  246.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1877  212.0712  247.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9165  210.7392  246.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6443  212.9321  248.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2662  214.1882  248.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3595  214.5674  247.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7953  213.7494  246.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5406  212.7636  248.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6933  211.6667  248.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
173.20200202,83.89093872,-53.48054152,-93.68288564,-167.20970316,-10.69096221
201.68243612,209.44498385,245.53875148,1.69071040,-0.22210599,-2.66862762

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442656/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.93239

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.46761

>  <SCORE.INTRA.DIHEDRAL>
1.29018

>  <SCORE.INTRA.DIHEDRAL.0>
4.98568

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.1127

>  <SCORE.INTRA.VDW.0>
-0.410333

>  <SCORE.INTRA.norm>
-0.12843

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.293792

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 53 52  0  0  0  0  0  0  0  0999 V2000
  196.3382  217.7289  261.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3728  218.7944  260.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7537  219.4647  260.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0746  218.2144  258.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6295  217.7221  258.3677 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.5142  218.7857  258.5641 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2598  219.8150  257.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9947  219.2435  256.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8938  218.9882  255.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1292  218.9687  255.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2769  218.1426  258.8958 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5476  217.0796  257.0545 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9295  215.8681  256.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2367  215.3149  257.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2159  215.2152  255.4854 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9739  213.9175  255.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9367  214.9268  254.8278 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2963  215.8485  254.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7383  216.9761  253.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9634  215.3885  253.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9410  215.0498  254.5195 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4614  216.2472  255.4220 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.0584  216.0227  256.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6474  214.7646  257.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3863  214.5771  258.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1371  214.8297  257.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8204  217.5734  254.8833 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1344  218.1502  253.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1539  217.6091  253.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6529  219.5429  253.3422 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4650  220.5985  254.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0288  221.9771  254.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9779  220.7434  254.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0619  219.4269  252.9591 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5850  220.1225  251.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9241  220.9517  251.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0806  219.8265  251.5840 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.9749  220.3640  252.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4653  220.1276  252.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7485  221.8627  252.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2498  218.3800  251.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1924  217.7735  250.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0172  218.3942  249.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4201  216.2830  250.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7922  214.4642  253.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9895  218.5253  254.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0746  217.5293  258.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9546  217.5539  256.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4302  214.1261  255.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.4301  218.1791  255.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6820  218.8476  253.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1594  217.8050  252.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0673  213.6317  253.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  6  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  1  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  2  0  0  0  0
 30 28  1  1  0  0  0
 30 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 51  1  0  0  0  0
 35 36  2  0  0  0  0
 37 35  1  1  0  0  0
 37 38  1  0  0  0  0
 37 41  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 41 42  1  0  0  0  0
 41 52  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 45 53  1  0  0  0  0
M  END
>  <CHROM.1>
68.70770517,58.33020370,78.46295208,133.36815906,54.43004725,-58.31217586
92.48189576,174.84872374,115.61395499,88.09648110,60.83710001,65.07798859
-109.93817941,63.08628719,-62.15659784,76.38771847,174.70931794,-64.70960812
176.50586854,143.26171788,-67.72335058,-178.81194990,93.80267560,192.27162706
217.81548138,255.10913661,-1.03884367,-0.53203185,-1.03783832

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442657/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.75839

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.564444

>  <SCORE.INTRA>
-17.6416

>  <SCORE.INTRA.DIHEDRAL>
2.63118

>  <SCORE.INTRA.DIHEDRAL.0>
17.7655

>  <SCORE.INTRA.POLAR>
-3.03427

>  <SCORE.INTRA.POLAR.0>
-0.859778

>  <SCORE.INTRA.REPUL>
0.0199877

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.74064

>  <SCORE.INTRA.VDW.0>
-7.25898

>  <SCORE.INTRA.norm>
-0.392036

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
0.172409

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  224.1052  193.6273  246.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2765  192.8122  244.8268 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.8366  192.4667  244.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0461  193.6963  243.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8616  194.4773  242.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4494  194.7278  241.7062 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2311  194.9066  243.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9574  193.6250  243.6930 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.4319  193.8432  243.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0996  192.5131  243.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6070  191.4057  244.6467 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.0915  191.4728  245.0891 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.8970  190.9042  246.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7377  189.6485  246.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2446  189.9816  246.7314 C   0  0  2  0  0  0  0  0  0  0  0  0
  227.6115  191.1896  245.8109 C   0  0  1  0  0  0  0  0  0  0  0  0
  229.0423  190.8687  245.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.4915  189.5876  245.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1681  188.8476  246.1956 C   0  0  2  0  0  0  0  0  0  0  0  0
  227.7554  188.4230  244.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.2593  187.2836  244.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9875  186.4910  244.9377 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.6850  187.0529  242.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1627  187.0539  242.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5463  188.4533  243.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7664  189.3769  241.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6222  190.3749  242.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4358  189.5140  242.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0175  188.3800  243.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6097  190.3294  248.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  1  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-167.16640969,5.74072893,-54.83533528,75.80764554,66.49243675,225.83877709
190.76303396,244.40555095,-2.57256728,0.74909903,-2.59996823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442674/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87338

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-4.52662

>  <SCORE.INTRA.DIHEDRAL>
-3.11457

>  <SCORE.INTRA.DIHEDRAL.0>
6.46307

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.96934

>  <SCORE.INTRA.VDW.0>
-1.75906

>  <SCORE.INTRA.norm>
-0.150887

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.195779

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016370

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  203.4692  198.9957  246.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2653  199.7557  247.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3510  200.2172  248.9455 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8903  200.9103  249.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0760  201.1896  250.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8445  201.3551  250.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0365  202.2973  251.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2316  203.0568  252.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9828  203.8364  251.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2023  204.3006  251.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3598  203.8780  253.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0356  202.9421  253.5716 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.7347  204.1237  249.8190 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6579  203.7151  249.3542 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.6912  203.3247  248.8908 N   0  5  0  0  0  0  0  0  0  0  0  0
  201.2254  200.7254  250.7494 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.4936  200.8933  251.9997 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6158  201.2065  249.5215 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4687  198.9660  250.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2971  198.3201  251.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4979  196.9445  251.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8561  196.2178  250.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0036  196.8615  249.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8026  198.2399  249.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <CHROM.1>
179.42066180,2.04785303,-165.05688781,159.97603609,53.26356133,5.86680363
48.90701327,203.14504340,201.02041421,250.60493670,-2.74062112,0.98356643
1.45714214

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442675/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.182583

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-12.5826

>  <SCORE.INTRA.DIHEDRAL>
-24.1896

>  <SCORE.INTRA.DIHEDRAL.0>
35.0089

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.487772

>  <SCORE.INTRA.VDW.0>
-4.38581

>  <SCORE.INTRA.norm>
-0.524274

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.00760761

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000112

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  219.4430  185.8479  252.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9191  185.8474  250.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0260  185.4844  250.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8966  186.1905  249.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2287  186.1758  248.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0420  186.5029  247.5868 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.5097  186.5320  246.1336 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.9637  185.1180  245.7509 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.7508  184.1862  245.8363 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.1173  184.2630  247.2570 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.9261  185.6095  247.7225 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8165  183.6491  247.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2081  183.5261  248.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6930  183.8746  249.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8477  182.9151  248.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7831  184.6289  244.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8510  183.7212  244.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7844  182.5607  244.8380 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8689  184.3564  243.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5803  185.1063  244.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1520  183.8970  244.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1509  182.9140  244.8826 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7119  183.8831  242.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5230  187.4244  245.9998 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  1  0  0  0
  8  9  1  0  0  0  0
  8 20  1  6  0  0  0
  9 10  1  0  0  0  0
  9 16  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-177.88097677,177.28421141,177.14846969,172.03699329,159.51577809,173.57876076
-1.16058098,-2.40742661,0.36171177,217.92061097,184.77876812,246.89080694
1.26600055,0.37304472,1.37107835

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442676/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.94253

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-5.45747

>  <SCORE.INTRA.DIHEDRAL>
-13.3082

>  <SCORE.INTRA.DIHEDRAL.0>
16.0472

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00909788

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.15116

>  <SCORE.INTRA.VDW.0>
-1.5308

>  <SCORE.INTRA.norm>
-0.227394

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.372606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015577

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  200.2344  198.0180  259.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0945  199.4029  259.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9361  200.1596  259.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3002  200.1622  259.3303 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3307  201.5502  258.2982 P   0  0  1  0  0  0  0  0  0  0  0  0
  201.4428  202.4732  259.5217 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9133  201.1148  257.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0684  200.3652  256.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4978  199.9948  256.2205 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5815  199.1859  254.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4364  201.5163  255.9226 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.3613  202.9383  257.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6243  203.2045  256.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7245  202.4482  255.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2291  201.0674  255.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7994  200.2421  256.4115 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1832  200.8753  254.8722 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5415  199.5936  254.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9341  204.5633  255.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  1  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
165.32730003,120.47371917,96.65086253,-95.83043965,178.24555350,179.15763396
-2.14487191,-18.03151668,176.64888500,201.41377457,201.04856703,257.06314693
-2.91212336,-0.00170828,-1.06787390

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442677/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.757895

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.261892

>  <SCORE.INTRA.VDW.0>
-3.05322

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019281

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  220.8004  190.9707  239.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0123  189.6868  238.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8991  188.6933  238.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9407  188.5323  239.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5745  189.1564  241.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2993  188.4190  242.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9228  188.9797  243.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5719  188.2906  244.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2552  188.9234  245.8997 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2040  190.0063  245.9919 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.9857  188.7031  246.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2836  190.3568  244.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7090  191.6824  244.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8478  192.0691  243.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3027  193.3906  242.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7172  193.5347  241.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5569  190.6043  241.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7686  191.3694  240.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
176.15038538,54.38986942,-106.06212278,177.72397129,179.43472975,119.12608734
220.93281748,190.22519352,242.47903928,1.11395969,0.96782865,-1.14208398

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442678/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.59987

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-2.80013

>  <SCORE.INTRA.DIHEDRAL>
-1.63815

>  <SCORE.INTRA.DIHEDRAL.0>
6.30836

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.98105

>  <SCORE.INTRA.VDW.0>
-0.543603

>  <SCORE.INTRA.norm>
-0.155563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.477771

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.063639

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  200.4522  214.0124  243.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4309  214.1256  242.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6887  212.8441  241.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6812  212.8784  240.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5075  213.8735  239.6778 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9768  211.5496  239.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2698  210.4908  240.4319 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6483  209.3012  239.8131 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5700  209.0716  238.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2709  209.9959  237.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0457  211.6272  237.9694 P   0  0  1  0  0  0  0  0  0  0  0  0
  199.9178  212.3789  237.3088 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4781  212.3518  237.7048 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6718  211.8361  238.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8163  212.7283  237.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1079  209.4132  236.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6495  208.0150  236.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7274  207.7993  237.8837 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1224  208.3151  240.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6804  207.0976  240.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2170  206.1827  241.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1877  206.4683  242.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6150  207.6498  243.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0941  208.5661  242.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9542  205.2562  243.8170 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
179.91273002,1.52918255,-2.93807672,-173.36703911,54.66660339,179.70688068
202.11007989,209.55238952,240.38265760,2.72061015,1.25236314,-1.71752581

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442679/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.2619

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-3.1381

>  <SCORE.INTRA.DIHEDRAL>
-6.45021

>  <SCORE.INTRA.DIHEDRAL.0>
6.68785

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00161612

>  <SCORE.INTRA.REPUL.0>
0.0135257

>  <SCORE.INTRA.VDW>
0.0789298

>  <SCORE.INTRA.VDW.0>
-0.0596137

>  <SCORE.INTRA.norm>
-0.125524

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.330476

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006503

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  200.0229  209.4142  250.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2765  209.1957  251.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2914  208.3153  250.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9289  210.5709  251.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9289  208.6418  252.6794 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3215  207.3029  252.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5458  206.9508  253.9530 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3413  207.8636  254.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7319  209.2472  254.3913 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6663  210.0970  254.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7093  209.8271  255.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6090  210.6545  255.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4476  211.7716  254.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4071  212.0762  254.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5585  211.2786  253.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6185  211.6716  252.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4775  213.1123  252.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0462  213.4194  251.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1435  213.2438  253.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1863  213.9847  253.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1067  205.5883  253.8815 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2853  209.2943  253.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9103  205.0388  253.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
63.89144244,-160.34568821,62.47084408,-60.54042456,63.20390153,179.09385104
50.21123999,198.51675020,210.13212624,253.21696899,-0.53974598,0.65874391
-0.47051827

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442681/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.54651

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-3.85349

>  <SCORE.INTRA.DIHEDRAL>
1.2978

>  <SCORE.INTRA.DIHEDRAL.0>
2.32209

>  <SCORE.INTRA.POLAR>
-0.773296

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.87318

>  <SCORE.INTRA.VDW.0>
3.35121

>  <SCORE.INTRA.norm>
-0.183499

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.359358

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  210.5697  190.2075  252.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4112  189.9515  251.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6460  188.8646  250.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0380  188.0394  251.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1918  188.2927  252.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9583  189.3836  253.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1535  186.6027  251.0763 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.2606  186.1790  252.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7138  186.7974  249.7122 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6351  185.1994  250.9917 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
-160.87851874,209.05445231,187.40683909,251.45101893,-0.65075828,-1.08654640
-1.95722620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442682/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24576

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.154236

>  <SCORE.INTRA.DIHEDRAL>
-0.218461

>  <SCORE.INTRA.DIHEDRAL.0>
1.30363

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0450056

>  <SCORE.INTRA.VDW.0>
-0.706986

>  <SCORE.INTRA.norm>
-0.0154236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.624576

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010283

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  212.3764  197.2424  239.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2614  196.4787  238.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3827  196.0363  239.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3623  195.7100  241.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7126  196.3543  240.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6175  194.2204  241.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1565  193.1664  240.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3856  191.8308  240.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0830  191.5187  242.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5753  192.5444  242.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3509  193.8698  242.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8642  194.8336  243.3640 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.8323  196.4239  242.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4123  197.3225  243.0036 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6244  195.9139  242.7868 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1246  196.3282  244.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9849  195.9784  245.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5085  196.9758  246.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3156  196.6489  247.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6163  195.3199  247.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1152  194.3156  246.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3150  194.6392  245.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7907  193.3110  244.5748 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.2154  198.6574  245.8181 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
7.86174394,-115.41888043,169.99442756,-60.53315030,119.75895146,211.04438287
195.35645442,243.34028088,0.21784119,1.37077464,-0.56837391

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442683/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.04815

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-3.35185

>  <SCORE.INTRA.DIHEDRAL>
-2.74954

>  <SCORE.INTRA.DIHEDRAL.0>
5.14336

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.97708

>  <SCORE.INTRA.VDW.0>
-2.2797

>  <SCORE.INTRA.norm>
-0.139661

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.293673

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000276

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  214.5129  198.2525  236.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6038  198.9125  237.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0727  198.2695  238.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4270  196.9410  239.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3281  196.2900  238.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8811  196.9431  237.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7946  196.2281  240.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0476  194.9336  239.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9176  194.9777  239.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2235  193.8202  238.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6224  192.5909  239.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6917  192.5259  240.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3846  193.6874  240.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0235  196.1302  241.6121 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.5745  197.5953  242.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2941  197.4318  243.4250 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.8659  198.7408  244.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8812  199.4042  243.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7392  199.1233  245.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1829  197.0648  242.4677 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7407  195.8554  242.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5680  195.3539  241.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8266  196.2481  241.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6087  195.8695  240.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0996  194.6020  240.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8271  193.6793  241.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2675  192.4254  241.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9731  191.4762  242.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2681  191.7501  242.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8306  193.0003  242.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1104  194.0196  242.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2317  197.5260  240.7782 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4089  199.9702  245.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.0586  197.6886  241.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 31  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
122.09086054,-62.96960429,95.37191090,74.92979320,-173.02662103,111.13111140
111.87472801,179.14916850,-7.30599819,-4.09608588,211.24748790,195.77905625
241.00575526,-0.17287801,-0.74371857,-2.20845985

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442684/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.97423

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-5.42577

>  <SCORE.INTRA.DIHEDRAL>
-0.762398

>  <SCORE.INTRA.DIHEDRAL.0>
5.34009

>  <SCORE.INTRA.POLAR>
0.357596

>  <SCORE.INTRA.POLAR.0>
-1.27686

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.2604

>  <SCORE.INTRA.VDW.0>
-1.92956

>  <SCORE.INTRA.norm>
-0.169555

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.249195

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011274

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  207.7173  224.8379  254.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6609  223.7760  253.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0331  222.3961  254.5183 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.9759  222.3768  256.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9306  221.3342  256.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1028  221.1042  255.2297 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.1425  221.2045  254.1041 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4328  221.2640  252.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3588  220.4870  252.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9368  219.4429  253.6288 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.1419  219.8839  255.1154 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3798  218.6859  256.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5145  218.3508  256.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2300  217.8936  256.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8636  218.1248  256.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2043  216.9757  256.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1855  216.0765  257.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3928  216.6350  257.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5433  218.1165  253.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8433  216.9942  253.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3339  215.6655  253.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6612  214.5292  253.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1324  214.3668  253.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3607  213.9485  254.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4145  213.2234  253.8362 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.0217  212.3454  252.7035 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.2467  213.0055  252.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2692  213.3135  253.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6498  214.1511  254.2620 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4680  213.5180  254.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6379  214.3970  255.4252 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.8510  215.2540  255.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9145  215.0285  256.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8121  215.5517  256.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6066  214.9412  257.7643 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0359  211.8254  251.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2976  216.2002  257.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1547  215.3152  258.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  6  0  0  0
 11 12  1  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 22  1  6  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  1  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <CHROM.1>
69.16488016,-143.95195345,-34.35160859,-14.90222739,176.82985611,-118.91828006
-80.04398503,65.40414536,-16.00154260,-178.32832940,205.07525537,217.20584924
254.78117041,-1.43018000,-0.20159591,-3.03247033

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442685/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.82479

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-11.5752

>  <SCORE.INTRA.DIHEDRAL>
-5.0335

>  <SCORE.INTRA.DIHEDRAL.0>
11.1175

>  <SCORE.INTRA.POLAR>
-0.999686

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.65953

>  <SCORE.INTRA.VDW.0>
-0.323851

>  <SCORE.INTRA.norm>
-0.321534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.0784665

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002578

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  193.4503  213.1492  247.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3443  212.2967  248.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7733  212.7626  249.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2444  214.0757  249.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3117  214.9542  248.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9616  214.4491  247.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2855  215.2540  245.9488 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.7309  216.3080  248.8880 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2651  217.4765  248.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0461  218.5053  248.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8764  217.9208  249.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7105  216.6023  249.7857 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0020  219.8873  248.3947 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.2783  220.2122  247.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7038  220.6577  249.0576 O   0  5  0  0  0  0  0  0  0  0  0  0
  193.2063  217.5333  247.3938 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5995  214.5219  251.4623 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.7071  211.9290  250.6979 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.8059  210.9024  248.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7164  210.6924  249.0851 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.4062  210.5960  247.0296 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.7099  209.9547  248.6567 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.4684  216.8316  247.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3934  217.8203  246.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
-121.54037556,-142.64828763,23.76179895,194.07689061,214.87361130,248.65082097
2.35850927,1.22635997,2.34928821

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442686/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.71246

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.68754

>  <SCORE.INTRA.DIHEDRAL>
-0.671038

>  <SCORE.INTRA.DIHEDRAL.0>
6.51604

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.35202

>  <SCORE.INTRA.VDW.0>
-1.08457

>  <SCORE.INTRA.norm>
-0.0767063

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.305112

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000454

$$$$
rDock on collection 9274/Array of sdfs_000437.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  193.0431  207.6299  232.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7003  207.4014  233.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0842  206.4642  234.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0628  205.8610  234.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8406  206.2787  235.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1531  205.5363  235.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9462  205.3316  236.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2520  204.5897  236.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0594  204.3922  237.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2622  203.6964  237.3268 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1010  203.4429  238.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4676  203.4508  238.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3943  203.1955  239.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9570  202.8520  240.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5911  202.8326  240.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6694  203.1349  239.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9906  202.5363  241.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0832  202.7173  240.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7872  203.1158  239.1691 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7196  203.3554  238.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4207  204.2753  237.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3103  204.4711  236.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5118  203.7705  235.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8314  202.8791  237.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9382  202.6669  238.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3461  202.6298  240.9707 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6731  202.3106  242.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0118  202.3370  242.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3620  202.0260  244.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3794  201.6827  244.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0425  201.6617  244.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6963  201.9803  243.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1297  202.8822  240.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-0.27199246,-72.40403796,179.93713863,-179.85633143,179.41844101,-179.97992486
179.98004142,-147.27864829,1.05290480,30.59677472,-175.73587953,201.15537040
203.83610706,238.48620460,-2.55756039,-0.13932617,1.86222746

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442687/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.662628

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5125

>  <SCORE.INTRA>
-17.0626

>  <SCORE.INTRA.DIHEDRAL>
-35.6883

>  <SCORE.INTRA.DIHEDRAL.0>
42.1574

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.781533

>  <SCORE.INTRA.VDW.0>
1.29045

>  <SCORE.INTRA.norm>
-0.533207

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
-0.0207071

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001492

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  198.7020  211.6130  256.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1373  210.9067  257.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2788  210.2351  258.0392 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1156  209.3258  257.1062 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3703  208.1123  256.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7354  208.3852  255.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8603  209.5840  254.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6283  210.6988  255.2194 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.6606  210.1431  256.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8147  209.5784  259.2523 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5206  209.6733  260.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5626  210.2941  260.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0123  208.9639  259.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  1  0  0  0
  8  1  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-137.67747738,199.38718887,209.88994620,257.23837010,2.23177763,1.38021589
-2.26626436

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442689/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36874

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0312583

>  <SCORE.INTRA.DIHEDRAL>
0.0543503

>  <SCORE.INTRA.DIHEDRAL.0>
1.01589

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0584335

>  <SCORE.INTRA.VDW.0>
-0.677253

>  <SCORE.INTRA.norm>
-0.00260486

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.530728

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019737

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  190.7030  207.1491  242.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0337  206.4384  242.2360 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.9083  205.5941  242.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3884  205.9963  240.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1439  207.2517  242.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3647  206.4155  243.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1209  205.3569  244.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5966  205.9639  245.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4533  206.2759  246.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1421  206.9117  247.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2978  208.0301  248.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0794  208.6005  249.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7131  208.0809  250.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5745  206.9977  250.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7944  206.4161  249.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3871  206.3786  251.6916 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.4838  208.7905  246.6531 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.5270  207.3772  246.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1316  207.5232  246.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3131  206.4782  245.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8824  205.2785  245.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2685  205.1219  245.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1211  206.1641  245.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 23  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
161.70560428,-64.22748231,-57.92383932,-95.11427261,192.89677724,206.84856357
246.44514999,1.94485961,0.27860769,-1.76088517

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442690/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.70361

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-0.696386

>  <SCORE.INTRA.DIHEDRAL>
1.4027

>  <SCORE.INTRA.DIHEDRAL.0>
0.216555

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.39773

>  <SCORE.INTRA.VDW.0>
-0.646888

>  <SCORE.INTRA.norm>
-0.0316539

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.395619

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003321

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  186.0108  218.3022  263.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2569  218.0156  264.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3299  218.8873  264.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1854  220.0684  263.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9094  220.3457  262.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8350  219.4670  262.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3405  220.9510  263.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5295  220.6103  263.5622 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5191  221.4645  263.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3657  222.5635  262.5870 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1508  222.8271  262.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1043  222.0559  262.3587 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9496  223.9751  261.3812 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0700  224.8410  261.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7156  224.4278  259.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1743  222.9788  259.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5548  221.7766  259.7152 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5879  224.3625  260.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1777  223.8147  259.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2214  222.2953  259.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2577  221.0349  259.6099 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7704  221.1943  263.8444 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8356  222.2112  263.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3476  222.4320  262.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9004  221.1559  261.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3590  220.0972  261.2131 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0116  219.8963  264.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4307  218.8160  263.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4171  218.6723  262.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6093  218.5601  261.5990 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
M  END
>  <CHROM.1>
0.21246085,-170.85266705,5.30753200,88.65681851,-91.77554047,-56.13067125
60.19522373,-70.03913538,86.49559657,-58.89993262,-56.79702775,190.59847666
221.29731162,262.13984360,-2.83083283,-0.04302058,-0.61384314

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442691/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0574

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.546667

>  <SCORE.INTRA>
-6.34263

>  <SCORE.INTRA.DIHEDRAL>
-7.16377

>  <SCORE.INTRA.DIHEDRAL.0>
16.973

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.76074

>  <SCORE.INTRA.VDW.0>
-1.8727

>  <SCORE.INTRA.norm>
-0.211421

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.335246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000569

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 32  0  0  0  0  0  0  0  0999 V2000
  194.7664  203.9465  247.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6731  202.7879  248.3612 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6703  201.6683  247.2878 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4324  202.0611  246.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9145  202.3415  244.9440 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7827  201.9778  246.1389 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2272  200.4158  247.8158 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6898  199.1971  247.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7381  199.1104  246.7165 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3757  198.0105  248.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0166  197.8879  249.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5622  199.0574  250.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0965  199.0669  251.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5887  200.2778  252.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0837  200.3189  254.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6638  201.7615  255.0679 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.0133  203.3540  253.9295 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.5518  204.7876  254.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4383  205.7214  254.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9625  204.9215  253.6793 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.6740  203.7860  252.8378 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9595  205.9133  253.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3173  204.3080  255.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9895  203.2760  248.6760 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8488  202.3450  249.8539 P   0  0  0  0  0  0  0  0  0  0  0  0
  198.3852  201.3803  248.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9683  203.5109  250.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7082  201.4139  251.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0891  201.6998  247.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1748  200.4339  248.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5251  205.0649  255.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0387  203.8750  250.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6293  201.4709  250.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  6  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
>  <CHROM.1>
71.57384143,151.75256933,-106.74318915,140.96227105,-1.54295596,75.04096808
-66.05010261,173.43353883,-177.08156831,177.81298816,-179.88586028,56.85457464
178.29119454,123.64324289,-64.79141299,62.06492593,-67.89126878,86.02714279
119.88283152,171.23872540,197.09232776,202.17073489,250.81029911,-2.16519782
1.16966512,1.68545536

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442692/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.63757

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.764286

>  <SCORE.INTRA>
-12.7624

>  <SCORE.INTRA.DIHEDRAL>
4.7852

>  <SCORE.INTRA.DIHEDRAL.0>
7.85364

>  <SCORE.INTRA.POLAR>
-2.61117

>  <SCORE.INTRA.POLAR.0>
-0.103328

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.27705

>  <SCORE.INTRA.VDW.0>
-0.908059

>  <SCORE.INTRA.norm>
-0.455801

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.308485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.493045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  205.9318  214.3699  254.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4500  214.0432  254.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3107  212.6264  254.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0229  212.1845  254.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0338  212.8975  254.8196 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0023  210.6916  254.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6529  209.9860  255.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8008  210.0436  256.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7628  211.4521  257.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7715  212.1662  257.5324 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0196  211.8322  257.8536 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1186  213.1788  258.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5752  213.4424  258.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
179.82458400,2.46174275,65.64872112,71.12302218,-69.74660476,113.24001020
177.75071487,-179.36832670,203.66312715,212.25745018,256.24548306,0.19719824
-0.86166456,-1.43141823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442693/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.02359

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03077

>  <SCORE.INTRA>
-7.37641

>  <SCORE.INTRA.DIHEDRAL>
-9.17296

>  <SCORE.INTRA.DIHEDRAL.0>
12.2532

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.78993

>  <SCORE.INTRA.VDW.0>
2.59381

>  <SCORE.INTRA.norm>
-0.567416

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.463353

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047651

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 52 51  0  0  0  0  0  0  0  0999 V2000
  220.1967  180.7476  232.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6319  181.7605  233.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9896  181.3730  235.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5449  182.4515  236.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8888  182.0510  237.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5452  183.1791  238.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9473  182.8016  239.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6469  183.9509  240.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0838  183.5875  242.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9993  184.8075  243.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4525  184.4497  244.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4809  185.6930  245.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7995  185.3157  246.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8924  186.5644  247.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5441  187.2558  247.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6931  188.5858  248.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4986  188.7911  249.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8016  189.4987  248.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9465  190.8184  248.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9700  191.8432  247.9958 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.4771  193.2514  248.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6027  194.2833  247.8987 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5794  194.4120  246.1736 P   0  0  1  0  0  0  0  0  0  0  0  0
  216.3830  195.3586  246.2598 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9029  195.3663  246.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5561  194.5406  244.4485 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5342  193.6936  243.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4669  193.7759  242.3075 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.1382  193.2289  241.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0157  194.0135  242.1901 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6644  195.1280  241.8995 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7915  191.6435  246.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9454  190.6565  246.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2208  190.0040  246.9242 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9163  190.4825  244.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1612  189.7042  244.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1989  189.4714  242.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3311  188.5196  242.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3017  188.2121  240.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4656  187.3106  240.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4364  187.0149  239.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6169  186.1394  238.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5079  185.7250  237.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6031  184.7293  236.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4104  184.2058  235.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4904  183.1869  235.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2478  182.5913  233.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3100  181.5493  233.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0547  180.9481  232.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9651  196.1384  245.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.0624  194.1292  243.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.6425  195.1263  240.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  1  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
>  <CHROM.1>
174.45047203,179.29583232,175.45818305,-177.47900946,178.03336692,-178.44124309
170.68726278,-179.30096919,175.25872613,174.36006140,177.43271317,67.49802618
-172.43591611,-35.44687208,-175.53617912,176.70357105,-163.58621513,-176.03924127
79.68288732,-69.05732736,169.50520585,-141.36553639,173.24656136,177.79534801
-65.00105482,65.52847433,178.16405537,-51.86898803,7.38604499,78.22794997
179.34984868,-171.48886728,175.93959300,177.56616290,-179.60468465,178.74844864
174.10327824,-173.86170035,174.18762376,-178.81050030,176.22229117,-178.96211137
179.44679417,219.48618758,188.12826769,242.22869843,0.61817077,1.27807885
-1.38360400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442694/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
33.3379

>  <SCORE.INTER>
45.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
40

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.926531

>  <SCORE.INTRA>
-12.0621

>  <SCORE.INTRA.DIHEDRAL>
-2.91101

>  <SCORE.INTRA.DIHEDRAL.0>
14.392

>  <SCORE.INTRA.POLAR>
0.147436

>  <SCORE.INTRA.POLAR.0>
-0.826741

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.1079

>  <SCORE.INTRA.VDW.0>
0.115403

>  <SCORE.INTRA.norm>
-0.246165

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
49

>  <SCORE.norm>
0.680365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.080264

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  221.7221  194.5954  243.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3571  193.8461  242.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4239  192.8590  242.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0705  192.1023  241.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5439  190.8738  240.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1189  190.1699  239.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2981  190.6575  239.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8400  191.8727  239.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2279  192.5928  240.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6570  188.8891  239.5825 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.5552  188.2751  240.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.8285  188.8965  238.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-179.96197731,-90.78578522,-47.12184285,223.86221325,191.84969302,240.98931594
2.03470884,0.43760808,0.45403450

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442695/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.81278

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-0.587216

>  <SCORE.INTRA.DIHEDRAL>
-0.250306

>  <SCORE.INTRA.DIHEDRAL.0>
1.33474

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.462063

>  <SCORE.INTRA.VDW.0>
-0.212579

>  <SCORE.INTRA.norm>
-0.0587216

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.781278

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000374

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 67 67  0  0  0  0  0  0  0  0999 V2000
  206.9807  209.7358  262.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1112  210.3778  261.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0762  211.2867  262.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1590  211.8777  261.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0723  212.7081  261.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0936  213.2060  260.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7563  214.2597  260.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7328  214.8772  259.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3643  216.0179  258.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3556  216.6022  257.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9368  217.8338  256.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9988  218.3226  255.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4966  219.6449  255.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6864  220.0373  253.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3775  220.6975  254.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3680  219.6376  254.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0316  220.2425  255.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0963  219.1358  255.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8466  218.9037  256.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5509  218.4551  254.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9196  217.1992  254.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9294  216.1900  255.4828 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2059  214.8450  255.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0658  213.8402  256.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3412  214.1653  257.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8024  215.0908  258.2025 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3654  213.2536  258.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8643  213.4353  259.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3983  214.5610  260.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8975  212.5312  260.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5358  211.5884  259.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5749  210.6635  259.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1752  209.7392  259.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8092  209.5340  257.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2317  208.8535  259.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7366  208.8942  260.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8255  208.0251  261.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9212  207.7066  262.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9844  206.8798  263.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9414  206.3705  262.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8468  206.7123  260.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8171  207.5411  260.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8629  207.8578  258.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9220  205.5561  262.7715 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2417  204.3810  262.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1017  206.5197  264.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8962  208.2263  263.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0572  216.0244  254.5689 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2246  215.5975  255.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4029  215.4713  256.3531 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2996  215.2372  254.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7012  216.4584  253.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8292  216.1393  252.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2270  217.3846  251.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4455  217.0970  250.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8703  218.3512  249.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1632  218.0940  249.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6320  219.3699  248.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0588  219.2020  248.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4926  220.4400  247.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9561  220.3240  246.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3530  221.4921  246.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8240  221.3926  245.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2167  222.5500  244.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7014  222.4849  244.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0937  223.6128  243.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5693  223.5279  243.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  6  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 47  1  0  0  0  0
 39 40  2  0  0  0  0
 39 46  1  0  0  0  0
 40 41  1  0  0  0  0
 40 44  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 44 45  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
M  END
>  <CHROM.1>
-177.18705061,176.19710895,-175.50355859,-70.33669929,-173.13175782,174.75747493
177.91861807,174.03423481,173.27079241,173.32510838,171.57764702,81.78616937
-78.75497691,-179.80190640,-177.32656654,103.63422544,165.66219847,-63.60861714
-174.99719965,-176.77079903,155.50672762,70.19112217,7.38595608,175.32593314
8.91070744,-179.69401629,-2.75275177,-152.78627648,136.61740893,-6.87155547
62.66736719,177.17978926,-178.57424213,174.01862751,-178.17237910,174.58214596
-176.57791993,167.50235937,175.92124176,175.05001659,174.17507015,178.83727977
179.14029248,177.65629535,177.99742243,-178.81823362,202.19509510,214.76973907
256.04631861,-1.76865163,0.28500197,-0.81072257

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442696/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
38.444

>  <SCORE.INTER>
51.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
46

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.767164

>  <SCORE.INTRA>
-12.956

>  <SCORE.INTRA.DIHEDRAL>
-9.65325

>  <SCORE.INTRA.DIHEDRAL.0>
29.6614

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00159497

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.13739

>  <SCORE.INTRA.VDW.0>
1.49514

>  <SCORE.INTRA.norm>
-0.193374

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
67

>  <SCORE.norm>
0.57379

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.070642

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  205.5458  191.9755  239.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8227  191.2339  240.2054 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.0373  191.3564  241.7125 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.0156  190.2073  242.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3592  190.4530  241.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4399  191.2018  240.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1574  191.7119  239.5419 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.1506  193.2441  239.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7836  193.6966  241.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5534  192.6810  242.1506 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1781  191.1975  238.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7133  191.6412  239.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8485  191.3396  240.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7714  190.5101  241.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5283  190.0554  242.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0556  191.9035  240.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4393  192.5372  242.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9379  192.4596  239.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-2.29189101,208.99552934,191.56454817,240.64108506,-2.99323134,-0.11434798
2.02292269

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442697/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.1538

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3375

>  <SCORE.INTRA>
-0.2462

>  <SCORE.INTRA.DIHEDRAL>
-0.702563

>  <SCORE.INTRA.DIHEDRAL.0>
0.706768

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.105082

>  <SCORE.INTRA.VDW.0>
0.280008

>  <SCORE.INTRA.norm>
-0.0153875

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.322113

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004583

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  200.2360  217.7450  240.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4695  217.0319  242.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9288  215.7249  242.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0786  214.5008  241.1425 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3583  213.2277  241.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0069  213.6505  242.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2099  214.6079  243.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1378  215.6741  243.2162 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2942  216.8285  243.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7178  217.2114  245.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0349  218.4871  245.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8862  219.3498  244.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4214  218.9469  243.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1069  217.6683  243.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0659  212.1105  240.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2383  212.5962  242.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4969  214.0910  240.8661 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6833  214.8839  241.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7955  214.8337  242.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0341  215.5822  243.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2982  214.9637  242.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2447  215.0725  241.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0039  214.3424  240.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6005  214.0238  239.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  1  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-9.60104214,69.14999068,199.85669506,215.54795620,242.58036237,-2.37303124
-0.22042793,-2.65849489

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442714/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.49644

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
0.0964407

>  <SCORE.INTRA.DIHEDRAL>
2.09406

>  <SCORE.INTRA.DIHEDRAL.0>
0.321904

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.950591

>  <SCORE.INTRA.VDW.0>
-0.803812

>  <SCORE.INTRA.norm>
0.00419308

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.325932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  207.0650  218.7742  264.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9889  217.7900  264.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2473  217.6855  263.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2225  216.3259  263.1459 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.7083  216.0599  264.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6389  216.8790  265.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1070  215.0822  265.5201 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0177  214.2397  265.0534 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.5917  213.5813  266.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3918  213.8915  267.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3848  214.8751  266.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2119  215.3899  267.5979 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3553  213.4394  268.6457 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4823  212.6203  266.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3542  212.1009  267.6121 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5685  212.3316  265.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5485  211.3993  265.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9022  211.5856  264.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8050  211.0080  263.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4539  211.4957  262.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1807  212.5260  261.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2777  213.1103  262.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5915  212.6131  263.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5969  213.0657  264.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4950  213.2611  263.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4272  212.2620  264.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8405  211.3119  263.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3354  211.3647  262.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4190  212.3413  261.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9891  213.2765  262.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7084  210.4621  261.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2900  218.5185  261.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0358  219.4977  261.7527 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3775  218.2044  260.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6168  212.7996  268.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3499  209.8464  261.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  6  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 36  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
-1.47616467,-1.60596789,65.21836903,174.22234160,0.88471867,174.31233188
-0.68803715,202.98214147,214.18423445,264.15105181,-0.22528933,0.76411269
1.83842695

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442715/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.17993

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.305882

>  <SCORE.INTRA>
-5.22007

>  <SCORE.INTRA.DIHEDRAL>
-9.55301

>  <SCORE.INTRA.DIHEDRAL.0>
10.9435

>  <SCORE.INTRA.POLAR>
-0.0855498

>  <SCORE.INTRA.POLAR.0>
-0.0806477

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.1527

>  <SCORE.INTRA.VDW.0>
-2.9252

>  <SCORE.INTRA.norm>
-0.153532

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.152351

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000046

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  186.4298  206.4082  254.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6676  206.4803  255.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7500  206.2246  256.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6160  205.9041  257.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3818  205.8309  256.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2679  206.0575  255.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9020  205.9780  254.6414 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.3174  207.3047  254.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1473  208.3198  255.1435 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9723  205.0602  253.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9374  206.2968  257.2265 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.0505  208.4988  255.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.5487  207.9377  255.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.2111  204.2065  253.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <CHROM.1>
-64.86012455,-59.73405386,61.32200127,58.09743542,185.68239720,206.35625357
255.50047502,-0.27704850,0.42733129,-2.34292608

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442716/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.00225

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-2.39775

>  <SCORE.INTRA.DIHEDRAL>
-2.91894

>  <SCORE.INTRA.DIHEDRAL.0>
3.85337

>  <SCORE.INTRA.POLAR>
0.284006

>  <SCORE.INTRA.POLAR.0>
-0.284006

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.9039

>  <SCORE.INTRA.VDW.0>
0.684796

>  <SCORE.INTRA.norm>
-0.217977

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.545659

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004101

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  205.9127  218.1833  264.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2676  219.0016  263.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6745  219.5845  263.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3633  217.9966  262.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1271  220.0636  263.1960 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.2526  220.8821  261.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3350  221.9735  261.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5353  222.6180  263.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8000  222.2044  264.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8281  221.0649  264.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1213  223.1158  265.7232 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.3734  223.9505  264.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5470  223.5874  263.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6310  224.1736  262.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8265  223.8859  261.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4793  225.0282  263.4652 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1742  224.8022  265.6909 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8379  224.3504  266.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7375  224.8330  267.9448 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7932  223.2086  266.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4683  222.7830  267.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3685  221.7027  267.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0957  221.1480  268.6407 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9740  219.9236  267.9411 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.4722  220.0433  266.3608 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5924  221.0554  266.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9121  221.5199  265.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0253  222.6017  265.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9378  225.7757  262.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.3055  225.1697  264.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.8665  225.7684  265.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  2  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-174.32322793,55.16226863,-0.10265415,-150.60596498,-123.81693549,179.17485382
208.50007622,221.93155897,265.06011919,-3.04993652,-0.64036919,0.08014407

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442717/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.18853

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.21147

>  <SCORE.INTRA.DIHEDRAL>
-3.55439

>  <SCORE.INTRA.DIHEDRAL.0>
5.25301

>  <SCORE.INTRA.POLAR>
-0.838871

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.582111

>  <SCORE.INTRA.VDW.0>
-0.10791

>  <SCORE.INTRA.norm>
-0.186124

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.221019

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000411

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  192.5803  220.0618  256.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7372  219.1459  256.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9491  219.3532  255.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8731  219.0159  254.3276 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1320  219.2057  253.8182 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9752  219.6493  254.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2521  219.8569  255.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7058  220.2751  257.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3221  219.9151  258.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2634  220.5949  259.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4549  220.6903  260.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5784  221.3509  261.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5136  221.9331  260.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3256  221.9162  259.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1961  221.2533  258.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7779  221.1220  257.4227 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2212  218.9316  259.0389 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6564  217.4615  259.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4472  216.6106  258.5337 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7534  216.3693  257.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6102  215.3661  257.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7864  217.1758  258.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8244  217.1712  259.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4013  219.5329  260.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3923  219.6200  254.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2244  221.5698  256.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0085  220.3254  259.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  1  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
-67.90697445,26.33207348,101.19691216,-57.63703599,61.05107754,-58.90819669
-74.84845007,69.97977432,196.50002432,219.28140174,257.74278519,-2.57275040
0.86747640,1.96079443

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442718/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.16186

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-7.23814

>  <SCORE.INTRA.DIHEDRAL>
-9.66542

>  <SCORE.INTRA.DIHEDRAL.0>
14.6091

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.40543

>  <SCORE.INTRA.VDW.0>
-2.38715

>  <SCORE.INTRA.norm>
-0.289526

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.206474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000052

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  220.2166  172.8285  252.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8150  173.9553  251.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4772  173.6999  250.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1053  174.8363  249.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1829  175.6135  249.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9071  174.8525  248.3832 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6254  175.8973  247.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5797  175.8133  246.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
179.64484446,-110.54364371,179.58979028,-179.98030445,218.86694632,174.69666795
249.33117145,-1.40567162,0.40626291,-1.13111148

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442719/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.88281

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-3.72912

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.652629

>  <SCORE.INTRA.VDW.0>
0.959555

>  <SCORE.INTRA.norm>
-0.314649

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.860351

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.055175

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  224.5775  188.2311  235.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5584  188.2235  236.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9329  189.1529  237.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0977  190.4773  236.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0949  190.5084  235.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7459  189.5642  234.4011 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.5662  190.0630  233.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4464  189.4837  232.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6061  189.8352  231.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4091  189.1548  229.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4822  189.4833  228.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8491  189.1010  229.2507 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.9110  189.8006  228.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9834  189.3775  227.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2672  187.9783  226.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.2683  187.2022  227.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0678  187.6421  229.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6077  191.3476  231.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6090  192.6024  230.9998 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.0167  189.3635  231.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9853  190.3704  232.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2117  190.0999  232.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5128  188.8160  233.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6204  187.7678  232.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0163  186.4936  233.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2259  185.3732  233.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0233  185.5230  232.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6030  186.7962  232.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3669  187.9908  232.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  3  0  0  0  0
 20 29  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-81.22307930,-62.81277882,177.87579298,177.90122079,-118.77400867,59.32682527
-160.49811300,225.93546840,188.89992169,231.97681974,-2.25243785,0.93692237
-1.08488056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442720/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.66492

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-4.73508

>  <SCORE.INTRA.DIHEDRAL>
1.16892

>  <SCORE.INTRA.DIHEDRAL.0>
0.85735

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.31955

>  <SCORE.INTRA.VDW.0>
-0.0583489

>  <SCORE.INTRA.norm>
-0.163279

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.264307

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.032857

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  202.0334  219.0369  242.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3289  218.2906  244.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5395  218.8786  245.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6748  218.3282  246.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2540  219.1372  247.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3679  218.6927  248.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8782  217.4194  249.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2875  216.6085  248.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1736  217.0554  246.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9856  217.0157  250.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4612  215.8398  250.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4351  215.4531  252.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8630  214.3265  252.9305 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4155  213.4912  251.9591 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8096  216.4009  253.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6573  212.9210  251.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
179.91374071,160.63920551,-179.44254867,179.12446656,-95.07080542,202.11702196
217.02472549,248.75379598,-1.76664523,-1.11570160,1.83692022

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442721/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.55831

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-4.84169

>  <SCORE.INTRA.DIHEDRAL>
-10.9658

>  <SCORE.INTRA.DIHEDRAL.0>
11.538

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.641199

>  <SCORE.INTRA.VDW.0>
1.16962

>  <SCORE.INTRA.norm>
-0.32278

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.303887

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000708

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  185.3290  214.1032  255.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4570  214.8682  256.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0050  214.9437  257.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5606  215.0737  257.8828 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0794  214.5203  256.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6691  215.4915  258.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4510  215.4148  258.6826 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2002  216.0066  260.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4366  216.4115  261.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2659  216.8550  262.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5203  216.7161  261.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5342  216.2056  260.4414 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6768  217.1775  262.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2455  218.7965  261.8833 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.0666  218.6589  260.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8964  218.0146  259.3758 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3336  217.9602  258.1282 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1721  218.5998  258.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9367  219.0575  259.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8145  219.7843  259.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9980  220.8883  260.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8978  221.6304  261.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6137  221.3025  260.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4244  220.2057  259.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5180  219.4364  259.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2755  218.3348  258.8379 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.3447  218.8129  256.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4231  219.8644  256.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5818  219.9710  255.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6917  219.0653  254.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6504  218.0559  254.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4687  217.9318  255.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-177.71024042,-101.63764060,-37.64140166,-77.79322683,-155.39366102,43.34544992
184.97117915,217.80501045,258.98954473,-1.79569732,-1.20114602,0.80483711

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442722/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.6713

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-4.7287

>  <SCORE.INTRA.DIHEDRAL>
0.602645

>  <SCORE.INTRA.DIHEDRAL.0>
13.3391

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.03002

>  <SCORE.INTRA.VDW.0>
-3.60279

>  <SCORE.INTRA.norm>
-0.147772

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.208478

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000480

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  221.7326  194.2724  243.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5869  194.0592  242.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6142  193.1731  241.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7904  192.4836  241.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9399  192.7181  241.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9138  193.6119  243.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7954  191.3811  240.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7490  190.3279  240.2002 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3970  189.3950  238.8456 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.6183  189.4862  238.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8885  188.4066  238.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4963  188.4772  238.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8215  189.6378  238.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5435  190.7346  238.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9362  190.6631  239.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8464  189.4325  241.6409 S   0  0  1  0  0  0  0  0  0  0  0  0
  220.8725  190.2950  242.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2304  188.6279  241.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9943  187.3200  241.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6760  186.8035  241.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5584  187.5843  241.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8460  188.8991  242.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1319  189.4192  242.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1978  187.1106  241.5166 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5211  186.4624  242.9323 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.9338  187.1579  242.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9895  187.3346  243.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7233  187.7958  243.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4002  188.0046  241.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3795  187.8786  241.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6742  187.5270  241.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1286  187.7173  240.3174 S   0  0  2  0  0  0  0  0  0  0  0  0
  213.9380  186.7462  239.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  1  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 32  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  6  0  0  0
M  END
>  <CHROM.1>
-47.91983474,160.41579029,-129.84432680,51.87096926,-147.03425397,98.84533422
94.67987681,217.41855535,189.24510997,241.07460368,0.16422364,0.45547001
1.15688531

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442723/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.1768

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-4.2232

>  <SCORE.INTRA.DIHEDRAL>
0.241249

>  <SCORE.INTRA.DIHEDRAL.0>
4.46859

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.34382

>  <SCORE.INTRA.VDW.0>
-4.3211

>  <SCORE.INTRA.norm>
-0.127976

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.247782

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000516

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  214.0640  189.9976  243.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0823  188.9637  245.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1049  189.2678  246.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9017  190.5709  246.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9197  191.6607  245.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9374  191.3448  244.5058 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8407  192.1662  244.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7525  193.2842  244.8201 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8105  191.5464  243.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6354  192.2994  243.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8254  192.6951  244.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6840  193.4664  244.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4143  193.8891  242.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2504  193.5578  241.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3660  192.7671  242.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3374  194.6498  242.6707 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.1582  192.3281  245.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9384  193.0997  246.8090 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7331  190.9653  246.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2399  190.6259  247.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7261  189.3066  247.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5966  188.1360  246.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1938  187.0043  247.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7839  187.3387  248.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6432  189.0055  248.9950 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
178.50178271,-64.68656907,143.91938513,170.17120139,-11.90189817,211.73615056
191.13399854,245.43065597,-0.96110135,0.30422961,-0.92904905

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442724/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.7084

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-4.6916

>  <SCORE.INTRA.DIHEDRAL>
-2.67731

>  <SCORE.INTRA.DIHEDRAL.0>
12.2812

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.35294

>  <SCORE.INTRA.VDW.0>
-0.676593

>  <SCORE.INTRA.norm>
-0.187664

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.228336

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001556

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  182.8584  206.1384  252.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2143  206.6371  253.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7146  205.7043  254.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9401  205.9864  254.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2228  205.3426  255.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4288  205.5834  256.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3802  206.4577  256.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1068  207.0716  254.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8940  206.8323  254.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6158  206.7277  256.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8584  206.1516  257.9581 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0347  206.6561  258.3518 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5854  207.5355  257.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6933  207.5835  256.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8240  208.2094  257.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4266  208.0159  258.8187 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2188  209.0799  256.7788 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2105  210.0044  256.9711 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3842  210.7341  255.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3600  211.7852  255.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3402  212.2205  256.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2193  212.9793  255.9369 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8369  212.9782  254.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5153  213.3214  253.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8034  213.2157  252.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4448  212.9075  252.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7907  212.5622  253.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5399  212.4908  254.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5988  211.9544  258.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4151  206.3866  259.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6820  209.1251  255.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0775  213.3827  256.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
179.74250526,160.34199494,0.19291788,0.31467429,-178.21262735,3.66657105
191.59573691,209.01991623,255.63338912,2.87841840,0.49064457,2.12423664

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442725/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72556

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-2.67444

>  <SCORE.INTRA.DIHEDRAL>
-6.15835

>  <SCORE.INTRA.DIHEDRAL.0>
6.82065

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.40474

>  <SCORE.INTRA.VDW.0>
0.170795

>  <SCORE.INTRA.norm>
-0.092222

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.300881

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  197.9807  222.7591  262.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4630  221.4437  262.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3042  220.5224  263.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2501  219.6236  263.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2877  218.7560  264.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3566  218.7017  265.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4127  219.5875  265.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3866  220.4804  264.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3503  217.7425  266.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4392  216.2783  266.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2452  215.3398  267.3079 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4576  215.5706  268.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1844  214.6804  269.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0167  216.8420  268.5600 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1101  217.8845  267.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0303  219.6724  262.8698 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7224  220.4954  261.7346 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.2361  220.1432  261.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3384  219.1663  260.2621 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.2509  217.9597  260.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6643  218.5279  260.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3857  220.0315  260.3816 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2307  220.0080  259.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5126  214.3769  267.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3793  216.9544  269.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 17 16  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
92.80053604,14.12892306,67.29577697,178.88554036,197.12025053,218.77123490
264.02938856,-1.86534496,0.76901455,2.29433572

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442726/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.48307

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-1.91693

>  <SCORE.INTRA.DIHEDRAL>
-3.63282

>  <SCORE.INTRA.DIHEDRAL.0>
9.75999

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.100517

>  <SCORE.INTRA.VDW.0>
-1.71921

>  <SCORE.INTRA.norm>
-0.0833447

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.325351

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000119

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  184.0734  220.7901  259.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0300  220.6696  258.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5684  219.8297  257.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.7414  219.6058  256.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6572  220.1408  256.4770 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4242  218.7809  255.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8461  218.3944  254.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6168  217.7325  253.4751 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0013  217.7857  253.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6586  218.1851  254.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9069  218.4630  255.8575 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.0322  217.2632  256.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4594  216.0254  256.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5265  214.9542  257.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1709  215.1139  258.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7793  216.3219  258.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7183  217.3891  258.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1968  213.8149  259.7265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.1293  218.4135  254.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7373  218.8242  255.4935 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8315  218.2353  253.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1940  217.1284  252.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6821  217.4037  252.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4406  215.7483  252.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8349  217.1229  250.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4153  218.6173  254.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1535  217.4998  252.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 23  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.14364238,5.63467593,179.80240825,58.01907143,184.95115415,217.61368628
255.92438088,2.12315515,-0.84936703,2.06899542

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442727/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.65834

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-3.74166

>  <SCORE.INTRA.DIHEDRAL>
-8.21642

>  <SCORE.INTRA.DIHEDRAL.0>
9.32089

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.366551

>  <SCORE.INTRA.VDW.0>
-1.29909

>  <SCORE.INTRA.norm>
-0.14391

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.217629

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000373

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  206.6973  203.2200  253.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7302  202.7204  252.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4155  201.4624  252.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5231  200.9292  250.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8171  200.6185  250.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9527  200.0702  249.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8398  199.8009  248.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5721  200.1206  248.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4138  200.6709  250.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0436  199.1409  247.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3016  198.8590  246.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4814  199.1511  247.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6035  198.8819  247.0596 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2411  199.6847  248.7201 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9136  198.7247  246.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8709  200.7478  251.3894 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2266  200.8122  251.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0603  201.5232  249.9663 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.9577  200.3303  252.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4790  199.6034  253.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5549  201.0506  252.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9620  200.4134  252.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
-178.87303021,124.28536725,-164.00983480,209.23655030,200.44137203,249.93097955
1.66244225,-0.13141970,1.13999873

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442728/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.03747

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-1.36253

>  <SCORE.INTRA.DIHEDRAL>
-0.602267

>  <SCORE.INTRA.DIHEDRAL.0>
4.73624

>  <SCORE.INTRA.POLAR>
-0.0407486

>  <SCORE.INTRA.POLAR.0>
-0.107165

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.922851

>  <SCORE.INTRA.VDW.0>
-0.137423

>  <SCORE.INTRA.norm>
-0.0681265

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.351874

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 42  0  0  0  0  0  0  0  0999 V2000
  207.4973  193.7600  252.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8968  194.9420  251.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2280  196.2532  252.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7001  197.3770  251.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1194  198.7623  251.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6818  199.8186  250.6790 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0731  201.2486  250.7331 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.6809  202.2374  251.7720 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.2106  201.4497  252.8590 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3337  201.8280  253.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3066  202.6075  254.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5753  201.0289  253.0729 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.1314  199.5772  252.7237 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0503  199.3237  251.2964 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1796  199.9108  250.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6322  200.4750  249.4578 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0903  198.5217  253.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3086  201.6804  251.9849 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7330  202.9936  252.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5391  203.7471  252.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3860  203.5207  250.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6255  202.6762  249.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3464  203.1676  248.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7780  204.5033  248.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4855  205.3495  249.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7881  204.8579  250.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6908  202.4444  247.4286 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4151  201.1509  247.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7951  200.6743  246.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2128  201.3703  249.7095 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6693  203.1945  251.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6341  201.1330  250.9616 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9315  200.6007  249.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4188  200.2746  248.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4743  200.4370  250.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2671  199.3931  251.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8244  199.3750  251.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6463  197.9958  250.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3768  201.1746  251.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.1787  202.9325  246.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.5131  201.2512  249.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  1  0  0  0
  8  9  1  0  0  0  0
  8 31  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  6  0  0  0
 13 14  1  0  0  0  0
 13 17  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 40  1  0  0  0  0
 28 29  2  0  0  0  0
 30 41  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <CHROM.1>
179.69529685,-179.54326150,179.35490713,172.60644784,-68.33018449,51.88124157
-4.14194024,113.85397977,1.13648595,-2.62950057,-65.82467047,171.39248650
209.17421648,200.72394731,250.92198211,-2.61448194,0.26224463,0.01613479

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442729/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1011

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.431579

>  <SCORE.INTRA>
-5.29889

>  <SCORE.INTRA.DIHEDRAL>
-2.75657

>  <SCORE.INTRA.DIHEDRAL.0>
11.0392

>  <SCORE.INTRA.POLAR>
-1.06489

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.299986

>  <SCORE.INTRA.VDW.0>
-3.92448

>  <SCORE.INTRA.norm>
-0.139444

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.292135

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000771

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  199.0912  200.2558  246.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2901  201.7100  247.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5435  202.5778  246.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4302  202.0952  248.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5943  203.4458  248.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7096  203.8666  249.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6569  202.9285  249.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4772  201.5716  249.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3684  201.1571  248.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2722  203.4640  250.2541 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.0426  204.2621  251.4363 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0952  202.2780  250.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9408  204.5342  249.0570 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1819  205.2603  249.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9295  206.3848  250.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9305  207.4408  250.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3600  208.7248  249.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4351  209.7104  249.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0717  209.4260  249.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6318  208.1606  249.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5546  207.1751  250.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2678  203.7434  247.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0896  203.1813  247.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1230  203.9314  246.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0965  203.3244  245.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0745  204.0936  245.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1646  203.5264  244.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2649  202.1591  243.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2662  201.3768  244.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1691  201.9642  245.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1627  201.1918  245.9665 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0835  201.6985  246.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9025  200.9627  247.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3517  201.6944  242.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8073  200.3961  243.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1437  204.2409  243.6319 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2425  204.8821  244.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1990  200.1924  245.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 32  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 28 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 38  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
-178.60441803,62.90552927,168.99010140,-73.24755906,66.65597443,-54.16867708
-106.48206216,62.33002854,-56.71341902,-140.99104461,202.41698345,203.69366419
247.62206510,-2.51880380,-0.77137724,0.10786461

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442738/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.51954

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416216

>  <SCORE.INTRA>
-7.88046

>  <SCORE.INTRA.DIHEDRAL>
4.80913

>  <SCORE.INTRA.DIHEDRAL.0>
3.92664

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.285

>  <SCORE.INTRA.VDW.0>
2.37188

>  <SCORE.INTRA.norm>
-0.212985

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.203231

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000210

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  206.1347  219.8235  253.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8865  219.5401  253.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6339  220.0529  253.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6926  219.4471  254.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3716  218.6020  255.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7361  218.6512  254.9772 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7861  217.9317  255.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0690  218.4841  255.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0954  217.7802  256.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8242  216.5492  256.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5561  215.9902  256.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5475  216.6645  256.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7963  215.8886  257.5990 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.7935  217.8469  256.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2531  219.7108  254.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6044  220.5867  253.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9111  220.5047  253.8234 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.1955  219.3827  255.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4357  219.0364  255.2778 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0714  218.9719  255.7303 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0974  218.0769  256.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0992  217.6262  257.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6905  217.7469  257.3195 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.1147  218.9326  258.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7827  219.1414  259.3365 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0559  217.9690  259.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5157  218.0719  261.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8383  216.9189  262.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6818  215.6623  261.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2211  215.5580  260.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9357  216.7132  259.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5981  216.5356  258.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1921  219.3703  255.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 23 21  1  1  0  0  0
 23 32  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-1.30537119,32.29142683,-179.47390357,-71.95363680,201.28994737,218.21049035
256.65887832,0.29717467,0.17207619,-1.00568380

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442739/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.95261

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-2.44739

>  <SCORE.INTRA.DIHEDRAL>
-6.20888

>  <SCORE.INTRA.DIHEDRAL.0>
10.9721

>  <SCORE.INTRA.POLAR>
0.0203392

>  <SCORE.INTRA.POLAR.0>
-0.0203392

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.587894

>  <SCORE.INTRA.VDW.0>
-1.60237

>  <SCORE.INTRA.norm>
-0.0764811

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.217269

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 44 49  0  0  0  0  0  0  0  0999 V2000
  193.0531  203.0688  248.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1389  204.3297  248.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3879  204.9129  249.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5091  206.0176  250.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3803  206.5546  250.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1192  206.0128  250.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9993  204.9077  249.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5983  207.6163  251.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6900  208.0273  252.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4220  207.9174  252.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3009  208.8943  253.3493 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.5983  210.2035  252.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5873  210.4625  251.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1493  210.5605  252.0384 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8724  210.8865  251.1829 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.9806  212.0873  249.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4868  212.5019  249.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9939  211.5511  249.2457 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.8455  210.0094  250.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5410  209.6776  250.9123 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.7032  209.9962  249.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7658  211.3544  250.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3697  211.9997  251.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8410  208.3025  251.4226 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.4287  208.5795  252.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8893  209.1110  252.7277 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.8247  208.7573  253.9303 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8018  207.2534  254.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3541  209.5091  255.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1439  209.3683  256.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3778  209.9673  256.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8720  210.6618  255.6027 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1151  209.6316  257.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6683  207.4404  251.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8715  206.1442  251.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9550  205.6337  252.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5639  205.3853  251.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3505  206.0217  251.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1431  205.2969  251.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1293  203.9238  251.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3274  203.3048  252.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5328  204.0245  252.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8898  203.0964  251.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3523  211.9630  252.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  1  0  0  0
 15 20  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 43  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <CHROM.1>
-1.10402353,177.64552515,69.40821296,174.22897198,-52.43068819,70.45872971
2.34827816,0.44603536,3.30297144,189.43059735,208.05415786,251.92209501,-0.34911943
0.08790154,-2.81697920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442740/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.95808

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.327273

>  <SCORE.INTRA>
-10.4419

>  <SCORE.INTRA.DIHEDRAL>
-20.704

>  <SCORE.INTRA.DIHEDRAL.0>
22.2763

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0899183

>  <SCORE.INTRA.VDW.0>
-1.43293

>  <SCORE.INTRA.norm>
-0.237316

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.0899563

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002228

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  179.7265  214.3442  256.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8063  213.6645  256.0185 N   0  3  0  0  0  0  0  0  0  0  0  0
  181.0521  213.8926  254.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1166  213.0511  254.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7810  213.4433  252.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6781  212.5864  252.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9201  211.3105  252.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3085  210.9442  253.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4462  211.8103  254.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8433  211.4144  255.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6152  212.6555  256.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6015  210.2755  252.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.3781  209.9827  250.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2848  213.1948  251.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7027  213.1644  251.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3053  214.8740  253.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0305  214.6993  252.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1039  215.9705  251.8912 S   0  0  0  0  0  0  0  0  0  0  0  0
  179.0183  216.7599  253.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7175  216.1178  254.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.0581  218.3439  253.6544 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-145.76884103,127.21516072,-43.43181305,181.06762198,214.42256431,253.50393579
2.87052902,0.80630115,-1.04429386

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442741/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.09602

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.30398

>  <SCORE.INTRA.DIHEDRAL>
-1.94023

>  <SCORE.INTRA.DIHEDRAL.0>
10.4014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.333865

>  <SCORE.INTRA.VDW.0>
0.743399

>  <SCORE.INTRA.norm>
-0.0620942

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.337906

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000127

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  207.8584  189.1364  238.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2005  189.1661  237.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8186  189.3769  237.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1126  189.5537  238.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7856  189.5459  239.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1498  189.3224  239.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7220  189.7037  240.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7214  189.7008  242.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6509  189.6931  243.1224 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9668  189.3690  244.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2968  189.3756  244.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2411  189.6309  243.1939 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.9418  189.0264  245.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6378  188.8746  244.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8863  189.0097  246.1061 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5462  188.3404  247.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8980  188.4778  246.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8097  188.0137  247.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3297  187.2639  248.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9585  187.0522  249.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0225  187.6479  248.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3360  185.8595  250.3597 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.5006  189.8297  240.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7283  189.7605  238.7579 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6930  189.6807  242.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1677  189.7022  246.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
6.93984013,203.64378375,188.39758259,244.64463556,-1.18384022,-0.08093183
1.88988760

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442743/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33791

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-0.0620867

>  <SCORE.INTRA.DIHEDRAL>
-0.166445

>  <SCORE.INTRA.DIHEDRAL.0>
0.4262

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0211359

>  <SCORE.INTRA.VDW.0>
-0.517428

>  <SCORE.INTRA.norm>
-0.00258695

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.26408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000117

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  200.5320  200.5906  255.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6440  199.3790  254.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2415  199.7199  255.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7061  198.9925  253.3542 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1516  198.6621  252.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0242  199.6934  252.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3659  199.4310  252.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8438  198.1279  252.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9833  197.0882  252.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6358  197.3417  253.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7439  196.1703  253.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2754  196.5152  253.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8001  197.7899  252.8900 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.7734  197.5426  251.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4038  198.7893  250.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0795  199.4262  250.7683 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1230  200.8699  250.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0474  198.7613  249.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5908  198.8662  250.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3994  198.2007  251.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7227  196.7479  251.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9975  195.8421  251.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5550  194.6314  251.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1201  193.3416  251.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8224  192.2417  251.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9559  192.4259  252.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4216  193.7085  252.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6809  194.7900  252.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7864  196.1534  252.3710 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4293  198.0355  253.2399 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4781  196.6321  252.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0934  198.7754  252.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  1  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <CHROM.1>
59.17913889,-53.49180653,67.87487634,-58.53606292,149.49506664,157.32965278
-61.80264704,-61.14300963,-69.64470015,198.03565730,197.39933119,252.33902257
0.48447218,-0.31195918,-0.11292430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442745/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.186471

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-13.5865

>  <SCORE.INTRA.DIHEDRAL>
-4.12512

>  <SCORE.INTRA.DIHEDRAL.0>
7.75164

>  <SCORE.INTRA.POLAR>
-1.79759

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.41212

>  <SCORE.INTRA.VDW.0>
2.22879

>  <SCORE.INTRA.norm>
-0.452882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.0062157

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000110

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  198.2243  210.6002  251.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9361  211.0199  250.2520 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1617  212.3464  249.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1591  213.2456  250.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4574  212.5175  248.7222 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4124  211.6570  247.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6130  211.1650  247.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6144  210.2439  245.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4156  209.8405  245.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2244  210.4009  245.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1977  211.3214  246.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8153  211.8575  247.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6450  212.7335  248.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5033  213.9569  248.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9528  215.2289  248.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7843  216.3448  248.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1669  216.2010  248.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7202  214.9390  248.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8917  213.8108  248.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2153  211.1175  249.5300 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6986  210.0974  248.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2300  208.9887  248.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8408  210.6277  248.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6845  210.0045  247.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5813  210.8162  246.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5996  212.2126  246.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7458  212.8153  247.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8870  211.9879  248.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8294  212.2989  249.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5710  213.4478  249.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 29  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
22.89514333,96.52141388,197.76022364,212.11708091,248.22489861,-0.39353771
-0.20255284,0.54655235

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442754/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4925

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.246667

>  <SCORE.INTRA>
-1.9075

>  <SCORE.INTRA.DIHEDRAL>
-2.32155

>  <SCORE.INTRA.DIHEDRAL.0>
4.96483

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.746727

>  <SCORE.INTRA.VDW.0>
-1.51739

>  <SCORE.INTRA.norm>
-0.0635834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.183083

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002573

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  192.7510  228.3559  257.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0241  227.0851  257.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2482  227.3888  255.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1300  228.2009  255.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5528  228.2893  254.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0961  227.5758  253.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2390  226.7842  253.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8234  226.6917  254.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9605  225.9618  255.2787 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0592  226.0282  256.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7258  225.1888  257.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9220  224.3823  257.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9480  224.3208  256.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4331  223.0856  256.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4344  222.2474  256.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5675  220.9313  257.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6388  220.0277  257.4683 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.1890  218.8731  258.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5335  217.7067  258.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2973  216.6695  258.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6857  216.8131  259.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3279  218.0012  258.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5588  219.0282  258.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9555  220.3842  257.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9157  220.2627  256.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5700  221.2314  258.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2320  219.9892  257.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3415  223.1666  257.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8984  222.4022  258.7016 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4155  224.9993  255.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3824  224.8448  254.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0948  226.5612  258.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8691  225.8036  255.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 28 29  2  0  0  0  0
 30 33  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
20.42344345,1.50892467,47.18266863,195.01080703,223.24790443,256.89528825
-2.24826779,-0.19157638,2.68305529

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442755/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64161

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.23125

>  <SCORE.INTRA>
-0.758388

>  <SCORE.INTRA.DIHEDRAL>
-2.39877

>  <SCORE.INTRA.DIHEDRAL.0>
9.5165

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.440999

>  <SCORE.INTRA.VDW.0>
-2.1274

>  <SCORE.INTRA.norm>
-0.0236996

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.20755

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  178.9653  218.1086  256.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1767  218.9335  257.1311 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.8308  218.9900  258.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9349  220.2645  256.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.7645  220.2471  255.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.4182  219.7959  256.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.4104  218.4358  256.7484 N   0  0  0  0  0  0  0  0  0  0  0  0
  175.3211  217.2991  255.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.3481  215.9754  256.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.2264  214.8648  255.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.0884  215.0153  254.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.0694  216.2941  253.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.1850  217.4059  254.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.2382  213.5704  255.9696 O   0  0  0  0  0  0  0  0  0  0  0  0
  175.5559  215.5721  258.0993 S   0  0  0  0  0  0  0  0  0  0  0  0
  175.5614  217.1601  258.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.4526  218.3799  258.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.4022  219.5387  258.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.5726  219.4987  260.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.7178  218.2908  261.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.6868  217.1231  260.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.6232  220.9665  261.2769 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  174.7453  213.5773  256.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
81.70338328,58.76040181,-58.36588553,-78.93657967,38.03648742,176.01686313
217.88610526,257.55262502,-1.80869165,1.11050632,1.05420055

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442756/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.24171

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-4.15829

>  <SCORE.INTRA.DIHEDRAL>
2.36053

>  <SCORE.INTRA.DIHEDRAL.0>
2.58542

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.33855

>  <SCORE.INTRA.VDW.0>
2.53929

>  <SCORE.INTRA.norm>
-0.189013

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.23826

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000504

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  190.1425  212.7480  252.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2612  213.1994  254.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4854  213.3559  254.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4927  214.2670  253.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5888  215.5985  253.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1834  215.5289  255.6963 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8141  216.3525  256.6141 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2719  216.7327  256.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3528  215.2498  255.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8452  213.6959  255.6631 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2791  214.6057  256.7185 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.2870  214.4319  258.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8876  214.0342  258.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1079  214.4902  257.2439 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.6688  213.3376  256.5249 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.1838  213.7599  257.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0055  213.1197  256.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9798  213.5136  254.8556 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.7343  214.9196  254.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6058  211.8834  257.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7000  214.2790  256.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2602  212.0467  255.9572 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.7026  211.3496  257.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6534  210.9570  255.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5549  210.4983  253.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9132  211.5494  252.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9148  212.6399  253.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3132  212.0766  253.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9848  213.7115  252.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6473  215.1263  253.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 18  1  0  0  0  0
  2  3  2  0  0  0  0
  3 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  1  0  0  0
 11 12  1  0  0  0  0
 11 21  1  6  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 30  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
-84.47843864,61.24888959,97.04116484,-64.63397755,72.82071920,67.01121746
193.17675633,213.57178500,255.37271952,2.99579022,-0.04510609,0.96688283

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442757/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.91148

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-1.48852

>  <SCORE.INTRA.DIHEDRAL>
1.41333

>  <SCORE.INTRA.DIHEDRAL.0>
6.08648

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.19519

>  <SCORE.INTRA.VDW.0>
1.20572

>  <SCORE.INTRA.norm>
-0.0513284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.307292

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002048

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  219.5519  202.2376  243.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6734  201.0664  244.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5664  201.2293  245.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7594  200.1378  245.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0448  198.8588  244.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1474  198.7073  243.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9516  199.7987  243.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1798  197.6622  245.2597 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.0187  196.5405  245.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2410  195.3772  245.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6614  195.1871  243.9687 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7218  195.9985  243.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9468  195.8658  242.4105 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1748  196.9970  242.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4208  197.8237  243.4894 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4456  197.1779  244.0851 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0437  194.1795  245.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4706  196.8976  247.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1382  196.1498  247.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0325  198.1199  247.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4569  198.6535  248.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9384  199.0163  248.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6185  199.9083  249.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8042  194.2851  243.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  6  0  0  0
  8 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-123.26480749,179.30911501,-175.94363025,70.38636274,217.06957324,197.96772159
245.39525581,0.06429568,-1.12360748,-0.81819182

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442758/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.52558

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-0.87442

>  <SCORE.INTRA.DIHEDRAL>
-2.15773

>  <SCORE.INTRA.DIHEDRAL.0>
3.54841

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.204445

>  <SCORE.INTRA.VDW.0>
-1.33645

>  <SCORE.INTRA.norm>
-0.0380183

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.370677

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000115

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  201.6520  188.6667  244.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3462  188.7302  243.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0548  189.9891  242.4960 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1424  190.1532  241.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6502  189.9830  241.7964 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2074  188.8021  240.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4287  189.0435  240.2800 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.5858  190.6417  239.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5521  190.6300  238.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9902  190.2492  238.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1779  188.5967  239.2617 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.2600  187.4631  241.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0083  186.5326  241.3627 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3684  187.4208  242.6758 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3384  186.2114  243.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3234  186.2838  244.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6548  190.1569  242.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4933  189.2748  243.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
161.33535334,-55.43558786,175.68458452,-82.72801239,-116.76789668,179.05615688
179.50110763,200.31063370,188.78216115,241.38881823,-1.57971342,-0.43794840
-1.07098608

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442760/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.07965

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-8.32035

>  <SCORE.INTRA.DIHEDRAL>
-5.69243

>  <SCORE.INTRA.DIHEDRAL.0>
10.3391

>  <SCORE.INTRA.POLAR>
-0.781699

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.81636

>  <SCORE.INTRA.VDW.0>
-0.0596971

>  <SCORE.INTRA.norm>
-0.489432

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.181156

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003642

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  204.3499  218.6602  253.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7536  217.1944  253.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0956  216.4929  252.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4782  215.0128  252.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7670  214.4088  251.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0703  212.9187  251.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3560  212.3414  249.8529 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8495  212.8757  248.4720 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1584  212.1893  247.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5684  214.3893  248.4006 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.5299  215.1606  248.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4084  214.7579  248.5752 O   0  5  0  0  0  0  0  0  0  0  0  0
  205.6286  212.6788  248.2390 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.4624  210.9028  249.9176 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4151  210.6620  249.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <CHROM.1>
179.59117916,179.97923784,179.73063766,-179.02533376,67.82065183,176.21461327
-62.53981591,120.78072160,204.11299506,214.12822315,250.08354321,0.38763959
-1.52848638,-0.37075069

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442761/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.4258

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-0.974213

>  <SCORE.INTRA.DIHEDRAL>
-0.0667035

>  <SCORE.INTRA.DIHEDRAL.0>
3.02465

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.940861

>  <SCORE.INTRA.VDW.0>
0.0164515

>  <SCORE.INTRA.norm>
-0.0695866

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.816128

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002837

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  206.4735  189.4697  259.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4645  190.4454  258.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0909  189.7999  257.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0211  190.5298  256.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8383  189.7965  255.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8597  190.4168  255.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0733  191.7887  255.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2226  192.5329  256.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1913  191.9085  256.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1291  192.4737  254.6950 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0463  191.9224  253.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0145  190.7567  253.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0949  192.8592  253.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2982  192.3811  252.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2306  193.2698  252.3618 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0133  194.5880  252.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1950  195.5564  251.4691 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.7756  195.0596  252.3826 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7888  194.3447  253.1724 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.4042  194.6787  252.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9505  194.2311  251.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7297  194.6652  250.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9285  195.5244  251.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3222  195.9317  252.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5503  195.5106  253.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4469  196.0929  250.9316 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.8901  193.1684  250.3822 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.8166  190.9634  252.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1556  193.4655  254.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1478  192.9182  252.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.6503  196.0549  252.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  6  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
179.84559303,165.26657933,3.33832281,153.49553680,-56.77310411,211.95149425
193.11949895,253.48585977,-2.34094370,0.18326986,-0.78851892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442770/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.0366

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-2.3634

>  <SCORE.INTRA.DIHEDRAL>
-4.85297

>  <SCORE.INTRA.DIHEDRAL.0>
8.42303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.063083

>  <SCORE.INTRA.VDW.0>
-1.68433

>  <SCORE.INTRA.norm>
-0.0844073

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.287021

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000012

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  190.6665  214.8763  261.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6375  215.5417  263.0534 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4315  216.0919  263.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4997  217.4115  263.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3075  218.0427  264.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0729  217.4010  264.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0279  216.0628  263.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2101  215.4204  263.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0915  218.3378  264.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7467  219.5416  264.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0856  219.3199  264.6983 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0523  220.6775  265.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7087  220.5872  265.5402 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0794  219.4209  265.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7031  218.2697  264.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7230  221.9659  265.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0531  223.0649  265.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6027  224.4206  266.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7225  225.4525  266.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1573  226.7795  266.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4841  227.0919  266.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3730  226.0778  265.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9353  224.7500  265.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8152  220.0017  264.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-132.26522179,178.79257504,177.07494347,187.29130175,220.22581527,264.83086682
-1.34366752,0.24548743,0.24693194

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442771/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.07966

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-1.32034

>  <SCORE.INTRA.DIHEDRAL>
-0.970654

>  <SCORE.INTRA.DIHEDRAL.0>
3.72917

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.835014

>  <SCORE.INTRA.VDW.0>
1.56803

>  <SCORE.INTRA.norm>
-0.0574061

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.307811

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001277

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  210.7380  200.0976  242.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3481  199.6132  243.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6129  199.5903  244.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2319  200.4837  244.1178 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.9176  200.4934  243.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8657  199.9476  245.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9592  200.6165  246.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4578  200.0853  247.9608 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6981  200.1198  248.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1519  200.8045  248.5213 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0270  200.7883  247.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5372  199.3468  247.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5662  198.9672  249.0078 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.3914  200.1099  249.7117 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.2713  199.7293  250.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8116  198.4599  251.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8955  197.3309  250.5600 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.8807  197.4844  249.3836 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.3655  196.5556  248.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5357  195.2873  248.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0464  195.0183  250.0898 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.7466  195.9014  251.1834 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.1358  195.3330  251.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0393  193.8870  252.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3785  192.9894  250.9875 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0584  193.5203  250.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3341  192.8051  249.9437 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8913  195.9388  252.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6667  195.4525  250.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6140  196.9433  249.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3349  201.1003  250.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9580  192.2020  249.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  8  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  1  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  2  0  0  0  0
 21 20  1  6  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  6  0  0  0
 27 32  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
60.94426073,120.10133452,123.33923874,53.46614678,177.34897587,207.34540191
197.86853775,248.60071031,-1.01246630,-0.91995209,2.73051919

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442772/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.00534

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-1.39466

>  <SCORE.INTRA.DIHEDRAL>
-1.07966

>  <SCORE.INTRA.DIHEDRAL.0>
1.62902

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.85483

>  <SCORE.INTRA.VDW.0>
1.53939

>  <SCORE.INTRA.norm>
-0.044989

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.258237

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001428

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  212.0669  196.6713  246.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2293  196.0193  248.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2814  194.6078  247.9136 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4316  193.8855  249.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3760  194.3656  250.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4572  192.4438  248.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5022  191.9477  247.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5747  190.2572  247.4584 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.5915  190.1390  249.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5688  191.3616  249.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5643  191.4064  251.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7445  192.3516  251.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6504  192.4080  253.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3301  191.4829  254.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1457  190.5343  253.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2945  190.5138  252.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4495  189.3736  251.4702 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.4534  192.6684  246.3102 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6732  192.1252  245.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0323  190.9672  244.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5452  193.1146  243.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4916  194.1789  243.9458 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8082  193.8016  243.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3156  193.2147  242.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6440  192.8056  242.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4945  192.9746  243.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0234  193.5867  244.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6846  194.0222  244.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2709  194.6999  246.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4363  193.8390  247.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4726  194.4322  248.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5842  193.6469  249.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6576  192.2587  249.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6400  191.6556  248.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5340  192.4404  247.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4314  193.6825  246.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
179.76382247,7.99322415,7.99861136,171.40795296,35.59281155,62.33646374,64.88640730
63.90243631,119.80633786,161.39734196,213.75169316,192.55637832,247.98159074
1.14338750,0.96822803,-0.91517952

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442773/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.34307

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.44

>  <SCORE.INTRA>
-16.7431

>  <SCORE.INTRA.DIHEDRAL>
-16.3632

>  <SCORE.INTRA.DIHEDRAL.0>
28.8048

>  <SCORE.INTRA.POLAR>
-0.490895

>  <SCORE.INTRA.POLAR.0>
-0.0406883

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.89244

>  <SCORE.INTRA.VDW.0>
-1.75241

>  <SCORE.INTRA.norm>
-0.478374

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
-0.0383735

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000328

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 53  0  0  0  0  0  0  0  0999 V2000
  196.7644  211.4003  246.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8058  212.2179  247.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9395  212.0753  248.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2132  212.4292  248.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3332  211.8642  248.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1762  211.1290  250.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9009  210.8720  250.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7974  211.3393  249.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6762  210.0497  251.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3865  209.7099  252.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1636  208.9660  253.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2833  208.3933  253.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5607  208.7680  253.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7623  209.5748  252.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1486  207.4846  255.0341 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1188  206.9443  255.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3215  207.1487  255.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6264  206.0334  256.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6390  205.4217  257.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3672  204.3561  258.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5058  203.5946  258.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3859  202.4101  259.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7455  202.6323  260.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4068  203.1096  260.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1568  203.9739  259.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0773  204.6246  258.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3295  205.6415  257.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2361  206.1002  256.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8433  208.9410  253.6561 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5286  209.2215  255.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4505  213.3706  247.1185 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5682  214.3918  246.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4731  214.6576  247.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9305  215.3405  245.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2422  215.1949  245.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9167  216.2818  244.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2970  216.3285  244.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9539  217.5004  244.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5627  217.9842  242.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2170  218.1657  243.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2872  217.3796  244.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8864  217.4949  244.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2432  216.5075  245.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9867  216.7394  245.9053 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2456  207.1590  255.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4234  205.6616  256.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4197  213.4635  246.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7521  216.0449  246.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 47  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 43  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 48  1  0  0  0  0
M  END
>  <CHROM.1>
64.32252677,23.50726934,-174.27701137,-132.46261452,-173.98591272,173.97303046
179.31051585,-6.08317978,8.58899131,198.83944047,210.54978504,251.29294109
1.49559016,0.01577910,-0.85247329

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442774/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.77486

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.281818

>  <SCORE.INTRA>
-14.1749

>  <SCORE.INTRA.DIHEDRAL>
-4.09517

>  <SCORE.INTRA.DIHEDRAL.0>
12.8193

>  <SCORE.INTRA.POLAR>
-1.13999

>  <SCORE.INTRA.POLAR.0>
-0.23098

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.25133

>  <SCORE.INTRA.VDW.0>
10.6724

>  <SCORE.INTRA.norm>
-0.322156

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
-0.0403378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003823

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 43  0  0  0  0  0  0  0  0999 V2000
  209.1657  182.0937  238.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6301  180.9553  237.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8059  180.9685  236.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4679  182.1064  235.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1602  183.2897  236.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9863  183.2756  237.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3028  182.0324  234.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8894  181.7809  233.6109 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0905  182.9716  233.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4850  183.8543  234.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0654  185.1339  234.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9569  185.8462  235.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2248  185.3014  236.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5267  184.1059  236.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6392  183.3885  235.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3681  180.5442  234.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3171  179.5956  233.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9503  180.4390  235.3495 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5021  179.2691  235.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4100  178.1724  235.3724 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1147  179.3258  237.2529 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0364  180.3780  238.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3788  181.5104  237.7745 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5594  180.0886  239.4093 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4429  181.1945  240.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4293  181.2422  241.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8132  181.1949  241.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7511  181.0080  242.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3219  180.8332  243.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9695  180.9558  243.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0432  181.2159  242.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2844  178.7242  239.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2523  178.1120  240.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8191  177.8784  242.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7091  177.4458  243.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0491  177.2546  242.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4935  177.4689  241.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6010  177.8948  240.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9684  181.2365  235.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8361  178.4172  237.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
92.86731759,95.74891532,-79.62818867,-99.45484693,109.15328254,-108.83696248
106.10620771,53.40162182,112.26467497,207.22024404,180.99548366,238.07848743
-0.52601844,1.51584126,0.96467144

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442775/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.49008

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.378947

>  <SCORE.INTRA>
-10.9099

>  <SCORE.INTRA.DIHEDRAL>
-1.63352

>  <SCORE.INTRA.DIHEDRAL.0>
8.6864

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.0932

>  <SCORE.INTRA.VDW.0>
-3.01953

>  <SCORE.INTRA.norm>
-0.287103

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.0918441

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010272

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  198.8316  209.7310  254.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1229  209.6166  253.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1116  208.6404  252.5988 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5216  207.2108  252.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4162  206.2831  253.4869 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9925  206.6888  253.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7778  208.1710  252.7678 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5868  209.0597  254.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8425  208.6234  251.8629 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5019  209.9089  251.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2680  209.8702  250.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1832  210.7197  250.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0394  210.6892  249.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9660  209.8051  248.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0324  208.9548  248.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1758  208.9792  249.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6616  204.9983  252.8393 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9657  203.8738  253.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1378  203.8510  254.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3686  202.6821  252.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0795  201.3296  252.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8531  200.6580  252.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5672  199.4771  253.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5036  198.9410  254.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7261  199.5800  254.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0155  200.7592  253.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7048  202.8359  250.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9112  201.8952  249.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3238  202.0563  248.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5330  203.1701  248.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3454  204.1356  249.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9304  203.9731  250.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7783  202.7355  251.9408 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9569  203.6604  251.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  6  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 20 33  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
170.98684839,174.03135840,121.62125101,-2.43343295,157.28988880,92.29614992
-179.97054998,-47.84290734,198.36220585,205.48217974,251.89203807,-1.95667262
1.08041315,-2.97695465

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442776/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.72262

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-4.67738

>  <SCORE.INTRA.DIHEDRAL>
-9.19607

>  <SCORE.INTRA.DIHEDRAL.0>
13.396

>  <SCORE.INTRA.POLAR>
0.00352272

>  <SCORE.INTRA.POLAR.0>
-0.177702

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0913274

>  <SCORE.INTRA.VDW.0>
-3.75916

>  <SCORE.INTRA.norm>
-0.141739

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.234019

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004067

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  186.3047  226.5790  253.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3774  225.6296  254.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8283  225.4213  255.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7843  224.2565  256.0833 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.2237  224.6750  256.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1511  226.0189  256.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9722  226.6233  257.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4717  225.9908  256.9694 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.5710  224.5932  257.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8383  223.1750  256.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0074  223.0096  256.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7419  222.1665  256.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4307  226.9893  257.2259 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1296  228.0969  257.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3183  228.7209  257.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5639  227.9598  257.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6712  228.4809  257.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3896  226.6362  257.0619 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5796  227.8430  256.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.4716  227.2259  258.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2337  226.1384  256.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 18  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 19  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
-58.59432902,188.65321538,225.85547160,256.57641095,2.44884117,0.25180397
-3.12732273

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442777/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.99996

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-0.400041

>  <SCORE.INTRA.DIHEDRAL>
-0.0147342

>  <SCORE.INTRA.DIHEDRAL.0>
0.287838

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.392674

>  <SCORE.INTRA.VDW.0>
-0.214548

>  <SCORE.INTRA.norm>
-0.0222245

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.333331

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000625

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  203.6369  192.8937  245.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4704  191.8712  245.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7792  191.9038  245.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3244  190.6729  245.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6568  190.5789  246.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4703  191.7179  246.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9205  192.9518  245.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5836  193.0420  245.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8906  191.5872  246.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3450  190.4198  247.0475 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6330  190.3659  247.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3810  189.3173  247.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6332  189.8691  248.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6720  191.1867  248.0874 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4545  191.4980  247.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9806  192.7321  247.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7196  192.8368  246.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8821  193.9047  247.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3708  195.0951  246.8547 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.3229  194.0795  248.5212 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.9965  193.7025  246.4906 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.7731  189.1479  248.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6865  187.9471  249.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8749  189.9507  249.1705 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1097  189.5391  249.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1152  190.4866  249.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3303  190.1015  250.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5560  188.7612  250.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5866  187.8073  250.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3748  188.1954  250.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0383  188.2742  251.6021 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.8768  192.1676  249.6645 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.7311  190.9494  249.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
135.06425695,0.24590425,-1.42975920,-178.57385606,-176.47530959,213.22116297
191.11498303,248.09211616,2.84605312,-0.31974657,-0.21625280

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442778/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.57169

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-0.828311

>  <SCORE.INTRA.DIHEDRAL>
-0.234461

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-0.00450514

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.695763

>  <SCORE.INTRA.VDW.0>
0.694019

>  <SCORE.INTRA.norm>
-0.0258847

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.299115

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000188

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  207.8577  195.7301  249.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7164  194.9364  249.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5074  194.8163  249.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4538  194.0597  249.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5652  193.4490  248.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7827  193.5352  247.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8530  194.2626  247.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3894  192.7729  247.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2506  192.5828  248.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2543  193.0444  249.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3493  192.7457  250.3834 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2846  193.8532  250.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9008  191.9917  247.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7832  192.7477  247.0764 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2208  193.7953  248.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6325  195.2465  247.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1112  195.6316  247.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6659  196.2686  248.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
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  203.7292  196.7321  247.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
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  201.9260  195.5138  246.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7222  192.0027  246.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0585  191.1687  245.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4221  190.0948  244.7336 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1010  189.6395  243.6372 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1343  190.4156  243.3629 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1289  191.3842  244.3038 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3385  192.1936  244.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2908  193.6444  244.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0388  194.3095  244.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8494  195.6136  243.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9079  196.2918  243.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1540  195.6679  242.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3456  194.3664  243.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2224  194.1868  250.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
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M  END
>  <CHROM.1>
-86.47278331,-63.88695801,105.96909582,-61.66812824,-63.30646996,-95.96409100
151.78027870,-88.04899947,29.96312568,202.01885177,193.77800417,246.77259558
-0.30688736,-0.72902349,-1.00541028

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442779/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49383

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411429

>  <SCORE.INTRA>
-7.90617

>  <SCORE.INTRA.DIHEDRAL>
0.576868

>  <SCORE.INTRA.DIHEDRAL.0>
6.93362

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.1946

>  <SCORE.INTRA.VDW.0>
-3.12541

>  <SCORE.INTRA.norm>
-0.225891

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.185538

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000162

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  206.9576  196.0949  243.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1220  196.4151  244.9727 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8095  196.7955  246.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1788  196.6817  247.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8647  196.9913  248.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1795  197.4341  248.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8146  197.6060  247.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1273  197.3046  246.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8542  197.7102  249.7023 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2861  196.8617  249.8323 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7668  196.2677  244.9745 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1739  197.1474  245.6019 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2101  197.5240  250.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3769  196.5364  249.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-158.35850959,-143.05257665,-0.02089808,-0.13353684,206.79932224,196.93979679
246.96534141,-2.05798702,0.14074331,1.44472504

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442780/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.05919

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.340812

>  <SCORE.INTRA.DIHEDRAL>
1.94325

>  <SCORE.INTRA.DIHEDRAL.0>
2.08609

>  <SCORE.INTRA.POLAR>
-0.000237592

>  <SCORE.INTRA.POLAR.0>
-0.345448

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.31163

>  <SCORE.INTRA.VDW.0>
3.85223

>  <SCORE.INTRA.norm>
-0.028401

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.588266

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023928

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  189.3741  217.3822  250.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8362  217.2647  250.1926 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3750  215.9246  250.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9413  215.2859  251.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3295  215.3598  251.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9250  214.7844  252.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1405  214.1192  253.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7622  214.0341  253.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1654  214.6131  252.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5885  218.4420  250.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0380  219.5327  250.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1389  218.3514  250.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8184  218.9718  251.6460 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.8738  218.2350  252.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5659  218.0637  252.8335 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2306  217.1910  253.8938 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3358  216.9487  254.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2668  216.2535  255.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2594  216.5972  256.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1921  215.8699  258.0195 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0948  215.0168  257.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7014  214.0708  258.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5587  213.3268  258.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8537  213.5257  257.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2858  214.4646  256.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4099  215.2404  256.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4231  217.6445  254.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8211  217.6140  254.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6995  218.6747  254.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0839  218.5714  254.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6201  217.4295  254.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7735  216.3889  255.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4031  216.4736  255.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3702  217.4047  254.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 27  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-104.32656052,-97.10491338,-108.98218295,46.54000388,-38.82884758,36.55507848
192.73461834,216.55653076,253.76890329,1.55928956,-0.44845055,-1.12336218

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442781/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.92128

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-5.47872

>  <SCORE.INTRA.DIHEDRAL>
0.307019

>  <SCORE.INTRA.DIHEDRAL.0>
9.05156

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.63223

>  <SCORE.INTRA.VDW.0>
-2.72094

>  <SCORE.INTRA.norm>
-0.166022

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.179433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000130

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  188.1322  225.6033  256.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1533  224.9954  257.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9988  223.6433  256.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6536  222.9709  258.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4200  221.5926  258.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5521  220.8725  256.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9308  221.5355  255.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1215  222.9229  255.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3206  219.4838  256.9041 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3076  218.5512  257.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3349  217.8768  258.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3565  218.3899  256.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7069  218.8661  256.4869 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9549  220.2722  256.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4792  220.9750  255.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7092  222.3495  255.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4249  223.0251  256.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9190  222.3233  257.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6922  220.9536  257.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1861  220.2931  258.8845 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.7437  217.7848  257.2613 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.6358  218.0124  258.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5557  216.4577  256.7101 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3634  218.3422  256.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3617  219.1806  257.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
147.02389114,-85.43656747,106.46702779,112.65389435,-70.26995630,-95.35298381
-95.96249329,188.86953659,220.52996594,257.09547833,-2.01817512,-0.13647741
3.01147263

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442783/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.65616

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-4.74384

>  <SCORE.INTRA.DIHEDRAL>
1.05164

>  <SCORE.INTRA.DIHEDRAL.0>
4.49446

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.26967

>  <SCORE.INTRA.VDW.0>
-1.44949

>  <SCORE.INTRA.norm>
-0.19766

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.319007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000379

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  242.2463  175.5541  244.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  241.0661  176.4175  244.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  240.4019  176.3579  243.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  240.8917  175.3800  242.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
  240.2879  175.1992  240.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
  240.7793  174.2689  240.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
  241.8869  173.4955  240.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
  242.5018  173.6570  241.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
  242.0097  174.5913  242.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  242.7073  174.6598  243.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
  238.9106  177.4294  242.8184 Br  0  0  0  0  0  0  0  0  0  0  0  0
  240.6871  177.3523  245.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
  241.3024  177.3954  246.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
0.12955147,240.59008270,176.06410877,242.98981210,2.10645101,-0.64880199
1.06703161

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442784/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-1.4936e-05

>  <SCORE.INTRA.DIHEDRAL>
-6.06759e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.000101188

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.5402e-05

>  <SCORE.INTRA.VDW.0>
0.448907

>  <SCORE.INTRA.norm>
-1.14892e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.492307

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000838

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  221.5267  183.4471  239.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9457  183.4416  240.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0420  182.1581  241.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6137  181.8484  241.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1816  180.7876  242.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0676  179.7810  242.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4317  180.0425  242.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2698  179.0777  243.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7489  177.8467  243.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3907  177.5797  243.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5522  178.5423  243.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6928  182.8731  240.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
16.94618012,222.37056216,180.67648771,242.03433244,1.77760170,-0.07795538
-0.56884330

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442785/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.696

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-3.704

>  <SCORE.INTRA.DIHEDRAL>
-11.712

>  <SCORE.INTRA.DIHEDRAL.0>
12.7999

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.15203

>  <SCORE.INTRA.VDW.0>
-0.780288

>  <SCORE.INTRA.norm>
-0.308666

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.224667

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025186

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  215.9563  189.0168  242.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2569  189.0793  241.5211 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7489  187.7254  241.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2678  187.1278  239.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7144  188.1644  238.4713 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.7464  187.5582  237.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7605  188.2327  236.8168 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3879  186.3834  236.6607 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1797  190.0925  241.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0627  191.0009  240.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5713  191.9883  240.0304 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.3452  191.0015  238.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0635  191.1385  237.5965 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1991  190.0627  239.2925 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7973  189.1011  237.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7791  186.2219  235.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5082  185.6060  237.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3592  191.8790  237.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1341  190.4088  239.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.8043  189.5318  240.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <CHROM.1>
-120.89693469,136.73437359,-62.91993404,165.47950470,-104.40524752,158.50901957
-61.08674103,97.71844767,85.83366692,-84.03980281,215.47617550,189.30816985
239.41163225,1.82152390,1.29012498,0.57984442

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442794/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.27466

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.1

>  <SCORE.INTRA>
-11.1253

>  <SCORE.INTRA.DIHEDRAL>
7.65261

>  <SCORE.INTRA.DIHEDRAL.0>
7.38662

>  <SCORE.INTRA.POLAR>
-2.88979

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.12636

>  <SCORE.INTRA.VDW.0>
-0.225165

>  <SCORE.INTRA.norm>
-0.794667

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.305333

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003145

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  203.0178  200.4037  246.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0386  199.3015  246.6908 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.0098  198.9764  247.8819 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8617  197.7505  247.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9996  198.3325  246.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1362  199.8562  247.0514 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.1533  200.0166  248.2049 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6813  201.4319  248.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8091  202.5183  247.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2993  203.5813  247.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6505  202.3837  246.0581 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.9816  200.7850  245.8101 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.2113  200.3394  244.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2041  201.4149  244.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4268  202.7051  244.5192 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8460  203.3099  246.0061 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0692  204.8873  246.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5316  205.4180  244.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8451  204.2289  243.8972 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.1678  203.5993  243.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9924  203.0501  244.7719 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8740  203.3147  247.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9212  199.6019  249.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1678  198.1399  246.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1393  198.0524  244.8835 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6109  197.4246  247.0162 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 24  1  0  0  0  0
  3  2  1  6  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  1  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  1  26  -1
M  END
>  <CHROM.1>
173.71997538,96.77629116,206.17965690,201.17148029,246.31038713,2.12822845
0.23018551,2.65244471

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442795/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.14377

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.25623

>  <SCORE.INTRA.DIHEDRAL>
0.123821

>  <SCORE.INTRA.DIHEDRAL.0>
1.19787

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.31814

>  <SCORE.INTRA.VDW.0>
-0.506056

>  <SCORE.INTRA.norm>
-0.00985499

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.27476

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005694

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  205.2635  196.9100  246.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4984  196.2399  246.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8798  195.2993  247.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6452  194.2573  247.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0917  193.2299  247.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7768  193.2172  249.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0015  194.2754  249.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5610  195.3031  248.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6076  194.2181  251.0556 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2873  193.7268  251.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1947  192.2865  250.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4714  191.2426  251.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4109  189.9136  251.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0674  189.6136  250.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7850  190.6412  249.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8524  191.9698  249.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2452  192.0678  250.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4934  192.1507  251.2537 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3182  190.9287  249.3297 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7339  189.7896  250.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8708  192.2455  247.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9120  191.4799  247.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
149.62616453,-164.42031059,151.13312541,-97.30162288,63.73858423,91.28317718
-178.79809429,206.76728725,192.84504713,249.34729497,1.54176809,0.52317994
-0.56273238

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442796/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56942

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-4.83058

>  <SCORE.INTRA.DIHEDRAL>
3.73475

>  <SCORE.INTRA.DIHEDRAL.0>
6.61871

>  <SCORE.INTRA.POLAR>
-0.829912

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00453621

>  <SCORE.INTRA.REPUL.0>
0.00453621

>  <SCORE.INTRA.VDW>
-3.85357

>  <SCORE.INTRA.VDW.0>
3.85046

>  <SCORE.INTRA.norm>
-0.230027

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.31283

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001469

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  193.3574  228.1626  262.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8090  229.3764  263.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2416  230.2467  262.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2040  229.9399  260.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7635  228.7087  260.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3382  227.8203  261.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7182  228.4108  259.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1388  229.3253  258.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6035  230.5211  258.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6482  230.8057  260.0247 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2494  228.7525  257.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8757  227.5337  257.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1697  227.3090  258.4305 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1333  226.6692  255.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9629  227.2927  255.0860 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.7312  225.4967  256.2968 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.9991  226.3724  255.2878 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.9277  229.1482  256.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
62.14310160,192.73653969,228.25402176,258.69900085,-1.74882710,1.09139159
-1.84604335

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442797/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.26389

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-0.000335734

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.135942

>  <SCORE.INTRA.VDW.0>
-0.645002

>  <SCORE.INTRA.norm>
-0.00800644

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.368464

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000852

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  224.7388  184.7832  244.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6881  184.0737  245.6384 C   0  0  2  0  0  0  0  0  0  0  0  0
  226.9701  184.8947  245.5051 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.9868  185.3922  244.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.6545  185.2759  243.5896 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.2481  186.5342  242.9854 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0472  186.7352  242.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9623  187.9302  241.7862 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1686  188.5304  242.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9582  187.6805  242.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1963  188.0205  243.1864 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.6155  189.2837  242.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9491  190.1656  242.1618 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6700  189.8596  241.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0181  190.6415  241.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.8687  189.5797  243.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.0446  186.0948  246.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9688  187.0567  245.9733 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.5920  186.4724  245.8445 P   0  0  0  0  0  0  0  0  0  0  0  0
  229.6405  186.7675  244.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.1581  187.8327  246.5354 O   0  0  0  0  0  0  0  0  0  0  0  0
  231.2152  185.8879  245.7158 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.8518  182.7360  245.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.7044  187.5142  243.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
  229.3816  188.7612  243.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
  229.3867  190.0293  242.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
  230.1687  187.7090  247.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
  231.5323  185.8962  246.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.4608  182.2492  245.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  6  0  0  0
  3  4  1  0  0  0  0
  3 17  1  1  0  0  0
  4  5  1  0  0  0  0
  5  1  1  1  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 19 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <CHROM.1>
-179.94027615,-158.85652724,-60.98248579,13.93771376,-61.41806831,120.96616499
88.50576878,-26.69068258,227.09204507,186.98636466,244.07967648,0.89184246
0.45459912,2.59847415

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442798/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.6564

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-12.0564

>  <SCORE.INTRA.DIHEDRAL>
-2.75989

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.41746

>  <SCORE.INTRA.VDW.0>
-1.05133

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.0720172

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001803

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 50 52  0  0  0  0  0  0  0  0999 V2000
  214.9518  175.7505  241.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2515  177.0885  241.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8836  178.1624  240.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1703  179.5049  240.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8228  180.5832  239.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1141  181.9283  240.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7696  183.0176  239.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0445  184.3585  239.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7060  185.4575  238.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0351  186.7953  238.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4447  187.4823  237.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8122  188.7730  237.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1649  189.4421  236.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5462  190.7619  237.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5711  191.2819  238.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9442  191.3556  236.1011 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2855  192.6519  236.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2809  193.7875  236.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5678  194.6267  235.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7868  193.8231  237.8104 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7515  194.8646  238.2755 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0549  194.7476  239.7838 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.8402  193.4614  240.0825 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.1471  193.3945  239.2467 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.9039  193.6594  237.8607 O   0  0  0  0  0  0  0  0  0  0  0  0
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  214.9201  196.0963  237.5225 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.1748  197.2688  236.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7217  196.8821  235.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2494  196.4379  238.8710 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2032  194.2296  239.8299 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4299  193.6694  240.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5535  193.9427  239.4709 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7352  193.4375  239.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9651  192.6411  240.9456 N   0  0  0  0  0  0  0  0  0  0  0  0
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  216.7441  192.2360  242.1639 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4932  191.4525  242.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7691  191.5039  242.6957 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0951  193.3214  241.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8748  194.8216  240.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9281  190.9121  235.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.5738  193.0490  238.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0508  196.1858  235.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7888  197.2541  238.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2726  195.1896  239.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7393  192.3221  242.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5021  194.1495  241.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.4382  195.6730  240.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
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 24 31  1  1  0  0  0
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 31 32  1  0  0  0  0
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 37 38  1  0  0  0  0
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 39 40  2  0  0  0  0
 41 49  1  0  0  0  0
 42 50  1  0  0  0  0
M  END
>  <CHROM.1>
179.29163596,178.91654142,-179.64598607,179.37638652,179.35239188,179.34957277
-177.82447822,-118.85606186,-176.80901447,-1.38461070,67.38785308,107.70936907
174.90780139,-59.03405197,-52.05724206,123.64769122,-62.02916404,-51.54648345
178.53811619,65.99563368,109.45264935,214.50174427,190.39829291,239.13903470
-1.56102227,-0.59705430,-0.11830266

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442799/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.14741

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-14.2526

>  <SCORE.INTRA.DIHEDRAL>
-2.88598

>  <SCORE.INTRA.DIHEDRAL.0>
10.0705

>  <SCORE.INTRA.POLAR>
-3.25207

>  <SCORE.INTRA.POLAR.0>
-0.0432433

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.75257

>  <SCORE.INTRA.VDW.0>
-4.39447

>  <SCORE.INTRA.norm>
-0.339347

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.193986

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004403

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  191.5049  214.7637  256.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1196  213.4772  257.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9066  212.6183  257.3665 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.9690  213.6020  257.9495 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1998  214.8845  257.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1924  211.4519  258.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9387  210.1344  257.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1700  209.0490  258.6842 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6643  209.2808  259.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9222  210.5447  260.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6706  211.6407  259.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2171  213.7209  258.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  1  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-120.48110665,191.19158301,212.00634960,258.24284473,2.23703664,-1.38816890
0.18702119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442800/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.80225

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.597754

>  <SCORE.INTRA.DIHEDRAL>
-0.0571855

>  <SCORE.INTRA.DIHEDRAL.0>
0.774417

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.569161

>  <SCORE.INTRA.VDW.0>
0.0560261

>  <SCORE.INTRA.norm>
-0.0543413

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.527477

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003885

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  215.5732  190.2095  251.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8129  191.1584  250.9838 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.5003  191.6959  250.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9167  190.4028  250.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0088  192.2175  251.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8437  193.4471  252.2022 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4291  194.2208  250.9842 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2654  195.4766  251.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6924  196.7337  250.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4079  197.9222  251.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7156  197.8837  251.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2922  196.6601  251.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5766  195.4716  251.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2679  193.2854  250.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9844  194.3002  252.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5847  195.3173  253.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8159  195.2175  254.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3786  196.3393  254.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7170  197.5637  254.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4940  197.6703  254.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9323  196.5512  253.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6059  193.7602  249.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
81.93368979,62.67473563,179.12400111,168.70333995,-106.59679658,177.69407926
-38.28775598,215.55898013,194.76684227,252.20535491,1.90758000,-0.84488567
-2.53731659

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442801/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.89744

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-8.50256

>  <SCORE.INTRA.DIHEDRAL>
-7.68606

>  <SCORE.INTRA.DIHEDRAL.0>
12.6303

>  <SCORE.INTRA.POLAR>
-0.419806

>  <SCORE.INTRA.POLAR.0>
-0.88925

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.23219

>  <SCORE.INTRA.VDW.0>
-0.923045

>  <SCORE.INTRA.norm>
-0.425128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.144872

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002465

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 24  0  0  0  0  0  0  0  0999 V2000
  199.3136  193.1224  247.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0262  194.3317  247.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7691  195.5657  247.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4643  196.8078  247.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2107  198.0346  247.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4075  198.3770  248.7053 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5252  198.9943  247.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2894  200.4833  247.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1872  201.1785  249.0439 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0188  200.6332  249.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0850  199.0937  249.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4559  201.4640  249.8180 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.1241  202.4476  250.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4029  202.8027  251.7822 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.4275  203.4809  250.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7912  202.5179  249.7039 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.5239  202.1661  248.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4034  201.2232  250.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3934  200.5582  251.2307 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0301  201.5224  252.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1113  200.1959  250.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  9  1  6  0  0  0
 12 17  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 20  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-179.58547897,-179.96147120,62.57074685,72.94450469,168.25023175,200.91811078
199.70422409,249.36997454,-2.13334436,-0.43793634,0.17929047

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442810/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48996

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-1.91004

>  <SCORE.INTRA.DIHEDRAL>
-0.805009

>  <SCORE.INTRA.DIHEDRAL.0>
1.54628

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.50753

>  <SCORE.INTRA.VDW.0>
1.96971

>  <SCORE.INTRA.norm>
-0.0909541

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.404284

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000379

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  212.0308  188.6619  248.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0318  187.5641  248.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6459  187.5592  248.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2153  186.2063  248.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9652  185.5511  248.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9022  184.1764  248.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0591  183.4507  248.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3075  184.0729  248.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3513  185.4437  248.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4311  186.2878  248.4637 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8069  188.7147  247.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5324  188.5258  247.6883 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7271  189.5744  247.3874 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3545  189.4131  247.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5940  190.3324  247.0579 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8358  188.0675  247.7570 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8230  187.7193  249.2298 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5223  187.8780  248.4816 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.7272  186.6187  248.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6025  185.7799  249.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8031  185.8934  250.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0733  186.3423  249.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3870  186.0021  248.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1035  190.4841  247.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 16 14  1  1  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-178.65272619,-177.69845313,75.73621246,207.19669344,187.04193144,248.38369467
-0.15008426,0.10113379,-0.32989041

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442811/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.11369

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.28631

>  <SCORE.INTRA.DIHEDRAL>
-0.551099

>  <SCORE.INTRA.DIHEDRAL.0>
2.37324

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.01076

>  <SCORE.INTRA.VDW.0>
-1.09253

>  <SCORE.INTRA.norm>
-0.0584688

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.323349

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 27  0  0  0  0  0  0  0  0999 V2000
  203.6841  200.9904  255.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7378  202.0075  256.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0884  201.4729  257.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1321  202.4875  258.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0351  202.8209  257.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1880  203.7443  257.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3246  204.2830  258.7719 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1129  204.1266  256.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6705  204.8566  255.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5327  205.2500  254.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0027  206.0015  253.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1627  205.5061  252.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3398  207.2742  253.6109 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9044  208.0374  252.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2831  209.4403  252.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8864  210.2414  251.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2766  211.6430  252.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4362  206.1211  255.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6265  206.2950  255.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5952  206.9784  256.6000 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2194  208.1685  257.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2585  209.0868  257.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6944  208.3946  259.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7278  209.2897  259.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6110  204.0121  254.7153 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1188  202.8252  254.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9750  202.4236  254.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1296  202.0222  253.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.60592790,61.89327876,-178.69432002,0.86743596,-65.53965236,-179.22354369
178.59150741,115.99370214,59.09329632,100.09683353,175.05659977,-179.14883924
179.89670677,-179.65575389,179.59885576,-179.28624862,62.40044396,-179.86279070
-1.03994686,199.39307013,205.56582743,255.53660363,-0.64451587,1.20900000
-1.15416505

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442812/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.8183

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.871429

>  <SCORE.INTRA>
-22.5817

>  <SCORE.INTRA.DIHEDRAL>
-46.0061

>  <SCORE.INTRA.DIHEDRAL.0>
49.0094

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.421362

>  <SCORE.INTRA.VDW.0>
-2.31538

>  <SCORE.INTRA.norm>
-0.806489

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0649394

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.071625

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  199.5864  227.6720  250.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5685  227.3373  251.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5835  227.0387  252.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3152  227.4060  252.0552 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0943  227.1146  253.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5258  225.7132  253.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5128  224.6433  253.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9583  223.2432  253.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8726  222.3375  252.9531 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.5132  227.5780  251.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-101.15811349,63.20778633,-179.79267421,179.80362219,198.79453393,225.72542846
252.48307880,-1.25913239,-0.79945722,2.96192356

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442813/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.05825

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-0.341755

>  <SCORE.INTRA.DIHEDRAL>
0.0696514

>  <SCORE.INTRA.DIHEDRAL.0>
1.0333

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.37658

>  <SCORE.INTRA.VDW.0>
-0.485188

>  <SCORE.INTRA.norm>
-0.0379727

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.00647

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  226.6813  187.5823  251.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4689  187.7110  252.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3607  187.2350  253.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4621  186.6380  253.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6837  186.5609  253.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8317  187.0404  251.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1356  186.9237  251.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5443  187.9989  250.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.7565  187.9892  249.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.6395  186.9141  249.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.2691  185.8256  250.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0112  185.8130  251.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5233  184.3566  252.1685 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  232.3751  184.4891  250.8798 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  233.1638  186.9333  249.0390 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  231.0896  189.3492  248.7244 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  226.3560  185.9676  255.5689 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.1757  187.3437  254.0427 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5186  187.7797  253.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-0.40645418,41.29102676,229.30035890,186.62775131,251.56199986,2.74492365
-0.50387815,2.49203697

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442814/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31077

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-0.0892273

>  <SCORE.INTRA.DIHEDRAL>
-0.109299

>  <SCORE.INTRA.DIHEDRAL.0>
2.08416

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0345778

>  <SCORE.INTRA.VDW.0>
-0.140817

>  <SCORE.INTRA.norm>
-0.00495707

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.350598

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003443

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  206.7270  210.3124  258.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3928  211.2709  259.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0010  212.5372  259.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9101  212.8172  257.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1814  211.8530  256.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6370  210.6083  257.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1103  212.1088  255.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3076  213.4077  255.1633 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3185  213.7136  253.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2135  212.7093  252.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3073  213.0633  251.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4481  214.3979  251.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4910  215.3841  252.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4381  215.0396  253.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6075  217.0370  251.6607 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.0128  211.4231  253.1996 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9286  211.1246  254.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5652  209.8021  254.7466 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5561  214.1849  257.6172 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.3348  215.0765  257.9848 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4570  214.3663  257.0727 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.8677  209.6648  255.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4223  209.2931  254.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <CHROM.1>
25.85654970,40.08325038,206.15279346,213.27256768,255.14321305,-2.69145236
1.51830571,0.07272199

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442815/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.97582

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-0.424182

>  <SCORE.INTRA.DIHEDRAL>
-1.08196

>  <SCORE.INTRA.DIHEDRAL.0>
2.48829

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.116796

>  <SCORE.INTRA.VDW.0>
-1.45434

>  <SCORE.INTRA.norm>
-0.0201991

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.332182

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000109

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  201.4666  190.2893  242.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3812  190.9692  243.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5332  190.6051  244.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8059  189.5353  244.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8650  188.8888  244.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6965  189.2513  242.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7424  188.5158  242.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3881  188.6129  240.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8510  189.4454  239.8799 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3295  187.5828  240.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7769  186.3078  240.4599 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.1713  187.6987  240.9467 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.0086  187.6547  238.9266 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.4824  191.2747  245.0779 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2921  191.5190  246.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0631  191.5681  247.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1076  191.8077  248.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2370  192.2883  249.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4720  192.1636  248.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4922  191.7159  247.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8815  192.6032  250.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4975  193.4368  251.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7712  191.8424  250.7014 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2723  191.2909  249.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4554  190.4027  249.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3847  191.5415  252.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0359  192.1058  253.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5841  191.8486  254.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4961  191.0138  254.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8394  190.4383  253.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2754  190.7150  252.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0265  190.7153  255.8774 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2689  187.7792  242.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5565  191.1693  256.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
146.81279552,2.03449790,-59.26599415,-22.99098750,6.19292385,0.36146160,201.10289272
190.36329923,246.74043644,-1.78912855,0.57781588,1.41591606

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442816/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.68921

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-2.71079

>  <SCORE.INTRA.DIHEDRAL>
-3.604

>  <SCORE.INTRA.DIHEDRAL.0>
6.84535

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.908788

>  <SCORE.INTRA.VDW.0>
0.301055

>  <SCORE.INTRA.norm>
-0.0847122

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.240288

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017189

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  213.2590  191.7112  251.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3870  190.7075  250.0098 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.6249  189.2756  250.5257 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.1439  189.0698  251.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8601  189.8762  252.3526 P   0  0  1  0  0  0  0  0  0  0  0  0
  211.3567  189.5557  253.7165 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2257  191.4115  252.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7726  189.5572  251.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9983  188.2255  249.5744 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5695  186.9235  250.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1479  185.7331  249.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5025  184.5177  250.2007 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0309  184.6391  250.1666 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.6142  185.7148  251.1946 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.4006  186.9474  250.9908 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1646  185.9786  250.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6519  187.0960  250.8625 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4251  184.8557  250.6228 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9634  183.6295  250.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2316  183.4161  250.2470 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0548  182.6381  250.1934 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8032  188.7881  248.9894 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4712  191.0950  249.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9330  189.9992  251.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8376  183.7347  249.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9105  187.8230  251.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4365  185.0174  250.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.8905  182.1494  251.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.3075  181.9449  249.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2211  189.0337  249.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5138  190.4703  248.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  6  0  0  0
  3  4  1  0  0  0  0
  3  9  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  1  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 20  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
M  END
>  <CHROM.1>
-177.48729652,-151.82318693,178.69558110,-115.43644818,-57.57659940,-93.99553231
211.47436306,187.65812397,250.81395354,0.99213447,0.54065796,0.43234546

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442818/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.329134

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-8.07087

>  <SCORE.INTRA.DIHEDRAL>
-2.88087

>  <SCORE.INTRA.DIHEDRAL.0>
6.00833

>  <SCORE.INTRA.POLAR>
-2

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00249558

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.157092

>  <SCORE.INTRA.VDW.0>
-1.86358

>  <SCORE.INTRA.norm>
-0.350907

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0143102

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  203.3426  206.8958  247.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6806  208.0472  247.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2471  208.5875  248.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6074  209.6385  249.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4689  210.1847  249.0876 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9428  209.6653  247.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5014  208.6072  247.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1597  210.2050  250.6876 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7193  209.8509  251.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0561  211.2107  250.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-99.54442733,202.39051568,208.99374021,248.56914329,-1.50155270,-0.56178018
0.86248561

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442819/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30632

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.0936759

>  <SCORE.INTRA.DIHEDRAL>
-0.0267167

>  <SCORE.INTRA.DIHEDRAL.0>
0.487372

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0803176

>  <SCORE.INTRA.VDW.0>
-0.130168

>  <SCORE.INTRA.norm>
-0.0117095

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.788291

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000479

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  200.1724  199.6663  248.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8695  200.2822  248.6640 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7132  200.3039  247.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3882  201.0422  248.0680 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.6799  200.2709  249.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6580  202.4834  248.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4827  201.1167  246.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4832  199.4587  249.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1916  199.6776  250.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0469  200.5190  251.1015 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7116  198.7672  252.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
-174.76178966,76.85173457,-69.24076852,3.15963383,197.93740431,200.33048481
249.17286374,-0.78993835,0.21433629,-1.30260484

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442820/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.99323

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-0.406766

>  <SCORE.INTRA.DIHEDRAL>
-0.433965

>  <SCORE.INTRA.DIHEDRAL.0>
2.04583

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.189784

>  <SCORE.INTRA.VDW.0>
0.798165

>  <SCORE.INTRA.norm>
-0.0369787

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.817567

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.132827

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  198.5743  215.8831  255.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8860  216.7123  254.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7440  216.2246  252.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3088  214.9147  252.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0001  214.0938  253.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1312  214.5675  254.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7583  213.6842  256.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0453  213.8968  256.4440 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.0415  217.0994  251.5554 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.4056  218.2595  251.7952 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9099  216.6263  250.4169 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
>  <CHROM.1>
88.55445022,198.07279998,215.46862991,253.83441072,-2.61020551,-1.09796573
-1.95680201

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442821/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39972

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.000278097

>  <SCORE.INTRA.DIHEDRAL>
4.08156e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.756024

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000298505

>  <SCORE.INTRA.VDW.0>
-0.518792

>  <SCORE.INTRA.norm>
-2.52815e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581793

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000797

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  199.9563  206.0505  252.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5820  206.9753  250.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7443  206.5907  249.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4732  207.5267  248.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9419  208.8371  248.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6728  209.2357  250.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0407  208.3033  250.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0412  210.5475  250.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4480  210.7401  250.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2721  210.1213  249.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2829  209.1999  249.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1650  208.7508  248.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0430  209.2122  247.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0212  210.0955  246.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1362  210.5436  247.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1463  205.2324  249.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0234  204.2231  249.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6986  203.4633  248.7278 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.0313  202.1490  249.2912 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9888  201.8058  250.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6133  200.7137  250.5154 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4523  203.1233  250.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8005  203.2421  251.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3675  201.9858  249.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6577  202.7667  251.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8450  202.2777  252.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1290  202.9686  253.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8715  204.1702  248.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4899  205.2594  248.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4958  205.9850  248.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8910  205.6135  246.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3229  204.5242  246.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3105  203.8121  246.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8389  206.3219  246.1466 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.1749  205.1523  248.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0723  204.2021  248.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  1  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
-51.95773195,-127.10081636,59.59015074,-125.45356361,160.86688904,16.22950464
67.31599505,66.68889645,178.38450240,200.68071074,205.86199008,249.40717364
2.07510222,-0.74819596,-3.09209262

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442822/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.41304

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.382857

>  <SCORE.INTRA>
-15.813

>  <SCORE.INTRA.DIHEDRAL>
-27.8463

>  <SCORE.INTRA.DIHEDRAL.0>
39.7419

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.8899

>  <SCORE.INTRA.VDW.0>
-3.4165

>  <SCORE.INTRA.norm>
-0.451801

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
-0.0689439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003590

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 48  0  0  0  0  0  0  0  0999 V2000
  200.8901  202.6916  242.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4765  202.3897  244.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3170  203.2908  244.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9874  200.9274  244.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6133  202.4821  244.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2524  203.6723  245.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9408  204.7114  244.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3239  203.5705  245.9688 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1457  204.7385  246.3020 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6140  205.4283  247.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1670  206.8448  247.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9666  207.7564  246.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8954  208.2390  246.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1553  207.9368  245.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0961  208.5994  244.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3401  207.7648  243.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1353  208.2339  243.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3838  207.4332  242.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8305  206.1559  241.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0369  205.6858  242.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7904  206.4863  243.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6521  204.3984  246.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0431  203.2472  246.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5553  205.4033  246.1464 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8960  205.4124  246.7657 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9665  205.9928  245.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7377  207.3369  245.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8567  206.2519  248.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4325  205.8957  249.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1544  207.4339  247.9920 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9832  208.3085  249.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7522  209.7385  248.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5905  210.6309  248.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4612  209.8303  248.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9910  211.0137  247.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6132  211.0324  247.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0450  212.0833  246.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8647  213.1216  246.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2423  213.1097  246.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8058  212.0563  247.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2785  214.2338  245.3834 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.0564  214.2092  245.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0395  215.1310  244.9946 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.4876  202.6689  246.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1918  206.2979  245.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.8768  207.3843  244.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7199  207.7388  247.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  1  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  6  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 47  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  2  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
M  CHG  2  41   1  43  -1
M  END
>  <CHROM.1>
61.63016129,2.67209549,92.04205784,-165.36357876,-21.78213416,53.87616565
73.79779818,170.34111610,-65.08894877,116.07005703,151.69439758,144.89315335
60.13051275,138.29163958,-59.71652297,154.67577844,-104.58130632,-174.93516402
-169.03132552,204.43554426,207.43848037,245.87498773,1.92576104,0.56685213
-3.09443170

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442823/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.544186

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
-0.372177

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.049

>  <SCORE.INTRA.VDW.0>
-0.666645

>  <SCORE.INTRA.norm>
-0.635272

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
-0.0910855

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002664

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  195.6895  203.0529  258.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6620  203.1209  257.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6279  204.1156  256.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5794  205.0482  256.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5945  204.9795  257.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6453  203.9792  258.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6625  205.9653  257.3760 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0185  206.6322  256.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2242  206.1482  255.7895 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9409  206.7888  254.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4555  206.8074  254.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1570  206.3068  253.8568 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0347  207.4021  255.8427 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2487  208.0633  256.7200 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7921  208.6887  257.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8980  209.3944  258.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1779  210.1395  259.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9434  210.5995  260.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9684  210.1228  259.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5538  209.3798  258.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5170  210.2727  259.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8291  211.0497  260.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4334  211.1552  260.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7151  210.4863  259.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3782  209.7203  258.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7706  209.6167  258.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9997  210.6008  259.1871 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.1776  207.7499  255.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8588  207.6706  255.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4931  208.9229  255.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5914  209.7628  254.9442 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6300  209.0429  255.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9012  209.4857  255.4066 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0491  207.4191  255.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4847  209.2558  256.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3976  209.6638  254.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <CHROM.1>
-48.04714713,-33.97334049,121.13167170,-175.85726752,179.75904351,1.58367851
-42.21089072,194.34156551,208.07962031,257.33351803,0.77182202,0.08906760
-2.54682748

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442824/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.99631

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-5.40369

>  <SCORE.INTRA.DIHEDRAL>
6.14993

>  <SCORE.INTRA.DIHEDRAL.0>
4.34552

>  <SCORE.INTRA.POLAR>
-1.30637

>  <SCORE.INTRA.POLAR.0>
-0.343409

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.03699

>  <SCORE.INTRA.VDW.0>
-2.67428

>  <SCORE.INTRA.norm>
-0.163748

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.212009

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000281

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  214.2821  195.9988  240.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2036  194.7194  240.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3710  194.0507  239.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6137  194.6897  240.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6937  195.9940  240.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5250  196.6181  240.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9415  196.5736  240.7582 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2360  192.6831  239.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1602  192.1201  239.2061 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4067  192.1033  238.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5848  195.9784  241.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3802  196.9811  239.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.3332  191.1986  238.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-1.54667888,-46.78447608,178.83769718,215.68834041,194.47391125,240.03020696
1.24606138,0.08339189,0.39453366

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442825/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.83101

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-2.56899

>  <SCORE.INTRA.DIHEDRAL>
-4.41862

>  <SCORE.INTRA.DIHEDRAL.0>
4.82988

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.359685

>  <SCORE.INTRA.VDW.0>
0.193947

>  <SCORE.INTRA.norm>
-0.256899

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.483101

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000805

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 31  0  0  0  0  0  0  0  0999 V2000
  207.9051  196.3321  243.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1464  195.2764  244.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6330  195.2166  244.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8033  196.4770  244.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3066  196.2422  244.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4858  197.5322  244.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7003  198.2355  243.5549 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.1603  197.1998  244.6762 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.7411  198.8262  246.3418 I   0  0  0  0  0  0  0  0  0  0  0  0
  202.9483  195.5111  243.5954 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.9851  195.4679  245.7659 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.2270  197.0328  245.8120 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.1063  197.3991  243.6855 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.3710  194.7499  243.1507 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.1535  194.2388  245.2397 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.6698  194.0466  244.3189 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.4192  195.4672  245.9207 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.4232  196.2037  243.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2203  196.1128  245.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7209  196.2580  244.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5008  195.9681  246.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3051  194.6788  246.5483 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.8369  196.0609  245.8785 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.1519  197.2288  247.8057 I   0  0  0  0  0  0  0  0  0  0  0  0
  212.1354  195.3773  243.9162 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.0303  197.4924  244.3914 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.7521  197.0950  245.8653 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.9211  194.9506  245.6730 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.7287  195.1122  242.9675 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.8983  197.2689  243.0184 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.5896  197.5586  244.3216 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.4138  196.3733  242.5289 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
-166.89557534,-54.67510478,-54.30543369,-168.69782528,-170.99694361,61.71093796
-168.71467871,-171.91282189,62.21078699,207.49317524,196.74158276,245.41360047
-0.01887391,0.16264744,-2.22537629

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442827/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.2246

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-2.17536

>  <SCORE.INTRA.DIHEDRAL>
1.26957

>  <SCORE.INTRA.DIHEDRAL.0>
0.683207

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.81015

>  <SCORE.INTRA.VDW.0>
-6.44811

>  <SCORE.INTRA.norm>
-0.0679802

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.38202

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044849

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  193.0585  203.5359  238.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1993  204.4840  239.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4194  205.2801  239.3833 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5356  206.4205  240.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2495  207.7011  239.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2899  208.8430  240.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6201  208.7317  241.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0001  207.4805  242.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0209  206.3369  241.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5219  205.0669  242.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5817  209.9182  242.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2900  211.1062  242.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2633  212.3259  242.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7898  213.4993  242.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3674  213.5947  240.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9048  214.6662  240.4324 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.6472  214.5921  239.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6974  216.0149  241.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7381  217.0038  240.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5092  212.3534  240.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9348  211.1927  240.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9815  210.0514  239.8839 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6660  214.5992  243.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8014  209.8179  244.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9766  210.3953  244.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2782  210.2839  246.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4189  209.5922  246.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2492  209.0151  246.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9276  209.1197  245.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6488  208.5309  244.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0562  207.6107  245.0518 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2788  209.1618  243.3689 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0898  208.6703  242.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8205  209.4462  241.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2566  204.7003  239.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 22  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  CHG  1  16   1
M  END
>  <CHROM.1>
164.15411200,-98.52283647,112.19235050,105.74858624,157.05468583,177.24992453
-178.69369345,193.83153793,209.74083413,242.15986401,1.35165596,1.37532712
-2.81049825

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442842/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.61284

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-7.78716

>  <SCORE.INTRA.DIHEDRAL>
-8.38801

>  <SCORE.INTRA.DIHEDRAL.0>
17.5874

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.59316

>  <SCORE.INTRA.VDW.0>
-0.290957

>  <SCORE.INTRA.norm>
-0.235975

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.139783

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  193.8119  212.6512  263.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4252  211.6811  262.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6374  212.3143  261.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2478  211.4928  260.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3135  211.1646  259.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1336  210.3628  258.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8818  209.8503  258.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8288  210.1477  259.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9905  210.9608  260.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7845  211.0676  261.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3560  211.5394  262.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2101  211.6674  263.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8489  210.5441  263.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5585  209.3727  263.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2523  209.1231  262.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4504  210.3856  262.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2446  210.4680  262.9341 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9988  208.1161  261.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0981  207.4837  261.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4112  207.8408  261.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6363  208.7347  262.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4564  207.4681  260.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7216  208.0007  260.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0964  208.7019  261.8739 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6495  207.6491  259.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7806  208.4602  259.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5859  208.2843  258.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2838  207.2930  257.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1689  206.4698  257.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3358  206.6443  258.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8700  205.4215  256.8065 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.5840  205.3641  255.7951 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9211  204.6639  257.0427 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.2804  209.6864  260.7783 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.1105  212.7909  264.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6381  212.4635  265.5821 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.7855  213.8929  263.9558 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.8305  213.1771  264.6022 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  CHG  2  31   1  33  -1
M  END
>  <CHROM.1>
-179.96909970,-72.55681295,-14.00850556,-19.77434986,154.57499823,168.79808186
5.81290181,158.25989207,192.33180013,209.65919404,261.14671063,-2.19852732
-0.23727608,-2.47073489

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442843/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56466

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-6.83534

>  <SCORE.INTRA.DIHEDRAL>
-8.35414

>  <SCORE.INTRA.DIHEDRAL.0>
16.6006

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.65827

>  <SCORE.INTRA.VDW.0>
-4.20057

>  <SCORE.INTRA.norm>
-0.179877

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.172754

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000099

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  196.9213  214.3657  254.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2705  215.8247  254.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9878  216.2588  255.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2444  215.5723  256.5312 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7178  214.3104  256.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9493  216.0191  257.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2995  215.3287  258.5886 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4401  217.4152  258.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5737  218.5179  257.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0720  219.9144  257.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1917  220.9859  257.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6829  222.3765  257.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8090  223.4400  257.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3046  224.8259  257.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4354  225.8873  256.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9280  227.2710  257.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0682  228.3317  256.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5547  229.7168  256.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6980  230.7784  256.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1845  232.1680  256.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3412  233.2382  255.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8807  234.6214  256.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1596  235.7336  255.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3504  235.5436  253.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2765  236.0017  253.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3311  234.7920  253.4452 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5754  234.3249  252.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6997  233.3266  252.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5599  232.0898  252.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5295  231.1469  252.7782 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7014  231.4470  252.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9408  232.6395  251.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9241  233.5921  251.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
76.75466312,-179.35295186,179.66358227,179.53563370,179.55404140,-179.94278078
179.73264405,179.67939597,179.37002622,179.69526348,179.70748589,-179.67033413
179.18800561,-177.25407360,174.61997295,-61.34859729,-88.83701839,-167.42329262
67.31487097,66.42754137,195.79956994,226.24813497,255.47482360,-0.85349880
1.38463105,-0.87656269

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442844/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.094

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.769697

>  <SCORE.INTRA>
-5.30601

>  <SCORE.INTRA.DIHEDRAL>
-4.45642

>  <SCORE.INTRA.DIHEDRAL.0>
10.1146

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.0778

>  <SCORE.INTRA.VDW.0>
-0.90918

>  <SCORE.INTRA.norm>
-0.160788

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.608909

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.036999

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  208.1976  176.0209  247.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8968  177.1665  247.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6579  177.8749  248.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3475  178.2888  249.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2962  178.9961  250.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5598  179.3069  249.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8905  178.8586  248.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9433  178.1570  247.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5134  180.0355  250.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3068  180.4883  251.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2482  180.4148  252.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5197  181.1499  252.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7296  182.5118  251.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5144  183.3738  251.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3173  183.8986  250.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2638  184.7708  249.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3768  185.1005  250.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5668  184.6054  252.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6421  183.7530  252.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9747  186.1333  250.5309 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.4499  186.5751  251.8033 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3144  187.0655  249.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8429  185.0425  249.9112 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2446  184.0268  250.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1426  182.8062  250.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4410  182.0870  249.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6940  182.2001  249.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9289  181.5839  247.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9162  180.8528  247.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6698  180.7236  247.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4328  181.3336  249.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8723  177.9573  250.2310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.3479  180.3436  249.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1336  184.7196  248.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-45.28118351,1.10659156,71.94270523,43.93786208,-129.50479695,-165.71657103
68.82127732,-82.43001038,-60.20241678,105.25028840,209.91217665,181.69687271
249.97005747,1.62707224,0.43200958,-2.87772636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442845/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.7785

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-8.6215

>  <SCORE.INTRA.DIHEDRAL>
0.937682

>  <SCORE.INTRA.DIHEDRAL.0>
7.21585

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.09034

>  <SCORE.INTRA.VDW.0>
0.560098

>  <SCORE.INTRA.norm>
-0.269422

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.211828

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000235

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  184.4282  218.5052  261.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4462  218.5845  259.8633 N   0  3  2  0  0  0  0  0  0  0  0  0
  184.4156  219.5796  259.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.2224  217.9267  259.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1479  218.2665  257.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4758  218.0756  257.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6500  217.9895  257.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7437  218.0440  259.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0125  217.7550  256.7971 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.0476  217.7200  255.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7202  217.9455  255.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7748  217.9750  254.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5854  218.2249  254.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2886  217.7054  253.3314 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.6666  217.4533  253.0001 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.5205  217.4103  254.1741 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7779  216.1619  252.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4032  214.8942  252.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5011  213.7472  251.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9545  213.8435  250.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3044  215.0887  250.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2180  216.2360  250.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8431  215.2257  248.4497 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.0791  212.1877  252.5078 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  184.9288  214.7305  253.9746 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6156  217.7539  252.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.5221  217.4187  253.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.9406  215.5979  254.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  6  0  0  0
  2  8  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 27  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 25 28  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-61.77738738,-1.70947600,185.30299898,216.47105304,254.41350063,2.10508417
1.26932236,0.62826317

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442846/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.07854

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-5.32146

>  <SCORE.INTRA.DIHEDRAL>
-0.322612

>  <SCORE.INTRA.DIHEDRAL.0>
1.05798

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.16015

>  <SCORE.INTRA.VDW.0>
3.80711

>  <SCORE.INTRA.norm>
-0.221727

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0449393

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000128

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  205.5122  203.8074  247.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8291  202.4582  248.0671 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8669  201.3280  248.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2081  200.0824  248.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1503  199.0339  248.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9167  202.5270  249.2070 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6277  202.9919  249.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2032  203.4661  248.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8187  203.0663  250.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5980  203.2886  251.5525 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5945  204.2207  251.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7889  205.1566  250.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5265  203.7826  252.8206 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6005  202.8944  253.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5802  202.5084  252.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7847  201.6141  252.9068 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9527  204.9369  253.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7352  203.0399  252.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0477  201.7121  252.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1274  201.0541  251.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9146  201.7084  251.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6249  203.0226  250.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5501  203.6826  251.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2404  202.2054  250.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8134  202.3556  254.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  1  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
177.46491541,84.63058332,-178.57833581,29.02504231,45.69253814,-120.74320050
204.59078634,202.65070897,250.70985684,1.01874600,0.36881992,-1.89387819

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442847/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.99542

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-3.40458

>  <SCORE.INTRA.DIHEDRAL>
0.404646

>  <SCORE.INTRA.DIHEDRAL.0>
5.24082

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.6069

>  <SCORE.INTRA.VDW.0>
-2.09944

>  <SCORE.INTRA.norm>
-0.148025

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.347627

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  215.4368  193.1702  240.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7686  192.1545  239.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3900  190.8158  239.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7205  189.8572  238.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4314  190.2260  237.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7963  191.5662  237.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4685  192.5220  238.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8163  189.2346  236.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9197  188.4347  236.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4352  187.4566  235.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6773  186.7212  234.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8993  187.3622  235.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4621  186.3787  234.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8447  186.3081  234.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6629  187.2215  234.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0939  188.1929  235.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7048  188.2625  235.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1918  189.2217  236.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5629  188.3280  236.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3306  187.4643  237.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2145  186.9140  238.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7979  187.3271  237.8735 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.4370  186.6341  239.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1829  188.6407  237.6874 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4573  189.7470  238.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6214  189.8213  239.6631 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6894  190.8535  237.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2878  192.0840  237.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8322  192.6939  236.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8032  192.0511  235.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1178  190.8517  235.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5236  190.3201  236.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9337  189.0120  236.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3056  188.4221  235.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 33  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
55.65414669,-83.13719624,6.58011240,-168.10023629,-63.21540970,215.24608983
189.26646969,237.00434456,-2.48348337,-0.15858708,-2.56980486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442848/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.39382

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.305882

>  <SCORE.INTRA>
-9.00618

>  <SCORE.INTRA.DIHEDRAL>
-13.5865

>  <SCORE.INTRA.DIHEDRAL.0>
23.1522

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.21292

>  <SCORE.INTRA.VDW.0>
-4.95433

>  <SCORE.INTRA.norm>
-0.264888

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.0409947

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  206.3200  207.8070  254.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1871  208.2449  253.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4698  207.3246  252.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4712  207.8192  251.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7525  206.9803  250.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0402  205.6271  250.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0354  205.1360  251.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7678  205.9818  252.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4277  204.7261  249.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7869  204.9885  248.7710 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7678  204.8126  249.7758 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.7052  205.5004  250.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7944  203.9004  250.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.7343  205.0259  249.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.8002  205.9536  248.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CHROM.1>
138.22971757,72.31133368,59.56494755,-64.66171750,208.15730562,206.30784144
251.37733436,-2.49633300,0.93751506,-1.33303287

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442849/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09792

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-0.302079

>  <SCORE.INTRA.DIHEDRAL>
1.56659

>  <SCORE.INTRA.DIHEDRAL.0>
1.40403

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08537

>  <SCORE.INTRA.VDW.0>
1.03366

>  <SCORE.INTRA.norm>
-0.0274618

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.736175

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001428

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  222.7340  184.3691  244.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7580  184.8828  244.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5460  184.3053  242.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3133  183.2090  242.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3072  182.7194  243.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5121  183.2935  244.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9499  182.5518  241.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8318  181.5076  241.1282 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.1874  180.1634  241.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3636  179.9671  243.1039 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.1880  180.7148  243.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.8082  178.7025  243.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2233  178.1103  244.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5986  176.7632  244.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5320  176.0614  243.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1114  176.6788  242.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7719  178.0225  242.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3781  178.9568  241.2171 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.5572  182.0301  241.6418 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5740  182.5198  240.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6816  182.4219  239.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2835  182.9712  241.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4689  183.7526  242.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7747  184.8881  243.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2250  185.3686  244.6731 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.3206  184.0417  244.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3652  183.2866  243.6820 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0987  183.7729  245.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0164  184.5719  247.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8031  184.2928  248.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6808  183.2115  248.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7696  182.4027  247.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9849  182.6824  246.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3207  178.7741  240.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.4729  182.2763  242.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
-83.26324455,-71.64980400,70.32618301,95.63998015,42.56578194,137.69383500
-0.60984030,220.36350842,182.09323730,243.61841789,-2.34969565,0.87455077
-2.12723458

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442850/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.82787

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-3.57213

>  <SCORE.INTRA.DIHEDRAL>
-2.42292

>  <SCORE.INTRA.DIHEDRAL.0>
7.30633

>  <SCORE.INTRA.POLAR>
0.244824

>  <SCORE.INTRA.POLAR.0>
-0.994658

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.19307

>  <SCORE.INTRA.VDW.0>
-4.25691

>  <SCORE.INTRA.norm>
-0.111629

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.275871

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000030

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  214.0026  190.9542  238.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4875  190.8026  238.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0805  190.0708  237.5839 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4611  189.9269  237.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0951  189.1366  236.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
179.94053868,179.99156264,216.21670346,190.17173059,237.80795418,2.63081151
-0.18173566,1.04709439

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442851/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.3997

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-0.000299482

>  <SCORE.INTRA.DIHEDRAL>
-0.00059378

>  <SCORE.INTRA.DIHEDRAL.0>
0.000611579

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.59211e-06

>  <SCORE.INTRA.VDW.0>
-0.221629

>  <SCORE.INTRA.norm>
-5.98964e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.47994

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.086009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  226.6091  185.4177  242.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7926  185.3908  241.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1472  186.6631  241.4924 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3009  187.0988  240.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9805  186.4732  239.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8779  188.5302  240.9681 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.2821  189.4857  239.9597 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2704  190.5012  239.8542 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.0656  191.2405  238.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8586  192.1749  238.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6170  191.5064  239.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9209  190.7508  240.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9999  189.7183  240.2268 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.4342  188.7951  241.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5993  187.6129  241.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0093  186.5049  242.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1629  185.1993  242.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6530  184.4704  243.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8218  185.3261  244.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4305  186.6339  243.7229 C   0  5  0  0  0  0  0  0  0  0  0  0
  225.2770  189.2353  238.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5586  188.5815  239.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1375  187.4651  238.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3184  187.1391  239.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5145  188.0822  240.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4476  189.0311  240.4431 C   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  2  20  -1  26  -1
M  END
>  <CHROM.1>
179.92683134,-0.97584866,119.59028928,-45.67539442,52.14416993,-125.04238299
126.36927552,224.03316629,188.04464593,240.75546346,-0.97595598,0.25847982
-0.61588462

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442852/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85728

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-5.54272

>  <SCORE.INTRA.DIHEDRAL>
-8.04074

>  <SCORE.INTRA.DIHEDRAL.0>
10.3715

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.52235

>  <SCORE.INTRA.VDW.0>
-4.96989

>  <SCORE.INTRA.norm>
-0.213182

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.263741

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002080

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 30  0  0  0  0  0  0  0  0999 V2000
  192.9460  208.2514  258.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3920  208.6723  258.1425 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2864  207.4736  258.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9195  207.3400  259.4733 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2323  206.5655  257.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9280  205.3316  257.6394 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7261  204.4291  256.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4190  205.6539  257.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0677  205.2567  258.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9730  206.4586  256.8628 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3457  206.9203  256.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4724  208.2731  257.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8850  208.1924  258.9797 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9519  209.4389  259.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5079  209.1798  256.7468 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0758  209.4397  256.1554 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.8862  210.0849  257.1616 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4970  208.2071  255.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7567  210.6065  254.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4145  211.8338  254.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1665  212.7339  253.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2797  212.4203  252.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6337  211.1683  252.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8719  210.2643  253.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0328  213.3697  251.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7527  214.7291  251.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5452  212.7110  250.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5245  213.6627  251.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3719  206.8838  256.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9099  209.9838  256.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-100.99298664,-169.19028445,-173.96231153,178.40639055,127.45887038,-91.80111450
57.55771026,-178.69276668,-43.06117806,124.43370646,-4.98102148,196.18565263
209.18820719,256.01609128,1.33678377,0.28514575,2.43962531

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442853/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.86387

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.585714

>  <SCORE.INTRA>
-7.53613

>  <SCORE.INTRA.DIHEDRAL>
-2.59526

>  <SCORE.INTRA.DIHEDRAL.0>
8.81376

>  <SCORE.INTRA.POLAR>
-0.790921

>  <SCORE.INTRA.POLAR.0>
-0.209079

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.54937

>  <SCORE.INTRA.VDW.0>
-0.837074

>  <SCORE.INTRA.norm>
-0.269147

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.316567

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001960

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  208.2856  189.0851  243.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4575  189.1698  244.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5553  188.0533  245.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7500  188.4713  247.0756 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.7102  190.1324  246.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8172  191.0398  247.7192 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7544  192.2963  247.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5891  192.7074  246.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4897  191.7591  245.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5395  190.3971  245.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2929  192.1337  243.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5507  193.5056  243.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0615  193.6081  243.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6542  193.4479  242.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6758  193.8528  244.6200 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0584  194.0837  244.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7384  194.7280  243.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0885  195.0500  243.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7797  194.7224  244.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1129  194.0862  246.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7506  193.7713  245.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2179  193.1863  247.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0034  191.7791  246.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5166  186.6062  245.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1625  193.6374  245.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
15.26296005,78.56757051,89.09413606,32.11458973,77.73784792,210.21390722
191.79447927,245.26448194,2.52013690,0.69429934,2.22887937

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442854/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06662

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-4.33338

>  <SCORE.INTRA.DIHEDRAL>
1.19319

>  <SCORE.INTRA.DIHEDRAL.0>
8.54299

>  <SCORE.INTRA.POLAR>
-0.789907

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.24429

>  <SCORE.INTRA.VDW.0>
1.205

>  <SCORE.INTRA.norm>
-0.180557

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.252776

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  196.2417  202.8018  250.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0805  203.4627  250.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1974  204.0173  249.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1150  205.4338  249.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2574  206.0174  247.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4412  205.2045  246.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4847  203.8160  246.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3566  203.2242  247.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7005  202.9752  245.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6449  203.1952  244.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6252  204.3294  244.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7820  205.1819  245.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4141  204.2911  243.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3603  205.2377  242.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0161  205.0656  241.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7236  203.9598  240.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7702  203.0146  241.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1109  203.1947  242.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8519  202.1480  243.2238 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.2590  207.8783  247.3251 Br  0  0  0  0  0  0  0  0  0  0  0  0
  194.9125  206.0240  250.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1449  207.1990  250.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-114.64601260,-146.32547556,46.53073371,196.39100851,204.95355580,246.22756440
2.97077898,1.11034351,-0.15898510

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442855/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78737

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-2.61263

>  <SCORE.INTRA.DIHEDRAL>
-1.33761

>  <SCORE.INTRA.DIHEDRAL.0>
13.7872

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94382

>  <SCORE.INTRA.VDW.0>
2.62978

>  <SCORE.INTRA.norm>
-0.118756

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.263062

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000320

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  195.0107  215.6879  253.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2228  215.3288  254.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7327  214.4751  255.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0300  213.9867  255.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8219  214.3412  254.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3108  215.1944  253.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5673  213.1469  256.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9047  212.9904  257.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-0.05472769,195.69793580,214.53791428,255.12078275,1.96536480,0.35338892
-0.99756902

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442856/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39916

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.771429

>  <SCORE.INTRA>
-0.000840093

>  <SCORE.INTRA.DIHEDRAL>
-0.0024141

>  <SCORE.INTRA.DIHEDRAL.0>
0.00241642

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000366958

>  <SCORE.INTRA.VDW.0>
0.31966

>  <SCORE.INTRA.norm>
-0.000120013

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.771309

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051147

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  221.1327  190.3517  243.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0162  190.3158  242.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3720  190.1132  240.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5085  189.9932  240.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1722  190.1029  239.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3336  190.4437  238.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2174  190.3939  237.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9380  189.9676  238.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7314  189.5997  239.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8845  189.6845  240.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3919  189.2086  239.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3536  189.2120  238.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0428  188.7186  239.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2994  188.5721  241.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8109  188.7832  241.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5744  189.6149  237.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8662  189.9611  237.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0523  190.4513  235.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3285  191.2951  235.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1294  189.8636  235.3458 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4176  190.3536  234.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4144  189.7938  236.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3741  190.2959  237.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6679  189.2651  235.5849 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5784  189.3585  234.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5874  190.9707  238.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3981  191.6827  238.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5951  190.6490  236.7241 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7092  191.1335  235.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-1.47203696,154.61474100,-32.66846185,39.95147601,-127.20928227,-176.42283589
178.30711268,177.30748173,217.10914314,190.02743600,238.26953243,0.37802126
0.19822555,1.73336206

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442857/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1672

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-3.23282

>  <SCORE.INTRA.DIHEDRAL>
-12.5181

>  <SCORE.INTRA.DIHEDRAL.0>
32.4534

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
3.02624

>  <SCORE.INTRA.VDW.0>
2.39432

>  <SCORE.INTRA.norm>
-0.111477

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.350592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022690

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  190.8968  211.4454  259.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9316  210.8703  258.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5421  211.5516  257.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1153  212.8063  257.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0892  213.4010  258.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4716  212.7020  259.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6839  214.7431  259.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2130  215.3172  258.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6299  215.4526  260.7612 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.6855  213.4038  256.5674 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-0.06231572,192.15338500,213.53243701,258.88291792,2.20435584,-1.05960034
-2.04547918

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442866/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10081

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.299186

>  <SCORE.INTRA.DIHEDRAL>
-7.13884e-05

>  <SCORE.INTRA.DIHEDRAL.0>
8.45533e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.29915

>  <SCORE.INTRA.VDW.0>
0.188097

>  <SCORE.INTRA.norm>
-0.0299186

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.610081

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008885

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 49  0  0  0  0  0  0  0  0999 V2000
  211.1497  199.9693  251.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3176  199.1855  252.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4213  197.8451  252.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3511  197.0654  251.6051 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.5981  195.7593  251.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1600  194.9455  252.9053 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6352  194.6685  252.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3838  195.3950  252.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2192  193.5495  253.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4817  193.2710  254.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5453  194.3561  255.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1248  194.1235  256.2979 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0782  195.6209  254.2903 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.8693  197.0555  254.2277 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.3874  197.2640  254.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2263  197.7385  255.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4839  198.0573  254.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3381  197.7956  253.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0752  197.3667  253.2029 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2185  197.8625  252.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1338  196.6255  251.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5117  195.9534  254.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5040  194.9543  254.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2450  195.0758  255.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8972  196.2600  255.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8011  197.3221  255.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0959  197.1764  255.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6281  193.1383  253.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3256  192.2160  253.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2692  191.3212  253.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6450  191.4243  252.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1011  192.4372  251.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1048  193.2885  251.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8292  197.7317  250.3417 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2087  199.1968  250.2805 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.5647  199.0654  249.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6091  199.6109  250.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4498  198.0899  248.6426 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5993  197.1293  249.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5716  195.9474  248.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6786  198.6267  247.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1792  196.4132  251.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2919  199.2741  247.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4 34  1  0  0  0  0
  6  5  1  6  0  0  0
  6 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  1  0  0  0
 14 15  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 42  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 39  1  6  0  0  0
 34 35  1  0  0  0  0
 35  1  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  2  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <CHROM.1>
169.48226085,53.46038996,125.15919578,129.47796079,46.86201662,70.91689746
212.41803277,196.18091952,252.65114588,-2.74951074,-0.45382185,2.36770700

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442867/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74346

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.229268

>  <SCORE.INTRA>
-2.65654

>  <SCORE.INTRA.DIHEDRAL>
-1.18348

>  <SCORE.INTRA.DIHEDRAL.0>
4.85846

>  <SCORE.INTRA.POLAR>
-0.48826

>  <SCORE.INTRA.POLAR.0>
-0.640176

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.404719

>  <SCORE.INTRA.VDW.0>
-2.982

>  <SCORE.INTRA.norm>
-0.0647937

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.164475

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.388695

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  200.2991  203.7662  256.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7120  203.4243  254.9379 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.4716  204.6703  254.4994 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8318  205.7758  255.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0512  205.2720  256.2809 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.3677  205.9896  257.5131 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6422  206.4308  257.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9016  207.1502  258.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7520  207.4298  259.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5456  207.0413  259.4953 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2898  206.3421  258.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1392  206.0238  258.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9369  208.1346  260.9222 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9536  204.6391  254.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5182  203.3917  254.5033 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2915  202.9856  252.8370 P   0  0  1  0  0  0  0  0  0  0  0  0
  204.6404  203.6261  252.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6901  201.4334  253.1667 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0649  202.5796  251.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7182  202.0042  250.5783 P   0  0  0  0  0  0  0  0  0  0  0  0
  201.6372  201.9416  249.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5922  200.5348  251.1912 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4726  202.7674  251.2052 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5388  203.2268  254.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2005  209.1068  260.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4853  207.6165  261.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9765  200.8901  252.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7459  200.1470  250.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4732  203.7115  250.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8023  202.9709  253.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  6  0  0  0
  3  4  1  0  0  0  0
  3 14  1  1  0  0  0
  4  5  1  0  0  0  0
  5  1  1  1  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  6  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
M  END
>  <CHROM.1>
-177.73048197,48.07715846,85.43583091,67.30479070,54.52864175,92.66029705
129.51982901,-140.25545906,169.67077464,177.16987580,64.09198967,201.47004412
204.15978174,254.66783018,1.78931160,0.02225478,1.01314093

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442868/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.517139

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-11.8829

>  <SCORE.INTRA.DIHEDRAL>
-6.51439

>  <SCORE.INTRA.DIHEDRAL.0>
13.0923

>  <SCORE.INTRA.POLAR>
-1.98201

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.88685

>  <SCORE.INTRA.VDW.0>
-1.66988

>  <SCORE.INTRA.norm>
-0.495119

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0215475

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.175071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  186.8305  224.4515  252.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2265  224.0571  252.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4663  223.4699  251.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7556  223.0637  250.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8464  223.2877  251.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5958  223.8703  252.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2989  224.2456  253.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2147  222.8956  251.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2821  222.5889  252.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3157  222.1051  251.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9029  222.0599  250.0049 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7029  222.6974  249.9974 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1507  223.0960  248.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4762  222.3683  247.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9046  222.7150  246.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0298  223.8017  246.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7405  224.5628  247.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3022  224.2089  248.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3026  224.2458  244.7539 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.0320  223.0525  243.9906 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3138  225.2766  244.9634 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5942  224.9990  243.9867 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6893  221.6636  251.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5275  222.7243  251.8820 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.6822  220.9849  252.8869 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.2807  220.8588  250.7870 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.8704  225.8302  244.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3491  224.3278  243.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-154.37699750,-81.31914726,-154.29516739,35.59485761,-62.76037002,191.82929032
223.21446290,249.35036531,1.03000819,-0.33671163,1.67383230

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442869/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.33552

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.06448

>  <SCORE.INTRA.DIHEDRAL>
-5.22794

>  <SCORE.INTRA.DIHEDRAL.0>
11.8662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.549489

>  <SCORE.INTRA.VDW.0>
-2.63886

>  <SCORE.INTRA.norm>
-0.0794031

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.320597

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  216.7326  182.2926  244.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8298  181.4844  244.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7566  183.3824  243.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8724  182.1823  245.3289 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6174  183.8043  244.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7825  181.3536  245.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
-178.27506517,-1.73062827,216.83135860,182.34610309,244.64080257,2.09250393
0.42937379,2.53697482

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442870/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34706

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-0.0529428

>  <SCORE.INTRA.DIHEDRAL>
-0.0694768

>  <SCORE.INTRA.DIHEDRAL.0>
0.111204

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0182044

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.0132357

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.33676

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.108508

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 46  0  0  0  0  0  0  0  0999 V2000
  204.7985  191.8081  255.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8795  191.9694  254.7996 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9967  193.4484  254.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6101  194.2834  255.3891 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9181  193.7992  255.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8433  192.3306  256.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1950  191.4812  255.2904 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8378  190.3209  254.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9150  189.9633  255.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1966  189.4861  253.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0507  188.7279  254.1222 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3753  187.6360  254.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6245  188.1265  256.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7012  188.9421  257.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9843  189.4393  258.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1959  189.1331  258.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1232  188.3251  258.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8414  187.8282  257.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9659  195.4412  255.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9256  195.8232  255.2922 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5442  196.2200  257.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2115  196.7835  258.1177 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.2935  195.3210  258.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0576  195.1389  258.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7196  193.8310  258.2479 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7354  193.2213  258.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8098  194.1267  258.9078 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1067  193.8706  259.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8527  194.8982  260.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1999  194.7006  260.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7806  193.4498  260.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0334  192.4134  259.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7092  192.6232  259.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0973  193.3388  260.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9612  193.1051  259.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6618  191.8581  259.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4178  191.4801  260.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3849  190.1794  261.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5063  189.2391  260.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7132  189.6051  259.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8000  190.8955  258.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3639  187.8943  261.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
>  <CHROM.1>
-74.44312638,-69.89486381,76.54515066,52.01963497,-138.36880135,51.08094316
-114.51074565,-148.16780583,27.20504016,-113.40474748,206.10291613,192.12221210
257.70494851,-1.40726126,0.96309984,0.05711894

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442871/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.2723

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.366667

>  <SCORE.INTRA>
-6.1277

>  <SCORE.INTRA.DIHEDRAL>
4.03192

>  <SCORE.INTRA.DIHEDRAL.0>
14.9676

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.14366

>  <SCORE.INTRA.VDW.0>
-1.61142

>  <SCORE.INTRA.norm>
-0.145898

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.220769

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000676

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  203.7436  208.2530  246.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3388  208.3538  245.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7126  208.7680  245.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3069  208.8686  244.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9386  209.3609  243.9306 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
179.99875226,206.17739713,208.87770753,244.81579037,-2.64127491,-0.29946779
-1.64059928

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442872/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-9.19369e-06

>  <SCORE.INTRA.DIHEDRAL>
-1.83915e-05

>  <SCORE.INTRA.DIHEDRAL.0>
1.83969e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.04435e-09

>  <SCORE.INTRA.VDW.0>
-0.15139

>  <SCORE.INTRA.norm>
-1.83874e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.28

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048818

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  192.0579  220.6406  257.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3564  221.7387  258.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0746  223.0142  258.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3727  224.1314  259.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0131  225.2739  259.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1736  223.8201  260.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4541  222.5583  260.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9379  221.3949  260.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9436  220.1501  260.5517 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3443  219.7496  261.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7270  220.5431  262.7386 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9846  219.8586  263.8877 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8797  218.4298  263.7609 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3143  218.0710  262.2427 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.8741  220.1522  264.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2217  218.0863  264.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
1.71701876,193.00956219,221.06927871,260.93075891,2.24590439,-1.23547727
-0.01577698

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442873/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.201349

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-6.60135

>  <SCORE.INTRA.DIHEDRAL>
-14.4027

>  <SCORE.INTRA.DIHEDRAL.0>
14.43

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.60002

>  <SCORE.INTRA.VDW.0>
-0.43503

>  <SCORE.INTRA.norm>
-0.471525

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
-0.0143821

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000407

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  209.1033  207.5098  252.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1639  208.3737  252.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9949  209.5046  251.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7335  209.7274  250.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6447  208.8788  250.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8393  207.7531  251.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5373  209.4085  250.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9884  210.5585  249.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2988  210.7433  249.8255 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1506  208.8513  250.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1018  207.4044  249.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6615  207.1709  248.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1607  207.3831  248.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7445  208.2684  247.5266 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8187  206.4606  248.8668 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8753  211.5124  249.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.7858  206.5816  248.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
-55.73960244,-61.95764478,68.74880923,-115.04614466,179.88372674,207.58466666
208.49760841,249.94308002,-0.33650810,0.71063502,-3.06800022

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442882/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.6054

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-3.7946

>  <SCORE.INTRA.DIHEDRAL>
-2.06555

>  <SCORE.INTRA.DIHEDRAL.0>
3.5335

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.76183

>  <SCORE.INTRA.VDW.0>
0.18296

>  <SCORE.INTRA.norm>
-0.252973

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.373693

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  207.5107  181.1977  248.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5387  181.8257  247.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9303  181.9609  246.1266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.9038  183.4934  248.3833 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.0669  180.8962  247.8066 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.0244  179.5216  248.3186 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <CHROM.1>
61.09462967,208.40430709,181.47103942,247.76042717,-2.16033672,-0.49460850
-0.42261380

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442883/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29098

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-0.10902

>  <SCORE.INTRA.DIHEDRAL>
-0.185939

>  <SCORE.INTRA.DIHEDRAL.0>
0.191881

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0160503

>  <SCORE.INTRA.VDW.0>
-0.723227

>  <SCORE.INTRA.norm>
-0.0181699

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.0485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066983

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  205.2614  213.5572  243.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6006  214.3844  244.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7628  213.7486  245.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3614  212.3320  245.7637 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9765  211.5107  244.6948 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7769  212.1157  243.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4648  211.2169  245.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5506  210.3197  246.2026 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.5095  209.9834  246.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.9428  209.5211  246.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0669  210.8940  247.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8393  211.7068  247.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7196  210.5815  247.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8733  209.5720  247.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5724  209.4830  248.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1386  210.3249  249.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9900  211.2919  249.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2531  211.4334  248.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4911  212.1015  250.5233 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3877  212.4592  251.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8602  211.2925  252.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8472  210.6234  253.0459 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.6018  210.4037  251.7635 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.6484  211.7775  253.4555 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.0830  208.6663  246.4712 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0542  207.2619  246.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1228  206.8170  247.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3736  207.1296  247.3608 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.9048  207.3844  248.9576 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.0639  205.4748  247.9205 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.3417  212.3151  245.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
67.41144123,169.21904634,-75.22398881,9.33675305,119.46072913,141.73997930
-63.99854904,-58.95750703,-61.31700870,-57.05341850,204.55820314,210.45669717
248.09610872,0.65161689,1.30964997,-0.49953270

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442884/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.166121

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-15.2339

>  <SCORE.INTRA.DIHEDRAL>
-18.1522

>  <SCORE.INTRA.DIHEDRAL.0>
26.0377

>  <SCORE.INTRA.POLAR>
-1.08006

>  <SCORE.INTRA.POLAR.0>
-0.00591765

>  <SCORE.INTRA.REPUL>
0.0118068

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.54462

>  <SCORE.INTRA.VDW.0>
-1.89212

>  <SCORE.INTRA.norm>
-0.544067

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0059329

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000628

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  190.5123  214.8633  266.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7725  215.0736  264.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4265  215.7524  264.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5239  215.9102  263.7671 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5846  215.1867  263.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0105  214.1348  262.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6659  214.4298  260.9591 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8703  212.7172  262.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2625  211.8014  261.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1005  210.4797  262.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5289  210.0650  263.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1318  210.9549  264.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3115  212.2845  263.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3637  208.7663  263.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5223  209.5461  261.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9486  216.6846  264.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.9323  208.3362  262.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.2796  209.9821  260.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
79.61180906,66.94177796,86.01626070,176.29933503,0.11338480,0.10832496,190.40631365
212.79372547,263.22096745,1.66183884,1.46149914,0.19577024

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442885/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.60419

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-0.79581

>  <SCORE.INTRA.DIHEDRAL>
0.675925

>  <SCORE.INTRA.DIHEDRAL.0>
1.37239

>  <SCORE.INTRA.POLAR>
-8.19556e-05

>  <SCORE.INTRA.POLAR.0>
-0.346115

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13349

>  <SCORE.INTRA.VDW.0>
1.79668

>  <SCORE.INTRA.norm>
-0.053054

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.573613

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004115

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  211.9392  179.3683  243.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0184  180.0833  242.5961 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.9088  181.2863  242.9076 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6867  181.6125  244.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9812  180.5206  244.9217 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6079  180.1456  246.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8981  179.6529  246.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4387  179.1727  247.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6332  179.1803  248.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0682  178.6976  249.6205 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3982  179.7414  248.4782 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8041  180.1720  247.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6296  180.5292  247.3214 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3985  181.0068  242.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1212  182.2094  242.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3375  183.0377  244.0650 P   0  0  1  0  0  0  0  0  0  0  0  0
  216.5256  183.7961  243.4683 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0640  184.0017  243.7132 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5538  183.8659  245.5683 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7634  182.9857  246.8306 P   0  0  0  0  0  0  0  0  0  0  0  0
  215.3065  183.9296  247.9050 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3245  183.5767  246.3661 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9730  182.1053  248.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7032  180.4923  242.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8232  179.7385  249.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2756  183.4741  243.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8323  182.8942  245.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.5373  182.7101  248.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7436  180.9447  241.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  1  0  0  0
  3  4  1  0  0  0  0
  3 14  1  1  0  0  0
  4  5  1  0  0  0  0
  5  1  1  6  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  6  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <CHROM.1>
-179.29360648,159.31014532,57.58080270,76.69817040,158.78371196,81.90564802
-126.61165269,174.60280790,103.19332882,-152.79027824,213.65630081,181.54233070
245.53137518,1.98256550,0.82078383,1.81070286

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442886/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.33101

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-13.731

>  <SCORE.INTRA.DIHEDRAL>
-1.86066

>  <SCORE.INTRA.DIHEDRAL.0>
13.3368

>  <SCORE.INTRA.POLAR>
-1.84122

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.54054

>  <SCORE.INTRA.VDW.0>
0.372412

>  <SCORE.INTRA.norm>
-0.572125

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.0971254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.122341

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 52  0  0  0  0  0  0  0  0999 V2000
  206.6451  197.1963  238.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1109  197.5154  239.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6398  198.4214  238.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7025  196.7651  239.9859 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1063  196.9457  240.2978 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.4864  198.3699  240.7654 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.8176  198.3586  241.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9172  197.5576  242.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2531  196.3325  242.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4136  195.8981  241.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9398  194.7645  241.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3473  195.6507  243.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0976  196.2454  244.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8194  197.4199  244.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7107  198.0848  243.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5939  197.8310  245.6653 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8599  198.4854  246.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1263  199.6677  246.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7322  199.6287  245.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0643  200.7137  245.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7797  201.8406  244.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1645  201.8857  245.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8348  200.8068  245.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6977  194.4444  243.9711 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3183  194.5610  244.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0666  195.1518  245.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5954  194.2921  246.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3454  194.7657  248.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5674  196.1063  248.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0431  196.9660  247.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2915  196.4937  246.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5224  199.0901  241.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9696  198.4211  242.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0016  198.9677  243.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6423  200.3072  243.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1997  201.0079  242.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1211  200.4050  241.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7350  200.8421  244.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9536  202.1901  244.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4181  198.2145  244.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5541  197.1683  244.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0339  196.2238  245.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8383  194.8673  244.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2370  193.9992  245.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8184  194.4837  247.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0053  195.8280  247.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6117  196.6981  246.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  1  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 40  1  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 47  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
M  END
>  <CHROM.1>
-175.35811473,59.46461319,45.05327178,-84.75343750,-78.67305804,-57.24838073
107.69698931,-66.48002758,-109.39835816,-69.01686328,141.56662615,172.87825035
-145.67812293,209.28234916,197.62008927,243.98167393,0.83027996,-0.65103602
-1.39652279

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442887/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.19026

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391489

>  <SCORE.INTRA>
-13.2097

>  <SCORE.INTRA.DIHEDRAL>
4.48112

>  <SCORE.INTRA.DIHEDRAL.0>
14.6374

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-15.4503

>  <SCORE.INTRA.VDW.0>
3.55724

>  <SCORE.INTRA.norm>
-0.281058

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
47

>  <SCORE.norm>
0.110431

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002655

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 24  0  0  0  0  0  0  0  0999 V2000
  201.0025  199.7676  237.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6531  199.6668  237.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1253  200.4038  238.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9536  201.2616  239.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3152  201.3417  238.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8403  200.5925  237.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4640  202.0053  240.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1343  201.9932  240.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6650  202.7919  241.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6322  202.5453  242.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4990  203.9498  242.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8746  203.7455  241.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3791  202.6883  241.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6817  204.6973  242.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0944  205.8939  243.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7481  206.2084  242.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1366  207.4705  242.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9031  207.7631  242.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2298  206.8163  241.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7392  205.5282  241.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9694  205.2185  242.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 21  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-10.51708419,198.99416967,203.42314139,240.88663949,-1.21439076,0.01335707
0.61686679

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442888/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.90539

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.304762

>  <SCORE.INTRA>
-0.494611

>  <SCORE.INTRA.DIHEDRAL>
-1.88612

>  <SCORE.INTRA.DIHEDRAL.0>
1.98138

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.448449

>  <SCORE.INTRA.VDW.0>
0.0321546

>  <SCORE.INTRA.norm>
-0.0235529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.281209

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010642

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  194.8326  215.8540  257.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8189  215.5536  256.3698 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.4176  214.6662  255.2619 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9506  213.3442  255.8204 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.9771  213.6531  256.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1092  213.1979  256.9354 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4833  214.6089  257.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6302  214.3270  259.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8426  212.5449  256.2357 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3939  214.4201  254.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4066  216.8026  255.8127 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1505  211.6934  256.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7084  213.8762  254.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7382  216.6103  255.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  1  0  0  0  0
  4  9  1  1  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
-178.61655530,-66.29616954,-179.89505734,194.75184854,214.43948957,256.52922428
0.04425550,-0.86354590,0.60617485

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442889/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.43375

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.490909

>  <SCORE.INTRA>
-6.83375

>  <SCORE.INTRA.DIHEDRAL>
-13.3164

>  <SCORE.INTRA.DIHEDRAL.0>
13.5661

>  <SCORE.INTRA.POLAR>
0.195435

>  <SCORE.INTRA.POLAR.0>
-0.259214

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.840038

>  <SCORE.INTRA.VDW.0>
0.73802

>  <SCORE.INTRA.norm>
-0.62125

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
-0.13034

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016437

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  211.3751  209.1766  250.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6799  209.4982  248.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1575  209.1807  248.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1145  210.3044  248.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3988  211.1822  249.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6429  210.2000  247.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5620  207.8975  248.1285 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2635  210.9494  247.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2219  207.4065  248.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.1030  208.0931  247.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
6.74084543,-65.03582534,-179.14789823,212.48622385,209.64703423,248.61360351
2.85820411,-0.68442543,-2.58057405

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442890/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.6105

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.789502

>  <SCORE.INTRA.DIHEDRAL>
0.333923

>  <SCORE.INTRA.DIHEDRAL.0>
2.45995

>  <SCORE.INTRA.POLAR>
-0.0845227

>  <SCORE.INTRA.POLAR.0>
-0.10024

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.669086

>  <SCORE.INTRA.VDW.0>
0.115988

>  <SCORE.INTRA.norm>
-0.112786

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.944357

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030624

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 41  0  0  0  0  0  0  0  0999 V2000
  189.4824  202.5108  259.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6823  202.5342  259.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6187  203.4537  259.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2855  204.1104  260.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2690  205.0659  260.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6189  205.3641  258.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9616  204.6923  257.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9675  203.7392  258.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6810  206.3851  258.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2750  206.9639  259.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9185  206.5698  257.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9836  207.4864  257.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6459  208.9460  257.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6609  209.5061  256.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6104  209.6915  258.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6353  209.1652  259.7383 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4620  209.6944  260.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1784  210.6679  260.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3402  209.0445  262.1222 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1292  209.5920  262.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8970  208.9459  264.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9043  207.9738  264.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7418  207.3547  265.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5542  207.7143  266.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5214  208.7027  266.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6894  209.3182  265.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2145  207.5852  262.0109 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8903  206.7421  262.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6634  207.1411  263.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5747  205.4451  262.6016 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2592  204.4914  263.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8227  204.5899  264.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5198  204.2123  265.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0769  204.3647  266.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9324  204.9014  267.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2254  205.2730  267.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6738  205.1190  265.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9823  208.4258  259.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6371  207.1654  261.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
139.92426313,0.96618045,-176.67082494,-70.61565240,-55.90414227,-65.86348800
178.90163665,-80.52988639,176.44840048,137.27455848,-101.75710865,179.54613193
67.72894245,68.28749070,195.60699255,206.64013354,261.83657369,2.38495095
-0.83061796,-1.06732461

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442892/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03487

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.524324

>  <SCORE.INTRA>
-13.3651

>  <SCORE.INTRA.DIHEDRAL>
-7.22008

>  <SCORE.INTRA.DIHEDRAL.0>
18.152

>  <SCORE.INTRA.POLAR>
-1.94703

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.109004

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.68021

>  <SCORE.INTRA.VDW.0>
-0.460913

>  <SCORE.INTRA.norm>
-0.36122

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.163105

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  190.3539  206.7599  262.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9884  208.2324  262.6952 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.1575  209.2079  262.4472 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.4588  209.3146  260.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1938  209.6639  260.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0546  208.6916  260.5080 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8319  208.5992  261.9256 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7293  209.1091  259.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6052  208.2324  260.1752 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3662  208.7937  263.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3338  208.8221  264.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3827  209.1758  265.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6260  208.3212  265.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5875  208.1419  261.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.7779  207.2990  259.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-66.62172554,-177.25622825,50.01282497,-0.68681868,190.36777909,208.66726846
262.24474116,0.67006182,0.33443704,1.96344658

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442893/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72384

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-0.676158

>  <SCORE.INTRA.DIHEDRAL>
-1.52394

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-0.03089

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.190838

>  <SCORE.INTRA.VDW.0>
-0.733216

>  <SCORE.INTRA.norm>
-0.0520121

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.671065

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066245

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  202.7712  196.5393  243.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2235  197.3350  242.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1869  196.4759  241.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6350  197.2584  240.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5987  196.4035  238.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1055  197.1522  237.9530 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.8126  197.3922  245.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3627  196.5901  246.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4124  197.4321  247.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9536  196.6591  248.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3391  196.4500  249.7848 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
179.92919574,-179.93480656,179.71705742,-179.96106186,-179.71711954,179.84894151
-179.99363286,-119.99750115,202.53680856,196.88522991,243.73278795,-0.63719363
1.30281226,-2.47115188

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442894/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.865

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.21818

>  <SCORE.INTRA>
-0.534975

>  <SCORE.INTRA.DIHEDRAL>
0.000708205

>  <SCORE.INTRA.DIHEDRAL.0>
1.09607

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.535329

>  <SCORE.INTRA.VDW.0>
-0.520239

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
1.16955

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.068568

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  199.8030  197.4018  246.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8408  198.1059  247.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9127  198.1604  248.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9484  197.5113  249.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9654  196.8126  248.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8517  196.7832  247.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1937  196.2270  249.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3644  197.0221  249.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5968  196.5331  249.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7146  195.2123  250.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5902  194.3935  250.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3302  194.8838  249.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2556  193.8493  249.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4857  192.6651  249.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0301  194.2860  250.1858 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8778  197.7082  250.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1371  198.5372  251.4381 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6176  196.8611  251.6712 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9563  195.2167  250.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5870  196.9777  252.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
-11.99673162,-92.88823770,146.12440103,-4.69244812,179.70647951,201.20067505
196.24262460,249.56204068,-2.88944398,-0.69598730,1.65438650

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442895/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.68024

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-2.23469

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.20334

>  <SCORE.INTRA.VDW.0>
-2.29958

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.204458

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012809

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  204.7531  189.1223  234.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6648  189.8477  235.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2985  189.1006  236.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1928  189.6999  238.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4525  191.0680  238.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8201  191.8260  237.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9233  191.2139  235.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2804  191.9947  234.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1017  193.2762  237.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4335  193.9965  236.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9885  193.9046  238.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6276  193.1667  239.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3453  191.7242  239.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0289  191.1212  240.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5378  193.8224  240.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8065  195.1889  241.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1683  195.9227  239.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2561  195.2755  238.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4586  197.2545  239.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0242  197.8269  241.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1878  193.1814  242.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8308  188.9174  239.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4513  192.9160  235.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0243  192.2338  241.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7833  189.4368  239.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.61367591,-178.89031129,-0.15632226,30.03908287,204.78343284,192.67433805
238.48383539,-1.87856411,1.28029534,0.91467532

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442896/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.05488

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-0.345116

>  <SCORE.INTRA.DIHEDRAL>
1.20235

>  <SCORE.INTRA.DIHEDRAL.0>
0.000976464

>  <SCORE.INTRA.POLAR>
3.51694e-06

>  <SCORE.INTRA.POLAR.0>
-0.176423

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.946305

>  <SCORE.INTRA.VDW.0>
3.33034

>  <SCORE.INTRA.norm>
-0.0156871

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.275222

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000312

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  212.6001  189.5536  247.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8136  190.5878  248.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6914  189.9745  248.8896 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0477  190.9898  249.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7070  189.2172  248.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5930  187.8267  248.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7022  187.0454  247.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8947  187.6389  246.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9985  189.0068  246.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9119  189.7784  246.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9826  191.0901  246.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5272  191.5476  247.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
171.26158321,116.84664726,-10.61822911,209.76865020,189.41814048,247.65057304
-0.62559116,0.44278568,-3.09744807

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442897/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.68604

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-1.71396

>  <SCORE.INTRA.DIHEDRAL>
-0.988968

>  <SCORE.INTRA.DIHEDRAL.0>
2.38526

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21948

>  <SCORE.INTRA.VDW.0>
1.11496

>  <SCORE.INTRA.norm>
-0.155815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.516913

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 58 62  0  0  0  0  0  0  0  0999 V2000
  211.3252  185.0737  246.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8938  185.1616  247.9366 Ge  0  0  0  0  0  0  0  0  0  0  0  0
  213.7696  186.8777  247.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3305  184.9944  249.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1147  183.7123  247.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6818  183.9015  246.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7155  182.8522  245.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9029  183.1218  245.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3270  181.6299  245.2882 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1886  180.6272  244.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4356  179.3780  244.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7919  178.6232  245.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4275  178.7714  245.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7884  178.0155  246.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5431  177.0689  247.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9470  176.9996  247.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5503  177.7728  246.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8426  176.1079  248.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6987  176.9359  249.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1561  177.5438  250.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9737  178.3071  251.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3343  178.4540  250.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8753  177.8587  249.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0691  177.1039  248.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3716  178.9521  252.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4617  180.0824  251.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0958  181.2366  251.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3604  182.3163  250.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9671  182.2193  250.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2960  181.0843  251.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0393  180.0257  251.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3702  178.9724  252.4992 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7840  181.0547  251.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3846  180.9234  249.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8639  182.0388  249.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5032  181.9491  247.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6454  180.7457  247.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1588  179.6144  247.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5264  179.7009  249.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9695  178.5792  249.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3114  178.2951  246.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0492  183.5859  250.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4118  184.5064  251.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1888  183.7984  252.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5187  184.2571  253.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1289  185.3514  254.2355 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3249  183.3962  254.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7955  181.9670  254.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0130  181.9630  255.6450 Ge  0  0  0  0  0  0  0  0  0  0  0  0
  216.0392  182.9488  257.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7391  182.7951  254.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4668  180.1310  255.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8664  177.3785  250.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9685  176.2546  248.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8805  178.9724  253.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3570  178.5498  250.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.4868  177.6850  251.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2821  176.5073  249.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 41  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 42  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 32 55  1  0  0  0  0
 33 34  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 41  1  0  0  0  0
 39 40  1  0  0  0  0
 40 56  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
 53 57  1  0  0  0  0
 54 58  1  0  0  0  0
M  END
>  <CHROM.1>
66.00601919,174.81989234,-97.86384053,174.28371179,-177.66798478,-71.39766321
100.46665537,-40.88979300,172.82655682,-80.60907377,107.76362108,-11.09618109
55.87750945,-170.13894739,0.05024813,-46.91337969,-65.20056189,-51.25202946
214.67595288,181.23360001,250.07595673,2.46075282,1.14708832,-2.65155498

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442906/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6223

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.359259

>  <SCORE.INTRA>
-7.7777

>  <SCORE.INTRA.DIHEDRAL>
0.982667

>  <SCORE.INTRA.DIHEDRAL.0>
11.8481

>  <SCORE.INTRA.POLAR>
-1.02557

>  <SCORE.INTRA.POLAR.0>
-1.14346

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.78208

>  <SCORE.INTRA.VDW.0>
-2.28364

>  <SCORE.INTRA.norm>
-0.144031

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
0.215228

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019382

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  186.3185  204.9706  259.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6276  204.7830  259.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5652  205.8178  259.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1468  207.0538  259.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8292  207.2765  258.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9079  206.2126  258.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5483  208.5642  258.3373 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6305  209.3097  258.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0598  208.4854  258.8705 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.6778  210.6450  258.1204 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7605  211.4833  258.2172 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5360  212.7372  257.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5810  213.7228  258.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5331  215.0802  257.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8047  215.7026  257.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7710  214.8007  258.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1458  213.2176  258.5383 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.7963  211.0990  257.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
176.20817668,-177.97592170,179.42432132,188.72336984,210.13531303,258.60366390
1.96896803,0.25383912,2.91520592

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442907/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.36485

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-7.03515

>  <SCORE.INTRA.DIHEDRAL>
-14.2977

>  <SCORE.INTRA.DIHEDRAL.0>
14.5337

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.113699

>  <SCORE.INTRA.VDW.0>
-0.442142

>  <SCORE.INTRA.norm>
-0.413832

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.0802856

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  184.3729  202.4925  258.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3205  202.8042  259.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8221  201.5108  260.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8717  203.7488  260.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1355  205.0709  259.9531 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.1429  206.0335  259.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0347  205.8556  260.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5645  207.3307  259.2276 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.3461  208.1941  260.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9800  208.4331  259.5081 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.4331  208.0411  257.8040 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.3250  207.1180  257.9822 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9306  206.2865  256.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6648  206.1021  255.9300 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.5853  205.6273  256.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3983  204.3855  256.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1455  203.7487  256.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0909  204.3344  257.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2585  205.5691  257.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4749  206.2361  257.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5567  203.5668  257.1448 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.0355  209.3248  257.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8274  209.9943  257.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4290  211.1127  256.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2316  211.6074  255.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4512  210.9693  255.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8474  209.8436  256.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7844  212.7881  254.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4376  212.8984  253.5350 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.4595  212.7360  254.4173 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.9753  213.9751  255.3657 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.0899  205.3107  259.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  1  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
67.50263129,87.81376285,-82.63313571,-75.10420471,-149.17687341,-160.87301244
183.28256430,207.34502455,257.46033018,-1.88675179,-0.57091542,-0.53461923

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442908/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.5693

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-1.8307

>  <SCORE.INTRA.DIHEDRAL>
-1.02935

>  <SCORE.INTRA.DIHEDRAL.0>
8.97402

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.31602

>  <SCORE.INTRA.VDW.0>
-4.59724

>  <SCORE.INTRA.norm>
-0.0590547

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.308687

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000593

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  210.0353  199.4224  249.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9328  198.5623  248.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1050  198.5271  246.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0839  197.7092  246.1086 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.1973  196.2270  246.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6257  198.1852  246.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3289  199.6417  245.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4931  197.9123  244.6587 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.6300  198.9402  244.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.4980  197.6677  244.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7155  197.2848  243.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
-179.78004986,-65.13983723,59.14870229,-49.28297405,208.18065602,198.17219195
246.35681658,-1.04065920,0.62434101,-2.22268855

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442909/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.02992

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-0.370076

>  <SCORE.INTRA.DIHEDRAL>
-0.309964

>  <SCORE.INTRA.DIHEDRAL.0>
0.522882

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.215094

>  <SCORE.INTRA.VDW.0>
3.70325

>  <SCORE.INTRA.norm>
-0.0411196

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.00332

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005257

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  215.0414  187.2926  245.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2760  187.8900  243.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6942  188.4299  243.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8502  188.9742  242.5543 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0715  189.5114  242.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1791  190.0098  240.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3639  190.5963  240.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4528  190.6819  241.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3594  190.1787  242.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1647  189.5995  243.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5359  190.3485  243.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5186  190.9158  243.1059 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4254  189.7936  244.8355 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4203  189.8415  245.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2206  189.1070  247.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2177  189.0673  247.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4204  189.7589  247.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5789  190.5662  246.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5952  190.5924  245.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3199  189.6087  248.8361 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.5544  190.3147  248.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3148  190.0388  247.7042 F   0  0  0  0  0  0  0  0  0  0  0  0
  226.3093  191.6428  248.8149 F   0  0  0  0  0  0  0  0  0  0  0  0
  227.2752  189.9962  249.8833 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.6430  189.1761  245.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
179.95210108,179.99223711,178.97826515,-0.31640949,-172.88344069,-177.59455422
-59.38069464,221.78663310,189.79405017,245.31463059,2.64774432,-0.34178626
-1.21591020

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442910/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.16134

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-6.23866

>  <SCORE.INTRA.DIHEDRAL>
-12.5711

>  <SCORE.INTRA.DIHEDRAL.0>
12.7613

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0468819

>  <SCORE.INTRA.VDW.0>
1.17622

>  <SCORE.INTRA.norm>
-0.259944

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.256722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000224

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  189.8917  204.0979  267.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1367  203.2660  266.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4416  203.9138  265.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5355  203.7805  264.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8182  204.4812  263.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9814  205.2554  263.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8740  205.3504  264.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6104  204.6733  265.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3088  206.1725  261.7268 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.9383  204.4905  262.2241 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9952  202.8624  264.7226 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.8051  204.1018  265.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3090  203.7668  262.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-115.76741366,88.79522306,-15.38804822,189.85660320,204.40530439,264.29381550
-2.09703811,-0.41042094,-1.25906034

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442911/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.36958

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-2.03042

>  <SCORE.INTRA.DIHEDRAL>
1.4954

>  <SCORE.INTRA.DIHEDRAL.0>
4.35607

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.77812

>  <SCORE.INTRA.VDW.0>
2.75805

>  <SCORE.INTRA.norm>
-0.169201

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.447465

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000806

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  208.2100  193.3229  241.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9984  192.8292  240.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2116  192.1639  240.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9579  191.7113  239.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4919  191.8952  238.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2896  192.5688  238.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5451  193.0302  239.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3184  191.4274  237.3036 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6779  190.7225  236.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
136.77509907,209.87956585,192.15891907,239.00496524,2.08803261,-0.48545229
1.40221179

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442912/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.28707

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.112927

>  <SCORE.INTRA.DIHEDRAL>
1.30794

>  <SCORE.INTRA.DIHEDRAL.0>
1.06307

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.766895

>  <SCORE.INTRA.VDW.0>
1.79303

>  <SCORE.INTRA.norm>
-0.0125475

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.698564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002244

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  183.6996  212.4060  257.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0927  211.0439  257.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1434  209.9334  257.7968 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.7470  210.1497  259.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5796  208.4818  257.5664 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.0482  208.2628  256.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4969  206.8679  255.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6500  207.4197  257.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5040  206.5394  258.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8275  207.5763  257.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9330  206.6921  257.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2641  207.1586  257.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3390  206.2437  257.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0868  204.8751  257.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7764  204.4124  257.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7094  205.3142  257.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2037  203.9173  257.4450 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.3470  204.3706  257.3008 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9312  202.7190  257.5892 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.5856  208.5886  257.1955 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.6660  209.4133  257.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7775  208.9019  257.0495 O   0  5  0  0  0  0  0  0  0  0  0  0
  182.1849  208.2014  258.7110 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  1  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  4  17   1  19  -1  20   1  22  -1
M  END
>  <CHROM.1>
74.99758708,58.54680584,179.22798121,121.51769735,-179.85310007,-143.77638166
186.18059633,207.43889722,257.55771604,-2.53564531,-0.07245416,3.11908479

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442913/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.6487

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-0.751306

>  <SCORE.INTRA.DIHEDRAL>
1.22397

>  <SCORE.INTRA.DIHEDRAL.0>
2.14198

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.36329

>  <SCORE.INTRA.VDW.0>
1.56264

>  <SCORE.INTRA.norm>
-0.0326655

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.462987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000603

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  217.9110  185.8617  255.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6904  186.6699  255.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8190  187.1677  254.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5332  188.0606  255.4291 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.0949  187.7851  257.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2526  187.0340  257.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8278  186.7344  258.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8495  186.0819  258.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1173  187.2534  259.3758 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9697  187.9893  259.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4285  188.2781  258.0840 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9299  187.0256  253.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8247  186.4491  252.6693 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9159  187.6908  252.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9769  187.6140  251.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8291  188.3740  250.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9017  189.7504  250.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8413  190.4993  250.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4898  187.0632  260.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-0.69125684,178.91944159,-179.82158098,60.62972020,-179.99581321,215.46093431
187.62746591,254.95144830,-1.19217976,0.70002696,-1.57745838

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442922/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.0986624

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-10.3013

>  <SCORE.INTRA.DIHEDRAL>
-22.7838

>  <SCORE.INTRA.DIHEDRAL.0>
22.8119

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.09059

>  <SCORE.INTRA.VDW.0>
-0.387341

>  <SCORE.INTRA.norm>
-0.572297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.00548125

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001157

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  219.8181  187.5391  248.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3444  188.1616  247.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1344  188.8826  247.4711 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5767  189.4967  246.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9739  189.4479  245.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3031  190.1538  246.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5364  190.7602  245.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2917  191.3200  246.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8123  191.2750  247.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5724  190.6781  248.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8178  190.1198  248.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4977  191.8500  247.7246 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.8581  192.3657  246.7999 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1085  191.7825  248.9001 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
>  <CHROM.1>
-179.73604267,3.04890086,-175.50747885,215.69014979,190.26319700,247.22120528
0.06304642,-0.49218181,1.81879036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442923/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.70299

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.69701

>  <SCORE.INTRA.DIHEDRAL>
-4.99822

>  <SCORE.INTRA.DIHEDRAL.0>
5.09467

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.197898

>  <SCORE.INTRA.VDW.0>
1.01093

>  <SCORE.INTRA.norm>
-0.192643

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.407357

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  167.9707  216.6865  254.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.3728  215.2290  254.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.5367  214.4811  255.3478 O   0  0  0  0  0  0  0  0  0  0  0  0
  167.6648  213.1356  255.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.8915  212.5790  256.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.1977  211.3045  257.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.2829  210.5937  256.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.0542  211.1314  255.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.6610  212.3532  254.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.4688  210.5906  255.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.1872  210.7100  254.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.7565  212.1174  254.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.1848  212.5623  253.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
  171.6618  213.0115  255.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.6006  214.4115  255.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.2232  215.1979  256.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.9374  214.5293  257.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.0752  213.1360  257.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.3994  212.3893  256.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.1839  211.0217  256.5265 O   0  0  0  0  0  0  0  0  0  0  0  0
  170.5088  215.0187  258.7131 O   0  0  0  0  0  0  0  0  0  0  0  0
  169.7373  216.1936  258.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.0922  216.5609  256.3031 O   0  0  0  0  0  0  0  0  0  0  0  0
  171.7173  217.4048  255.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.3949  218.8652  255.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.8366  214.9842  253.9430 O   0  0  0  0  0  0  0  0  0  0  0  0
  172.0117  209.6295  253.8982 O   0  0  0  0  0  0  0  0  0  0  0  0
  172.3193  209.4687  252.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  165.8802  213.2052  257.2441 O   0  0  0  0  0  0  0  0  0  0  0  0
  164.8303  213.7558  256.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.2361  214.3172  253.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 20  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-178.19325472,171.03191008,54.44666950,160.77174637,154.48253325,-13.78694709
-20.68299484,27.83536252,-179.91060331,169.92039154,213.48327188,255.68382934
1.86472133,0.37732319,0.23688355

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442924/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78023

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-6.61977

>  <SCORE.INTRA.DIHEDRAL>
-1.91607

>  <SCORE.INTRA.DIHEDRAL.0>
12.2124

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.66173

>  <SCORE.INTRA.VDW.0>
2.74851

>  <SCORE.INTRA.norm>
-0.220659

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.226008

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000563

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  232.0416  191.5821  260.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.4085  191.9805  260.4162 N   0  0  0  0  0  0  0  0  0  0  0  0
  234.1453  192.5114  259.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.6893  192.7473  258.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.5594  193.2818  257.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.8827  193.5877  257.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
  236.3524  193.3545  258.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.4782  192.8165  259.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.8347  192.3971  261.3409 S   0  0  0  0  0  0  0  0  0  0  0  0
  234.1469  191.8099  261.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.8957  191.3344  262.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
  232.5803  190.9584  262.9578 N   0  0  0  0  0  0  0  0  0  0  0  0
  232.3502  190.4747  264.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.0092  189.9408  264.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0173  189.9301  263.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7709  189.3588  263.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5247  188.7912  264.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5145  188.8014  265.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.7597  189.3850  265.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2193  188.1724  265.2387 N   0  3  0  0  0  0  0  0  0  0  0  0
  226.3785  188.1833  264.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.0407  187.6748  266.3592 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
179.33452269,1.81606434,232.10288388,190.90062809,262.18168735,0.76272434
-0.32387863,-1.27502942

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442925/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.15417

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-1.24583

>  <SCORE.INTRA.DIHEDRAL>
-2.65087

>  <SCORE.INTRA.DIHEDRAL.0>
2.66269

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0796089

>  <SCORE.INTRA.VDW.0>
-0.568136

>  <SCORE.INTRA.norm>
-0.0566285

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.279735

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000027

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  211.8937  182.2262  255.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7863  181.3859  255.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2825  181.2588  253.7178 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4307  180.2192  253.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7198  180.1111  252.3224 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9548  178.9566  252.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0567  178.2541  253.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1591  179.0426  254.6272 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.1571  178.5294  251.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4142  177.3403  251.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6562  176.9533  250.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6398  177.7476  249.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3761  178.9286  248.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1249  179.3206  250.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6995  177.2697  247.6456 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.5165  182.3120  252.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2292  183.2717  253.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9922  182.3182  251.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4174  181.2876  250.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9096  181.1728  249.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9410  182.0909  248.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5697  183.1738  249.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1420  183.3001  250.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6333  184.0484  249.1413 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4922  184.3203  249.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4945  181.8989  247.5171 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9003  182.8685  246.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2991  180.2000  248.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3671  178.8664  248.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-89.31317892,167.29235750,177.78283379,-60.87763816,46.20702388,-109.76922429
126.71275415,210.42385329,180.47255677,250.87367664,0.39867856,0.95389806
2.15746938

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442926/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-9.89733

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-22.2973

>  <SCORE.INTRA.DIHEDRAL>
-39.227

>  <SCORE.INTRA.DIHEDRAL.0>
60.554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.68381

>  <SCORE.INTRA.VDW.0>
2.54957

>  <SCORE.INTRA.norm>
-0.768873

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
-0.341287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  216.9621  191.7270  262.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6743  190.6581  261.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6755  189.2798  261.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3715  188.4115  260.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9429  188.8846  259.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8557  190.2561  259.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3239  191.1096  260.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3046  190.8323  258.0482 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7960  191.2561  258.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9111  190.0769  258.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5624  189.2937  257.6813 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5863  189.7693  260.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3616  190.9752  260.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2370  192.1933  260.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5599  192.4314  259.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7479  193.5877  258.7742 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6804  190.4971  262.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8947  191.4350  260.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2561  191.8985  257.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6172  191.8973  257.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4921  193.0698  257.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8279  194.1522  256.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3999  194.3748  256.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6471  193.0623  256.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5997  192.9374  256.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6303  195.4561  256.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8251  193.7170  254.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3897  190.8235  257.8711 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9686  188.6027  263.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2263  188.8641  264.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8338  190.0479  258.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  1  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
58.16496739,99.08854659,-63.31481530,36.61685428,5.22027944,215.44101961
191.39292559,259.20771336,-1.95826099,-0.03065413,-0.97489749

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442927/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.04331

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-2.35669

>  <SCORE.INTRA.DIHEDRAL>
0.989322

>  <SCORE.INTRA.DIHEDRAL.0>
4.79423

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.85135

>  <SCORE.INTRA.VDW.0>
-2.07457

>  <SCORE.INTRA.norm>
-0.0785562

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.234777

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000666

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  206.0726  193.5728  255.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4881  193.6145  256.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3216  194.6718  255.8135 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4242  195.9362  256.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4339  196.9812  256.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9465  194.3863  254.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8590  193.2785  254.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6425  195.4118  254.0269 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9919  196.1800  252.9888 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.0951  195.5105  251.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5955  196.3693  250.5017 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2527  197.7078  250.5310 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7842  198.6813  249.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3777  199.0737  249.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2653  199.2514  248.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2024  199.4858  249.7150 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6214  199.4851  251.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9264  199.6044  252.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6774  199.4977  253.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0524  199.2292  253.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7253  199.0259  252.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9829  199.2343  251.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0445  198.3276  251.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4895  197.6136  253.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6802  195.6767  249.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6460  195.3992  254.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2395  199.5741  249.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 26  1  0  0  0  0
  9  8  1  1  0  0  0
  9 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 23  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
95.84291319,-95.02056384,-97.07687209,-83.76589868,207.77233700,197.00857068
252.61597646,1.29877480,-0.82807332,2.08011865

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442928/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.43047

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.96953

>  <SCORE.INTRA.DIHEDRAL>
-0.0838655

>  <SCORE.INTRA.DIHEDRAL.0>
3.53091

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.9276

>  <SCORE.INTRA.VDW.0>
-0.0789769

>  <SCORE.INTRA.norm>
-0.0787813

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.297219

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000266

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  194.9078  212.2045  260.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3941  212.7244  261.5558 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0962  211.7738  262.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6402  212.2759  263.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0840  213.6527  264.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3257  214.6350  263.1495 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8078  214.0483  261.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6651  215.9771  263.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7993  216.9176  262.3941 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0767  217.3140  262.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0247  217.0354  262.8309 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1770  218.1178  260.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7889  217.1356  259.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4460  216.9466  259.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0920  215.9885  258.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0715  215.2120  257.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4054  215.3857  257.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7577  216.3228  258.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2850  219.3903  260.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2082  220.1670  259.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4458  221.3371  259.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7685  221.7846  260.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8586  221.0568  261.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6059  219.8726  261.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5228  218.5622  260.4247 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1605  219.4486  261.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-176.92965951,-64.64239582,-9.93891840,-64.89194973,86.35765008,-176.39824703
-60.93732369,195.43023112,216.67963937,261.06608103,-0.17709090,1.56387553
-1.65169644

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442930/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39102

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-6.00898

>  <SCORE.INTRA.DIHEDRAL>
-9.73097

>  <SCORE.INTRA.DIHEDRAL.0>
13.0057

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.1435

>  <SCORE.INTRA.VDW.0>
-1.04399

>  <SCORE.INTRA.norm>
-0.231115

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.245808

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008595

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  185.5358  205.7476  256.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3784  206.5958  256.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7420  206.6848  256.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6607  207.0610  257.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2115  207.5200  258.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8051  207.5826  259.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9021  207.0982  258.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0451  208.2546  260.7416 Br  0  0  0  0  0  0  0  0  0  0  0  0
  188.9460  207.8576  260.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2814  208.3201  259.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9822  208.6306  261.2848 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3309  209.6263  262.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8555  209.3169  262.6339 N   0  3  2  0  0  0  0  0  0  0  0  0
  188.4932  208.8365  261.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.0371  210.5758  262.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9205  210.5780  263.8716 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.7101  209.2511  264.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0915  208.7833  265.0123 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.7982  208.2752  263.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9001  209.8636  265.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0514  209.5572  266.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8407  210.5804  266.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3706  211.8288  267.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0683  212.1869  266.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6231  213.3258  266.6251 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4363  211.1779  265.7434 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2744  211.5961  264.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2118  207.4193  262.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4463  206.6409  257.1626 Br  0  0  0  0  0  0  0  0  0  0  0  0
  191.7855  206.8112  261.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 19  1  0  0  0  0
 13 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 27  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  1  13   1
M  END
>  <CHROM.1>
27.16459546,-178.83219358,-55.53398472,52.82002098,60.69328303,-28.96043663
188.46641574,208.60397139,261.32736007,1.62046390,0.05211630,-2.04228123

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442931/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.05117

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-7.34883

>  <SCORE.INTRA.DIHEDRAL>
-2.68075

>  <SCORE.INTRA.DIHEDRAL.0>
6.11111

>  <SCORE.INTRA.POLAR>
-1.39841

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.25386

>  <SCORE.INTRA.VDW.0>
-1.61969

>  <SCORE.INTRA.norm>
-0.262458

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.10897

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  199.7035  204.0398  239.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5595  205.3105  238.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5103  206.2587  238.9664 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5714  205.8229  240.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8915  204.5683  240.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1770  207.7613  238.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8980  208.1245  239.5093 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8723  208.3170  240.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8263  208.1167  241.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5260  208.7858  241.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1368  209.0706  242.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9623  208.9436  243.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6884  207.8168  244.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5020  208.1182  245.0797 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2384  209.4005  245.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7926  210.1481  246.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3266  211.4497  246.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3427  211.9958  245.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8027  211.2528  244.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2533  209.9340  244.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5373  207.2216  245.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4578  206.7965  244.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0998  207.7561  243.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8231  207.3572  242.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9370  206.0154  242.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3441  205.0482  243.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6130  205.4383  244.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3966  208.2855  241.7791 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.4841  208.9084  239.9508 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6984  208.2672  238.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3162  207.8722  237.2711 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  1  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
63.39253750,82.20957571,-49.89750756,53.14377829,54.43400316,199.51724287
207.88113136,241.97579513,-1.69989897,-0.63561934,1.10187124

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442932/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.88537

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-2.51463

>  <SCORE.INTRA.DIHEDRAL>
-3.97714

>  <SCORE.INTRA.DIHEDRAL.0>
16.617

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.526066

>  <SCORE.INTRA.VDW.0>
-4.66011

>  <SCORE.INTRA.norm>
-0.0811172

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.254367

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001000

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  199.6853  206.2020  251.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1087  205.7837  251.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2337  204.2956  251.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6551  203.4936  250.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7317  202.0214  250.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0502  201.3579  249.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3653  201.3718  252.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4035  202.3371  253.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7894  203.7497  253.0883 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.2268  203.7543  253.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4593  202.9314  252.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3624  203.2425  251.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6764  204.5856  251.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6926  202.2337  250.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9580  202.4968  249.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3841  202.4836  248.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9719  203.5682  248.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2791  204.8945  247.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4062  203.5473  247.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2561  204.6600  254.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5058  205.1312  255.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6005  204.8930  254.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0276  205.7447  255.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
96.85822203,60.75367899,125.43784792,-134.32993757,-105.15290205,59.75207030
-118.37133865,179.21770295,200.01458799,203.71925614,251.47393892,0.96629963
-0.23744868,1.13973448

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442933/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.49745

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-4.90255

>  <SCORE.INTRA.DIHEDRAL>
-4.30034

>  <SCORE.INTRA.DIHEDRAL.0>
6.21332

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.75238

>  <SCORE.INTRA.VDW.0>
1.5422

>  <SCORE.INTRA.norm>
-0.213154

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.369454

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016370

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  196.9843  215.9373  244.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3287  217.1901  245.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0078  217.4998  246.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2358  216.4801  247.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2038  216.5556  248.8800 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.4644  217.9474  249.1562 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1940  218.2958  250.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4006  217.5754  251.2266 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7185  219.6771  250.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7082  220.2347  250.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4437  219.5361  251.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6821  220.1853  253.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3854  219.5285  254.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8564  218.2364  253.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6443  217.5881  252.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9376  218.2380  251.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5182  217.6035  254.8825 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.5984  220.1546  255.2639 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.9784  220.4131  248.7011 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.2217  218.9135  248.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5501  218.7544  247.1254 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5216  215.8616  248.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9702  214.7683  249.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1996  214.1604  248.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9903  214.6383  247.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5648  215.7212  247.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3445  216.3359  247.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7170  215.1676  247.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0430  214.4847  248.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1186  214.7554  245.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 21  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  6  0  0  0
  6 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-119.21067951,-134.39513581,199.72883878,217.55359102,249.67000424,2.47465318
0.79473172,-2.70817169

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442934/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.24256

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.246667

>  <SCORE.INTRA>
-2.15744

>  <SCORE.INTRA.DIHEDRAL>
-6.0196

>  <SCORE.INTRA.DIHEDRAL.0>
13.4361

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.85236

>  <SCORE.INTRA.VDW.0>
-3.25576

>  <SCORE.INTRA.norm>
-0.0719147

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.174752

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000211

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  204.3066  183.5669  245.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7197  183.2644  245.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3541  182.0690  246.1381 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.7403  181.7723  245.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4441  182.3027  247.5784 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2268  181.2875  248.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9223  180.1478  248.1389 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4309  181.6383  249.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7186  182.8400  250.5212 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2199  182.5556  251.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1945  183.5396  252.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4812  184.2795  253.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6094  185.2738  254.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4374  185.5157  253.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1124  184.7697  252.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9875  183.7778  251.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6127  186.4892  253.7424 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.7539  184.2453  250.4317 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.6029  184.3429  251.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3330  184.2876  249.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5860  185.5803  250.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5138  185.6342  249.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5382  186.6230  249.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6350  187.5419  250.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6889  187.4701  251.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6660  186.4802  251.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4407  188.7682  251.0287 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.8359  183.1716  247.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
177.11407203,142.25686715,52.49875711,140.30820219,-164.72205709,-87.40695419
-119.48365881,-54.99422335,204.91331070,184.49600724,250.27505696,0.44928738
1.03403970,-1.25425085

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442935/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.32996

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-7.07004

>  <SCORE.INTRA.DIHEDRAL>
1.02995

>  <SCORE.INTRA.DIHEDRAL.0>
5.60858

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.18501

>  <SCORE.INTRA.VDW.0>
-3.63913

>  <SCORE.INTRA.norm>
-0.261853

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.234443

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000593

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  200.0600  208.1800  240.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0418  207.5923  239.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6508  208.9814  238.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9250  210.4676  240.0455 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.2608  211.1823  239.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5118  210.0422  241.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9048  211.2955  240.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9587  210.5291  241.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7658  209.7387  242.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9568  208.3656  242.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6307  207.9672  243.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9026  206.5949  243.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4852  205.6759  242.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8295  206.0797  241.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5716  207.4334  241.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7342  204.3722  243.0933 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.9162  209.1454  244.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6145  209.3781  245.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7278  210.6803  246.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1145  211.7398  245.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3940  211.5328  244.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3379  210.2312  243.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
61.49799753,54.32832462,-104.41336706,197.77612102,208.80321684,242.50350068
-0.50262339,1.56842223,-0.35725472

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442936/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.9699

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-3.4301

>  <SCORE.INTRA.DIHEDRAL>
-0.461279

>  <SCORE.INTRA.DIHEDRAL.0>
3.11343

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.19946

>  <SCORE.INTRA.VDW.0>
-0.386891

>  <SCORE.INTRA.norm>
-0.163338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.236662

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003214

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  203.0744  220.7972  246.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5826  220.9740  246.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9041  219.7608  246.8568 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1065  219.5415  248.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5718  220.6926  249.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1437  220.9755  248.9075 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7189  220.9700  247.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4365  219.8712  246.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2108  220.7455  249.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8667  219.4803  250.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8892  219.3102  251.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2600  220.4380  251.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5388  221.6938  251.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5136  221.8429  250.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0148  220.3327  253.2742 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.3707  219.1811  254.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9327  221.6512  253.8655 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5229  219.9888  252.5277 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8095  221.0510  251.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3334  221.0941  250.3566 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1698  219.7245  249.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7465  218.5815  250.5224 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2437  218.6431  251.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5369  217.2133  249.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7172  222.2288  249.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5130  218.2775  249.9332 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.3413  217.9694  248.7406 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1300  217.5943  250.7631 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  6  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  CHG  2  26   1  28  -1
M  END
>  <CHROM.1>
80.37180750,-66.56929499,31.96050894,-74.70775963,196.89064724,220.00982203
250.23010175,0.57758832,0.07317463,-1.45396446

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442937/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.79848

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-2.60152

>  <SCORE.INTRA.DIHEDRAL>
0.284007

>  <SCORE.INTRA.DIHEDRAL.0>
2.18893

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.74352

>  <SCORE.INTRA.VDW.0>
-1.95473

>  <SCORE.INTRA.norm>
-0.0929114

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.242803

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001223

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  190.8178  212.4621  243.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9225  212.8558  244.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1220  213.4126  244.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4524  213.9069  245.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3499  213.4976  246.8130 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8480  212.4078  247.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0622  211.0549  247.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2381  210.4092  247.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5614  210.8966  247.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3200  209.0821  246.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9774  214.6558  247.5981 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2281  215.6298  246.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8874  216.7902  247.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7361  217.1247  248.0534 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
65.07472902,66.33668487,-70.08985654,72.01214821,114.40737548,179.86149143
-118.69711883,190.94968287,213.19605892,246.51865193,-0.33700740,0.95548082
-0.91462901

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442946/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7654

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-1.63459

>  <SCORE.INTRA.DIHEDRAL>
-1.37127

>  <SCORE.INTRA.DIHEDRAL.0>
3.86965

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.948957

>  <SCORE.INTRA.VDW.0>
-0.134905

>  <SCORE.INTRA.norm>
-0.116757

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.768958

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.033426

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  221.6002  183.0564  249.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7548  184.2068  249.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4029  185.1339  250.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6999  186.2524  250.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3069  187.1234  251.5952 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2334  186.2434  250.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5606  185.3464  250.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2614  184.2612  249.3312 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.0184  184.6835  247.9504 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8215  185.9295  247.1575 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.2340  185.6915  247.3724 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3171  185.9915  245.8025 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4147  187.4406  248.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4542  188.1748  248.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1535  189.2628  249.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8238  189.6085  249.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7867  188.9156  249.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0846  187.8559  248.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4611  190.8884  250.7356 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.6141  183.0178  249.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6415  182.4016  250.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0465  185.4153  250.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0246  184.7579  247.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  1  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-43.16884344,60.51975726,49.61918584,119.18364207,219.48321381,186.43183012
249.24170595,0.18404607,-1.40866101,1.90244571

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442947/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.89703

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-1.50297

>  <SCORE.INTRA.DIHEDRAL>
0.0141619

>  <SCORE.INTRA.DIHEDRAL.0>
1.58209

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.51005

>  <SCORE.INTRA.VDW.0>
-2.79326

>  <SCORE.INTRA.norm>
-0.0683168

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.358956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000553

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  223.0619  193.5926  240.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2866  194.1820  242.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1333  193.1371  242.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1126  191.9898  242.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2834  192.0562  240.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0379  190.7571  242.7806 S   0  0  0  0  0  0  0  0  0  0  0  0
  225.5305  191.7295  244.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9522  193.0014  244.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1714  194.0286  245.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3704  194.8481  245.8243 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.3902  191.2091  245.0835 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.8869  189.9044  245.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7329  189.0226  244.2959 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.7320  189.6107  246.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6059  189.2421  247.7532 S   0  0  0  0  0  0  0  0  0  0  0  0
  225.4783  190.6463  247.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3834  190.6548  246.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5567  191.7940  246.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8547  192.8347  247.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9037  192.7249  248.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7469  191.6597  248.6674 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1606  193.7690  249.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4907  194.9600  249.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0314  195.7136  250.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1161  195.0908  251.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4811  193.6165  250.7635 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.4113  191.9441  245.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2581  191.1202  244.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1543  191.2327  243.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2131  192.2212  244.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3502  193.0893  245.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4301  192.9408  246.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1673  192.3446  243.3102 F   0  0  0  0  0  0  0  0  0  0  0  0
  224.1228  189.4892  246.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9305  188.5553  245.4654 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.6080  191.8128  245.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 34 35  3  0  0  0  0
M  END
>  <CHROM.1>
-2.88913834,81.51455368,-53.32289978,82.26286526,-16.97399341,-0.57911008
224.40888421,192.01872420,245.90972395,2.12821097,0.68237400,-2.11075483

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442948/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.46082

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325714

>  <SCORE.INTRA>
-8.93918

>  <SCORE.INTRA.DIHEDRAL>
-4.60466

>  <SCORE.INTRA.DIHEDRAL.0>
8.46839

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.63685

>  <SCORE.INTRA.VDW.0>
-2.0231

>  <SCORE.INTRA.norm>
-0.255405

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0703091

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000050

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  187.2745  220.5131  258.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3437  218.9868  258.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5730  218.6252  257.9396 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9402  219.6886  257.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9607  219.6801  256.2587 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.8149  218.4852  256.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7747  218.2833  257.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0828  217.8384  258.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2283  220.9024  255.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3085  221.8298  255.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2912  222.4563  255.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0587  223.2498  256.0076 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5700  223.1444  257.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0311  223.7976  258.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3612  223.5511  259.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2595  222.6678  259.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8166  222.0224  258.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5001  222.2857  257.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0902  220.7987  257.3069 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1757  217.8402  258.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.7586  217.7354  259.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8651  223.8389  255.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.2217  221.7463  256.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 23  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-74.83881953,98.77780557,73.68366197,-179.72132417,136.66554030,190.61269772
220.89476433,257.42767046,2.52447320,-0.62979298,-2.51584690

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442949/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.76534

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-5.63466

>  <SCORE.INTRA.DIHEDRAL>
-3.54171

>  <SCORE.INTRA.DIHEDRAL.0>
9.67854

>  <SCORE.INTRA.POLAR>
-0.653284

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.64263

>  <SCORE.INTRA.VDW.0>
-1.54888

>  <SCORE.INTRA.norm>
-0.296561

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.198176

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000717

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  191.7297  208.8976  257.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9965  207.5872  257.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1781  206.8367  257.5165 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4324  207.2208  258.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7156  206.9080  257.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8850  205.3837  257.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0554  204.8597  256.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7712  205.5110  256.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0258  205.1337  255.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3570  204.2296  254.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6467  205.8716  255.1135 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.9545  207.4195  254.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6785  207.7135  253.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8653  209.2102  253.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5442  209.9619  253.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9033  209.7831  254.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6751  208.3071  254.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6926  205.1599  254.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2293  203.8502  254.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3852  203.2163  253.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9623  203.8897  252.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3658  205.1985  252.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1981  205.8248  252.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9090  205.7447  256.8738 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.0844  205.8841  257.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
87.82498993,-157.39671132,79.47529744,-58.38982903,176.40622516,5.64931425
66.68094753,60.93261523,65.11438050,37.28200673,189.71510420,206.40431173
255.30335118,0.13171580,-0.58171201,-0.12011472

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442950/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48063

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.641667

>  <SCORE.INTRA>
-6.91937

>  <SCORE.INTRA.DIHEDRAL>
-3.01846

>  <SCORE.INTRA.DIHEDRAL.0>
7.94267

>  <SCORE.INTRA.POLAR>
-0.25435

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.54535

>  <SCORE.INTRA.VDW.0>
1.67014

>  <SCORE.INTRA.norm>
-0.288307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.35336

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066489

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  195.0149  220.0676  260.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7684  218.7650  260.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8303  217.6973  260.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3731  216.4516  261.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5329  215.4957  261.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9895  214.1811  261.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1708  213.1816  262.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6493  211.8717  262.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9824  211.6631  262.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8064  212.6013  261.7910 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3088  213.8246  261.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1218  214.7849  261.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6697  216.0852  260.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7982  210.1701  262.5702 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.7754  210.7695  263.1865 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.5516  209.6681  262.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0095  208.4972  262.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4396  208.6341  263.9396 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4379  210.0111  264.2722 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6656  210.4530  265.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3001  211.5677  265.9326 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3615  209.5313  266.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3439  208.1469  266.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1955  207.5720  267.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8066  208.5298  268.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2509  210.0923  267.8492 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.1733  207.2274  261.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7422  206.1088  262.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9500  204.9239  261.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5865  204.8334  260.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0387  205.9443  259.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8383  207.1313  260.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8587  203.6377  259.8938 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7986  203.0898  259.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3405  208.1787  264.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15  8  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
-179.93428019,159.52592995,116.22512592,176.26166507,-29.53275092,133.34779672
195.20598170,210.65528908,262.88890666,1.15620857,-1.39640199,-0.50772125

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442951/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.37838

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-4.02162

>  <SCORE.INTRA.DIHEDRAL>
-1.78877

>  <SCORE.INTRA.DIHEDRAL.0>
8.13468

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.12724

>  <SCORE.INTRA.VDW.0>
3.0644

>  <SCORE.INTRA.norm>
-0.118283

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.217011

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  218.8036  179.9261  245.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5206  179.6167  246.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8462  179.5478  247.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1885  179.7299  247.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8772  179.9394  246.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7269  179.7093  248.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8574  179.5072  249.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4729  179.3111  249.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9672  179.3340  248.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4531  179.1205  250.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7509  179.1445  251.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1777  179.0276  250.3709 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6546  179.5685  251.6629 Br  0  0  0  0  0  0  0  0  0  0  0  0
  214.5104  178.9419  251.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
1.34191621,-177.43684020,218.42457170,179.51511221,249.57911060,-1.60599891
0.14379779,1.63630734

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442952/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.67522

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-3.72478

>  <SCORE.INTRA.DIHEDRAL>
-3.84342

>  <SCORE.INTRA.DIHEDRAL.0>
3.9186

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.80307

>  <SCORE.INTRA.VDW.0>
2.08945

>  <SCORE.INTRA.norm>
-0.286521

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.205786

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  205.5038  204.4279  251.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3287  205.1548  252.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7191  206.4971  252.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3230  207.0673  251.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5105  206.3706  250.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0768  205.0498  250.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2519  204.0441  249.0182 Br  0  0  0  0  0  0  0  0  0  0  0  0
  207.1149  207.0224  249.6408 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8771  208.8761  251.9389 Br  0  0  0  0  0  0  0  0  0  0  0  0
  204.5889  204.2629  254.3887 Br  0  0  0  0  0  0  0  0  0  0  0  0
  207.2715  206.5868  248.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <CHROM.1>
178.73137132,205.96777149,205.79861480,251.67323240,3.06662559,1.13784283
0.78398758

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442953/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.31977

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.54

>  <SCORE.INTRA>
-1.08023

>  <SCORE.INTRA.DIHEDRAL>
-0.00164579

>  <SCORE.INTRA.DIHEDRAL.0>
0.00339303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07941

>  <SCORE.INTRA.VDW.0>
0.871326

>  <SCORE.INTRA.norm>
-0.108023

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.431977

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000541

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  211.6421  181.1221  247.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9253  181.6307  247.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6364  182.1446  248.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0731  182.1502  250.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7842  181.6304  250.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0732  181.1185  249.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8507  182.7227  251.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7184  181.6795  251.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6720  181.1116  250.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4847  180.1782  251.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4598  179.8212  252.7089 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4545  179.6261  250.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3614  178.6634  251.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3212  178.1229  250.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3778  178.5414  248.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4717  179.4916  248.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5068  180.0344  249.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-89.96521279,59.84213366,179.79891235,-0.55175669,179.12027327,215.40476475
180.58643798,250.06470241,-3.09452503,-0.43310644,1.39205628

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442962/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.81013

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-1.58987

>  <SCORE.INTRA.DIHEDRAL>
-2.23697

>  <SCORE.INTRA.DIHEDRAL.0>
2.94868

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.471389

>  <SCORE.INTRA.VDW.0>
0.701486

>  <SCORE.INTRA.norm>
-0.093522

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.518243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.098078

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  189.8714  212.7942  263.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0868  214.0245  264.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2122  214.5708  265.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5256  215.7480  265.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7269  216.4777  265.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5481  215.9124  263.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2257  214.7095  263.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0231  214.1129  261.6721 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.3719  214.2414  261.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5387  212.7421  261.8310 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0444  215.0191  261.0756 O   0  5  0  0  0  0  0  0  0  0  0  0
  187.2164  217.7482  265.4293 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5703  218.5366  264.4841 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5036  219.8460  265.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0839  220.9586  264.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0530  222.1629  265.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2474  222.1931  266.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6127  220.9666  267.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8416  219.8202  266.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4154  218.5172  266.6022 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5178  220.8704  268.9356 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.1636  221.3248  269.2496 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7692  219.4594  269.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5831  221.7571  269.4023 O   0  5  0  0  0  0  0  0  0  0  0  0
  186.0251  223.4671  267.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8382  223.6654  263.9950 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.5808  224.2332  264.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0385  224.4466  264.2931 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7809  223.1686  262.6267 O   0  5  0  0  0  0  0  0  0  0  0  0
  190.3494  213.8581  266.8619 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.8851  212.4808  267.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6696  214.0060  266.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1539  214.6898  268.0489 O   0  5  0  0  0  0  0  0  0  0  0  0
  185.6098  218.2023  264.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.0913  218.1393  267.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  CHG  4  11  -1  24  -1  29  -1  33  -1
M  END
>  <CHROM.1>
-58.87436410,172.46610336,-62.37527422,118.54494940,51.87978052,187.57619890
218.13326709,265.34693135,0.61081145,1.15297098,-2.02139564

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442963/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0331

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-0.366941

>  <SCORE.INTRA.DIHEDRAL>
0.00492223

>  <SCORE.INTRA.DIHEDRAL.0>
4.97041

>  <SCORE.INTRA.POLAR>
-0.0590769

>  <SCORE.INTRA.POLAR.0>
-0.342451

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.16854

>  <SCORE.INTRA.VDW.0>
-2.61965

>  <SCORE.INTRA.norm>
-0.0111194

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.304032

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  185.9360  208.6320  260.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9836  207.6119  260.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7260  208.0472  261.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1980  207.6456  262.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9276  208.0886  262.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1879  208.9203  262.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6772  209.2826  260.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9374  208.8392  260.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5085  209.5779  262.6873 Br  0  0  0  0  0  0  0  0  0  0  0  0
  183.9668  206.7632  263.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1492  206.3428  263.1392 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7811  205.5311  264.0357 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0801  205.1070  263.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7916  205.5026  262.8534 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6091  204.1164  264.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1080  204.7964  265.9905 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2581  205.4211  266.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0395  205.3867  266.7279 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8633  206.1197  268.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2598  205.9852  268.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9370  206.6037  269.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2340  207.3596  270.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8517  207.4950  270.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1633  206.8774  268.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4468  207.0849  268.9796 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.3540  205.3287  264.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1017  205.0000  266.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-123.19676110,0.11072585,-176.52192571,-82.07739427,70.45650391,-4.52608899
184.68912544,207.32003554,264.64055744,-2.51681711,-0.47040704,1.46010170

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442964/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79941

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.60059

>  <SCORE.INTRA.DIHEDRAL>
-1.29815

>  <SCORE.INTRA.DIHEDRAL.0>
6.96265

>  <SCORE.INTRA.POLAR>
-0.509247

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.22008

>  <SCORE.INTRA.VDW.0>
3.07541

>  <SCORE.INTRA.norm>
-0.224024

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.231976

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000243

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 49  0  0  0  0  0  0  0  0999 V2000
  197.7970  224.7523  258.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8758  224.3327  257.9753 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6755  223.2548  257.2107 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.3781  223.8981  256.8782 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.6935  225.2007  256.8473 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1814  224.8085  256.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8728  225.5288  258.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5308  225.0797  258.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4729  226.1378  257.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2152  225.3424  256.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6045  223.6410  256.7597 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5915  222.5969  257.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9199  223.3327  259.0076 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9116  226.5619  256.1378 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5252  226.7359  256.0939 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9226  226.1689  254.8564 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.4957  226.1256  255.3866 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6291  225.4536  256.7562 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.8668  226.0460  257.1592 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6056  225.8392  257.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7390  225.1243  259.1581 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5668  225.8040  260.2337 P   0  0  1  0  0  0  0  0  0  0  0  0
  193.5093  224.5410  261.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9658  225.5680  259.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3947  226.4837  261.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1865  227.0594  262.7358 P   0  0  0  0  0  0  0  0  0  0  0  0
  192.0271  228.0059  263.0064 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9735  225.6053  263.4145 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9782  227.6350  264.1622 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0553  227.4834  255.5743 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3421  224.8600  254.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8783  227.5258  256.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0200  227.0710  256.8350 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7012  228.7403  256.9958 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5464  223.8265  257.8362 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8350  222.7607  255.5715 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7274  225.0129  258.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1634  224.8879  262.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7351  227.0687  264.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0602  227.9349  254.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4698  224.2328  255.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8282  229.1496  257.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5201  229.0132  257.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8688  222.8989  258.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.0947  222.1214  255.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  6  0  0  0
  4  5  1  0  0  0  0
  4 35  1  1  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 33  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  1  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  1  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 38  1  0  0  0  0
 29 39  1  0  0  0  0
 30 40  1  0  0  0  0
 31 41  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 42  1  0  0  0  0
 34 43  1  0  0  0  0
 35 44  1  0  0  0  0
 36 45  1  0  0  0  0
M  END
>  <CHROM.1>
-60.14725297,66.62169273,39.12028717,62.00905651,39.52372409,157.32428718
42.58430193,85.05516210,2.55489781,197.58929094,225.59256579,258.41032252
-0.48994024,-0.27338484,1.67843379

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442966/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.58766

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.233333

>  <SCORE.INTRA>
-13.9877

>  <SCORE.INTRA.DIHEDRAL>
-8.2665

>  <SCORE.INTRA.DIHEDRAL.0>
17.162

>  <SCORE.INTRA.POLAR>
-0.624104

>  <SCORE.INTRA.POLAR.0>
-1.51541

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.73246

>  <SCORE.INTRA.VDW.0>
6.31805

>  <SCORE.INTRA.norm>
-0.388546

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
-0.155213

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042740

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  210.1101  205.9375  249.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2556  207.4434  249.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8143  208.2357  250.5758 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.3823  207.8390  250.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3026  206.3536  251.1775 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.8728  206.0775  251.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3328  206.1132  251.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.6973  205.5558  249.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8797  209.7027  250.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6365  210.5502  250.9898 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4520  211.8011  250.4580 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5815  211.7046  249.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1786  210.3824  249.3467 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2642  209.9512  248.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7399  210.8498  247.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1405  212.2452  247.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0221  212.6540  248.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-118.90172304,209.22494226,209.32105679,249.66408235,1.53959741,0.85092045
2.88597921

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442967/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.96047

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.439529

>  <SCORE.INTRA.DIHEDRAL>
-0.0318014

>  <SCORE.INTRA.DIHEDRAL.0>
1.08215

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.423628

>  <SCORE.INTRA.VDW.0>
-0.502167

>  <SCORE.INTRA.norm>
-0.0293019

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.397365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  189.3814  220.6513  250.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5722  221.7946  249.5024 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8240  221.6158  248.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7076  220.4487  247.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4695  220.5839  246.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1858  220.7719  247.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3568  221.8997  248.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4537  222.8407  248.5937 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6604  223.8911  249.4349 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4907  223.6748  250.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5456  223.8255  251.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3720  223.4943  253.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1423  223.0070  253.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0864  222.8523  252.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2678  223.1744  251.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0198  222.7767  255.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0251  222.9899  255.7172 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8112  222.2952  255.5191 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5248  221.9974  256.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3036  221.3862  257.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0046  221.0194  258.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9133  221.2764  259.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1089  221.9233  259.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4077  222.2819  257.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6383  220.8634  260.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8475  224.3858  251.3600 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.9777  224.7934  250.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7463  224.4317  252.2113 O   0  5  0  0  0  0  0  0  0  0  0  0
  187.2394  224.7856  249.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.1207  221.9873  254.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  CHG  2  26   1  28  -1
M  END
>  <CHROM.1>
-72.80006376,117.87774412,-2.49533118,-173.49506965,187.66977105,222.40757629
252.82027443,0.95713634,-0.83984434,-2.00474164

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442968/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.15719

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-3.24281

>  <SCORE.INTRA.DIHEDRAL>
-4.18072

>  <SCORE.INTRA.DIHEDRAL.0>
4.98839

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15245

>  <SCORE.INTRA.VDW.0>
-0.901025

>  <SCORE.INTRA.norm>
-0.115815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.2199

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  211.3303  183.8220  253.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6158  184.6046  253.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7991  185.6413  252.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0894  186.4302  252.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2593  187.4671  251.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5490  188.2524  251.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7135  189.2904  250.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0035  190.0720  251.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1668  191.1118  249.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4577  191.8895  250.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6223  192.9310  249.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9164  193.7050  249.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0831  194.7493  248.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3787  195.5245  248.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5427  196.5718  247.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8392  197.3530  247.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9981  198.3954  246.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5226  199.6971  246.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6990  200.6695  245.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3568  200.3502  244.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8424  199.0588  244.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6672  198.0855  245.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
179.96961106,-179.75062750,-179.85215116,-179.80963046,-179.92378637,-179.87133763
-179.91180264,-179.92794645,-179.83424486,-179.92326263,-179.93236357,-179.85655672
179.99573915,-179.58519090,91.81944529,218.62036405,192.80880578,249.19908722
2.25546589,0.51849343,2.26319017

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442969/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.3355

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.927273

>  <SCORE.INTRA>
-0.0645217

>  <SCORE.INTRA.DIHEDRAL>
-0.088049

>  <SCORE.INTRA.DIHEDRAL.0>
0.764926

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0204972

>  <SCORE.INTRA.VDW.0>
-2.22323

>  <SCORE.INTRA.norm>
-0.00293281

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.92434

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.056628

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  203.0599  204.9636  244.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3941  203.6962  244.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3755  202.4899  245.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7027  201.1711  244.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6534  199.8530  245.5998 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.3581  199.9145  246.2411 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1072  198.6345  244.9636 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8173  200.3410  246.7445 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2195  200.5208  246.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9408  199.1805  246.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7634  198.2255  247.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3218  198.1995  247.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7758  199.6079  248.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1989  196.8107  246.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.96087753,179.61395047,54.64989678,-59.89802679,204.57487380,200.22192446
245.99444928,-2.09379038,0.26925548,2.87846970

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442978/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.61693

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-0.783067

>  <SCORE.INTRA.DIHEDRAL>
-0.940373

>  <SCORE.INTRA.DIHEDRAL.0>
1.17426

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.31288

>  <SCORE.INTRA.VDW.0>
-1.12128

>  <SCORE.INTRA.norm>
-0.0559333

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.615495

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004218

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  200.5346  200.1615  241.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7966  198.7209  241.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0236  197.8018  241.8087 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4862  196.5530  241.3791 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9755  196.2323  242.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
100.01780422,200.46556501,198.23994353,241.54790477,1.51251006,0.59891645
0.05753997

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442979/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.51814

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-0.88186

>  <SCORE.INTRA.DIHEDRAL>
-1.93948

>  <SCORE.INTRA.DIHEDRAL.0>
2

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.08788

>  <SCORE.INTRA.VDW.0>
-0.0882399

>  <SCORE.INTRA.norm>
-0.220465

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.12954

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005941

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  202.6702  219.3695  251.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6503  219.1633  250.4539 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0555  220.4097  249.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0479  220.1016  247.7315 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.3082  220.3585  247.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7342  221.7081  247.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7173  221.9749  249.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3684  222.0829  249.9064 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4920  217.9152  250.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9034  216.6362  250.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6576  215.5071  249.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0164  215.6283  249.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6215  216.8782  249.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8720  218.0071  249.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2661  218.8377  250.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2236  218.5944  249.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
178.87059090,92.08937202,-173.48596847,202.80759285,219.34141034,249.40350085
0.21721316,-1.07233037,1.61517811

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442980/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.51509

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-1.88491

>  <SCORE.INTRA.DIHEDRAL>
-0.690751

>  <SCORE.INTRA.DIHEDRAL.0>
2.02953

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.53954

>  <SCORE.INTRA.VDW.0>
-0.349095

>  <SCORE.INTRA.norm>
-0.125661

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.367672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009743

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  195.3345  203.6184  248.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5231  202.8027  248.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9144  203.1854  246.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0862  202.3807  246.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4153  202.6405  246.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4795  201.8581  246.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1979  200.7752  245.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8883  200.5181  244.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8422  201.3144  245.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7734  202.0203  246.7045 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7655  203.6786  247.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3657  202.5049  246.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1818  201.1688  247.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7198  203.6618  247.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.59265618,-77.87364235,177.63875835,-106.68920120,198.67708318,202.31151136
246.68128621,-2.59868546,-0.04077422,-2.32960056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442981/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.13808

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-1.26192

>  <SCORE.INTRA.DIHEDRAL>
-0.210637

>  <SCORE.INTRA.DIHEDRAL.0>
1.33138

>  <SCORE.INTRA.POLAR>
-0.220099

>  <SCORE.INTRA.POLAR.0>
-0.0803173

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.408269

>  <SCORE.INTRA.VDW.0>
-0.244322

>  <SCORE.INTRA.norm>
-0.11472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.648916

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002159

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 45  0  0  0  0  0  0  0  0999 V2000
  201.0127  203.0597  251.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2079  202.1846  251.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9173  202.2371  250.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3677  201.3381  252.2652 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4765  200.4743  252.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3320  199.2146  252.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4583  198.4008  252.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7136  198.8480  252.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8565  200.1188  251.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7263  200.9330  251.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1946  200.6026  251.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5122  201.8684  251.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9246  202.1635  250.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7479  201.2593  250.7062 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2912  203.4493  250.6705 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7425  204.7183  251.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7451  205.6825  250.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2138  206.1793  252.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7054  205.6224  253.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5998  204.7224  253.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9377  204.8408  252.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8774  205.7839  252.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4272  206.1733  253.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8885  205.4684  254.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7892  204.4501  254.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8975  202.8181  254.4104 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.7929  202.9451  253.4769 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8545  201.7474  254.2406 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1721  202.6244  255.9303 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3452  201.4718  256.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9691  200.2503  256.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2080  199.0799  256.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8401  199.1531  256.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2093  200.3763  255.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9570  201.5403  255.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1159  198.0218  256.0960 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.2725  197.1800  253.6519 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3363  196.4684  254.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5194  196.7784  254.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8283  195.2051  254.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2353  203.4801  250.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.6772  203.4976  256.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 42  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <CHROM.1>
-177.56807242,-145.97262209,-159.93319003,-167.69577377,13.50934654,156.92622630
-75.43744839,175.43387936,80.26238475,-0.22058050,205.97606785,201.59015458
253.30983731,2.15631117,0.14909415,2.73282329

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442982/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.03454

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385

>  <SCORE.INTRA>
-10.3655

>  <SCORE.INTRA.DIHEDRAL>
-12.2164

>  <SCORE.INTRA.DIHEDRAL.0>
18.3901

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.25727

>  <SCORE.INTRA.VDW.0>
-4.50347

>  <SCORE.INTRA.norm>
-0.259136

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.125864

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  192.2606  214.8673  256.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7639  214.7481  256.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1619  213.5263  256.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7665  213.3971  256.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9417  214.4841  256.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5527  215.7152  255.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9460  215.8399  255.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4330  214.3241  256.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8963  212.7308  255.4802 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.2424  211.6408  256.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9905  211.9278  258.0745 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.3541  210.8947  258.9335 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8676  209.8709  258.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9296  210.0835  256.5800 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.4864  208.4286  259.0708 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.9950  209.0497  260.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0772  210.1130  260.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2611  209.8518  260.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6149  211.3673  260.1236 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5270  212.3788  259.9554 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0969  213.5711  259.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0406  214.6738  259.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4348  214.6366  259.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8833  215.9403  259.3802 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8426  216.8093  259.3342 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7436  216.0518  259.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4284  216.7243  259.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2160  216.4412  259.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2781  215.5384  259.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5841  216.0089  258.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8456  217.3771  258.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8056  218.2765  259.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4965  217.8124  259.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3510  213.5046  259.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6320  211.5378  259.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-38.08010559,75.25181094,41.99684926,-27.28090789,-60.95038675,-103.02094915
-174.07138878,2.42421064,11.77585147,189.55746469,213.37953820,258.27042867
0.54449740,-0.57632682,-0.59471806

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442983/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.8549

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.423529

>  <SCORE.INTRA>
-7.5451

>  <SCORE.INTRA.DIHEDRAL>
-0.0411155

>  <SCORE.INTRA.DIHEDRAL.0>
5.75076

>  <SCORE.INTRA.POLAR>
-0.767728

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.91427

>  <SCORE.INTRA.VDW.0>
-1.72944

>  <SCORE.INTRA.norm>
-0.221915

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.201615

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  204.5083  212.0098  250.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4548  213.0184  250.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4075  213.1391  252.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6721  211.9894  253.1317 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0022  211.3740  253.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5914  210.7606  254.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8555  210.4063  255.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5091  211.1223  255.4927 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3483  212.3559  254.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5327  210.0858  254.9630 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3622  208.7646  254.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8274  208.2887  255.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0318  208.7767  256.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1207  207.8275  257.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3648  207.0401  257.6985 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8385  207.9045  254.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6469  207.8271  255.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0536  207.0495  256.2062 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1025  208.3998  253.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9406  208.1175  251.9406 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3907  210.0264  256.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6958  209.8589  257.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6779  209.8694  258.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3404  210.0549  257.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0210  210.2022  256.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0311  210.1819  255.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9932  209.7203  259.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2846  209.3536  260.0606 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.7925  210.8682  260.5234 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.2225  208.7720  260.4245 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.7744  206.8961  253.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7001  208.3179  253.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  1  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  3  0  0  0  0
 19 20  3  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
58.72513877,63.15168550,-50.84132855,-89.50529200,-10.57522488,204.67530122
209.86050016,255.72648876,1.05011844,0.73122432,-0.95716088

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442984/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0976

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-0.302377

>  <SCORE.INTRA.DIHEDRAL>
-0.0885083

>  <SCORE.INTRA.DIHEDRAL.0>
1.83546

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.258123

>  <SCORE.INTRA.VDW.0>
-2.84635

>  <SCORE.INTRA.norm>
-0.0100792

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.336587

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000251

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  206.1663  204.3998  248.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0159  205.5878  248.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1337  205.6429  249.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2008  206.5272  249.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1449  206.4179  250.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0189  205.4185  251.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9454  204.5272  251.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0077  204.6461  250.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7915  203.8075  249.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8075  203.3077  252.3754 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.3761  207.5164  248.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6537  207.4757  247.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-0.21249581,208.45374064,205.03499997,250.14942691,1.66205211,-0.56890482
-0.83076830

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442985/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39993

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.490909

>  <SCORE.INTRA>
-7.40459e-05

>  <SCORE.INTRA.DIHEDRAL>
-0.000618546

>  <SCORE.INTRA.DIHEDRAL.0>
0.000671573

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000235227

>  <SCORE.INTRA.VDW.0>
0.289369

>  <SCORE.INTRA.norm>
-6.73145e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.490902

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002570

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  215.7537  191.5927  243.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3889  191.8753  244.4006 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7339  191.1397  245.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4581  190.0102  245.5394 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6277  189.5459  246.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1257  190.1004  247.9108 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3784  191.2342  247.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1720  191.7888  246.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5193  192.9063  246.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6418  192.9651  244.6901 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7994  191.7645  248.9968 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1999  190.8474  249.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2714  190.0072  250.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2009  190.5935  251.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2099  189.8217  252.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2927  188.4561  251.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3594  187.8563  250.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3491  188.6244  250.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3643  188.3783  246.8704 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7867  188.4868  247.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0697  188.6896  248.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5871  189.9596  249.1046 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3074  192.5329  249.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.8451  187.6920  247.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.6210  189.9363  248.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
96.73113239,-41.15367368,68.11004000,67.76647558,80.25537907,-66.81879227
63.48330108,216.23316133,190.29846036,247.98472211,-1.85611710,-0.71198443
1.79235136

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442994/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.04225

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-7.35775

>  <SCORE.INTRA.DIHEDRAL>
-1.8319

>  <SCORE.INTRA.DIHEDRAL.0>
4.22104

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.0418

>  <SCORE.INTRA.VDW.0>
-1.10062

>  <SCORE.INTRA.norm>
-0.334443

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.183739

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000593

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  203.7041  202.7498  253.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5533  203.1749  251.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0451  204.3297  251.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8732  204.7190  249.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2771  204.0016  249.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4351  205.9880  249.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8985  207.0079  249.1145 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  3  0  0  0  0
M  END
>  <CHROM.1>
-0.00354530,203.94787989,204.51968693,250.55051899,-1.90950876,-1.03206279
-1.11002053

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442996/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-8.9471e-06

>  <SCORE.INTRA.DIHEDRAL>
-1.91705e-05

>  <SCORE.INTRA.DIHEDRAL.0>
1.92016e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
6.38168e-07

>  <SCORE.INTRA.VDW.0>
-0.0459911

>  <SCORE.INTRA.norm>
-1.27816e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.914284

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023814

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  200.5354  200.0668  247.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4160  201.1804  248.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9476  200.9550  250.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8333  202.0438  251.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1869  203.3321  250.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6664  203.5527  249.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7782  202.4818  248.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0431  204.4621  251.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6236  204.3150  252.8093 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5621  199.5920  250.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
0.15586476,200.14348405,202.18247531,250.26007922,-1.33452613,1.21310588
0.46043356

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442997/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39527

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.00472535

>  <SCORE.INTRA.DIHEDRAL>
-0.000886588

>  <SCORE.INTRA.DIHEDRAL.0>
0.000965781

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00428205

>  <SCORE.INTRA.VDW.0>
0.00755864

>  <SCORE.INTRA.norm>
-0.000472535

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.639527

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020379

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  214.6492  184.5894  254.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9382  184.4415  253.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9773  183.1620  252.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7440  182.0542  253.4295 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4449  182.2113  254.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3986  183.4600  255.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1459  181.0884  255.5151 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1025  179.7805  255.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6895  178.9312  255.9118 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5751  179.5059  253.8689 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2886  178.3466  253.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6957  178.2802  253.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3583  177.0889  253.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6106  175.9873  252.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2178  176.0622  252.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5655  177.2349  253.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2937  174.7339  252.4224 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.5239  174.6952  252.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5996  173.7923  252.0171 O   0  5  0  0  0  0  0  0  0  0  0  0
  217.5110  179.3998  254.0621 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.9459  180.4542  254.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7396  179.2309  254.1216 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.8609  181.2270  256.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.7372  180.3572  253.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  4  17   1  19  -1  20   1  22  -1
M  END
>  <CHROM.1>
-0.41414683,143.46830503,-91.71817070,215.77983386,179.22179781,253.76996336
-1.88295579,-0.30402918,-3.01726152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442998/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.84001

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-3.55999

>  <SCORE.INTRA.DIHEDRAL>
0.00389903

>  <SCORE.INTRA.DIHEDRAL.0>
0.964316

>  <SCORE.INTRA.POLAR>
-0.443248

>  <SCORE.INTRA.POLAR.0>
-0.414234

>  <SCORE.INTRA.REPUL>
-0.273641

>  <SCORE.INTRA.REPUL.0>
0.273641

>  <SCORE.INTRA.VDW>
-0.686693

>  <SCORE.INTRA.VDW.0>
-1.08825

>  <SCORE.INTRA.norm>
-0.161818

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.22

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000063

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  184.8791  218.9908  250.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1829  219.7499  250.2188 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.1721  220.5553  251.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1897  220.5238  252.2213 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2311  221.3125  251.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3115  218.8375  250.2165 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6104  219.2933  249.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7783  220.6192  249.6216 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9474  221.1769  249.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0845  220.3411  249.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9142  218.9672  249.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8845  218.2275  249.2596 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6808  218.4460  249.7071 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5936  216.9930  249.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3909  220.7922  248.7638 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6588  221.9300  248.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9442  222.5733  248.9837 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0333  221.3729  251.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.1291  217.8288  250.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0538  223.0895  249.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7550  223.1052  248.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <CHROM.1>
0.29611740,154.97369004,0.08942607,5.99410209,-0.20407042,188.95415455,219.98124018
249.92887820,-3.07701389,0.35688065,0.02735825

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/442/14442999/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.6557

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-2.7443

>  <SCORE.INTRA.DIHEDRAL>
-3.88982

>  <SCORE.INTRA.DIHEDRAL.0>
6.62311

>  <SCORE.INTRA.POLAR>
-0.7822

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.86009

>  <SCORE.INTRA.VDW.0>
-1.26762

>  <SCORE.INTRA.norm>
-0.161429

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.391512

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003865

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  184.5316  218.3088  267.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0147  218.5204  267.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4679  217.6182  266.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2720  219.9086  266.8867 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7199  220.8269  267.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9960  221.6099  268.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1674  220.8027  267.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9112  221.6504  268.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2246  221.3916  268.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2275  220.3892  267.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0218  219.9439  267.2708 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5797  220.0834  267.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2369  218.8802  267.5604 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5114  219.0041  268.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6820  219.4731  267.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3781  219.8104  269.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6385  217.6492  267.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5979  217.5802  266.5811 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3806  216.3817  267.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5980  216.2239  269.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4009  215.7716  269.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3945  216.8810  269.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7044  217.9929  270.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7658  219.0048  270.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5043  218.9124  270.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1792  217.8063  269.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1170  216.7932  269.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8335  220.3122  266.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
96.31837269,-97.14652473,175.82404976,101.87506972,-117.05049521,-66.69674336
59.58815045,78.41579876,-75.99906000,-63.02995211,189.75842931,218.86145470
268.30158670,2.87833259,-0.07936282,-0.19885196

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443010/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.4013

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57037

>  <SCORE.INTRA>
-3.99873

>  <SCORE.INTRA.DIHEDRAL>
2.82044

>  <SCORE.INTRA.DIHEDRAL.0>
7.08994

>  <SCORE.INTRA.POLAR>
0.160779

>  <SCORE.INTRA.POLAR.0>
-0.160779

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.9556

>  <SCORE.INTRA.VDW.0>
-1.94076

>  <SCORE.INTRA.norm>
-0.148101

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.422269

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000577

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  189.7890  210.4704  265.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3762  209.9588  265.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0926  208.6630  264.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7721  208.0948  264.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4013  206.8193  264.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3556  205.6660  264.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5707  205.7079  264.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6514  204.5213  264.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0456  206.4769  264.5499 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2648  211.5033  264.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2308  212.7090  264.5352 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7225  211.0228  263.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2721  203.7657  264.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.9770  205.5145  264.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0187  211.7091  262.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
119.04120915,96.02372423,-179.92905960,-0.84695807,-178.81847815,-179.83865610
-179.92385774,188.19909693,208.42902799,264.51586897,-0.99621686,-0.26367033
-3.00392705

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443011/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.80649

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-7.59351

>  <SCORE.INTRA.DIHEDRAL>
-10.6082

>  <SCORE.INTRA.DIHEDRAL.0>
11.956

>  <SCORE.INTRA.POLAR>
0.0962133

>  <SCORE.INTRA.POLAR.0>
-0.433692

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.61652

>  <SCORE.INTRA.VDW.0>
1.96845

>  <SCORE.INTRA.norm>
-0.632792

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.150541

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011854

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  216.5730  188.1332  250.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2088  188.5627  251.0063 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9740  189.7583  250.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8027  190.4492  249.8327 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5432  190.0866  250.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0323  191.1844  250.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5320  192.1877  249.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0332  193.1926  249.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5199  194.2913  248.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0629  194.5120  248.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2124  193.7161  249.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8322  195.7400  248.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4443  196.0733  247.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
0.09151915,179.74170133,-0.16627788,179.94282602,212.51994573,192.14176635
249.53726922,-0.81480738,0.10680201,-0.45792388

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443012/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.39998

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-2.14228e-05

>  <SCORE.INTRA.DIHEDRAL>
-6.51804e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.000470478

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.11674e-05

>  <SCORE.INTRA.VDW.0>
2.87434

>  <SCORE.INTRA.norm>
-1.64791e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.723075

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042339

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  198.6776  206.4345  233.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8773  207.8040  233.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8830  208.0038  234.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1117  209.2731  235.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2785  210.3451  234.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2920  210.1558  233.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0969  208.8938  233.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4576  211.7018  235.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9416  212.6479  234.7960 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1730  211.8768  236.5828 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5758  213.2383  236.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3334  213.5152  238.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9522  212.4716  239.2920 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5589  211.0997  238.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7218  210.8227  237.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9617  212.7333  240.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4068  214.0359  240.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4343  214.3132  241.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0627  213.2892  242.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6336  211.9797  241.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6021  211.7122  240.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1213  213.5013  242.9625 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6822  214.7186  243.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3162  215.8205  242.9138 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8798  214.6906  244.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4495  215.8001  244.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5888  215.6359  245.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1644  214.3743  245.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6057  213.2737  245.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4781  213.4249  244.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3760  211.5632  245.3901 Br  0  0  0  0  0  0  0  0  0  0  0  0
  206.8492  217.4119  244.6678 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.4924  212.6708  243.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
160.61738818,4.59095561,0.71516424,-168.63761498,203.88046738,212.49651381
240.65173939,-2.59496264,-0.72853000,0.36537425

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443013/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27172

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-3.12828

>  <SCORE.INTRA.DIHEDRAL>
-10.022

>  <SCORE.INTRA.DIHEDRAL.0>
11.9898

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.88272

>  <SCORE.INTRA.VDW.0>
1.29026

>  <SCORE.INTRA.norm>
-0.0977587

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.195991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000251

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 39  0  0  0  0  0  0  0  0999 V2000
  189.1420  220.4765  263.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7447  219.5695  262.7033 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2318  218.1333  262.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2134  217.0623  263.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9268  217.1872  262.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3441  218.4700  262.1690 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.2655  219.7684  262.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4799  220.8328  262.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4251  220.3876  260.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5324  218.2622  260.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6420  217.2307  260.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7535  216.9156  258.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9281  215.8210  258.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1363  214.9309  258.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4517  215.5101  257.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7351  214.6069  257.9524 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9988  215.4654  257.3734 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.1786  216.7609  258.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0517  218.0750  257.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7183  218.7313  256.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1982  219.1792  258.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4716  218.9565  260.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4766  216.3416  259.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3030  215.5686  260.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0313  214.2820  259.5064 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.0177  213.4345  260.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2020  213.4356  259.6000 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9684  215.6416  255.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3440  214.4412  254.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7851  213.9932  255.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0325  213.6568  256.4508 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5655  213.2023  257.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6749  212.3245  257.3562 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5971  217.8291  258.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9786  216.0374  262.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1446  212.6794  258.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4282  212.9358  256.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4659  211.4912  256.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  6  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
M  END
>  <CHROM.1>
-22.97116983,-177.21819438,-67.38310734,170.44114023,-178.41164142,176.06200423
-75.13422178,1.84392376,-49.31611342,-65.30519669,58.62788871,60.15495549
179.78710039,188.41173493,216.58601300,259.46579068,-1.97176678,-0.24987772
-2.41093833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443014/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.61269

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.44

>  <SCORE.INTRA>
-9.78731

>  <SCORE.INTRA.DIHEDRAL>
0.73563

>  <SCORE.INTRA.DIHEDRAL.0>
5.47433

>  <SCORE.INTRA.POLAR>
-1.78864

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.07374

>  <SCORE.INTRA.VDW.0>
1.25955

>  <SCORE.INTRA.norm>
-0.279637

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.160363

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003050

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  204.3972  210.3612  251.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5790  210.6677  252.5706 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.0745  210.7414  254.2433 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.0147  209.5626  254.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0136  209.4879  256.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6028  209.9083  256.5402 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2643  211.2703  255.7784 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.0472  211.6281  254.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1214  210.4046  254.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8400  208.9804  255.0229 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4309  208.9069  256.4476 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.7064  207.5276  257.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4823  206.6293  256.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4893  206.3850  255.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0822  205.2335  254.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5792  204.9163  253.5337 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.8762  205.9150  252.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1851  207.2618  253.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2681  207.6247  254.4388 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.8161  207.9187  254.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9781  205.1945  253.3015 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3373  204.6623  254.0874 Si  0  0  0  0  0  0  0  0  0  0  0  0
  206.9180  205.3333  253.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5366  205.3523  255.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4891  202.8096  254.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1677  211.6359  256.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7909  211.8581  252.1782 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4907  211.7664  251.0525 Si  0  0  0  0  0  0  0  0  0  0  0  0
  200.0797  212.8819  251.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0969  212.1128  249.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5713  210.0417  250.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 27  1  0  0  0  0
  3  2  1  6  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  1  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
-43.35247530,70.74694393,56.00536966,176.68839943,140.29931817,202.90171434
208.53323703,253.93470180,-2.78977651,-1.19230436,1.61191083

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443015/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93332

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-3.46668

>  <SCORE.INTRA.DIHEDRAL>
-0.50224

>  <SCORE.INTRA.DIHEDRAL.0>
5.53591

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.21556

>  <SCORE.INTRA.VDW.0>
-0.181326

>  <SCORE.INTRA.norm>
-0.111828

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.223656

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006909

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  218.0272  184.4745  241.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0855  185.4951  241.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3852  186.7440  241.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6588  186.9382  242.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6123  185.9187  242.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2900  184.6737  241.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8035  186.2524  243.2105 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7767  187.5115  243.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3319  188.3506  243.2472 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.8386  188.0826  244.2536 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0079  187.4476  244.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2477  186.2558  244.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0422  188.3401  245.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7827  189.3136  246.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4646  189.6659  246.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8531  189.5533  247.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5053  189.9566  247.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3662  190.3460  246.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5473  190.1921  245.7059 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9380  190.9371  245.6139 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.4869  187.9703  245.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6854  187.6635  244.7692 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6329  189.0339  244.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <CHROM.1>
-1.00953522,40.29977599,115.16238498,220.89800834,188.06621593,244.40181214
-2.35752925,-0.22136424,0.68403395

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443016/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.84157

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-5.55843

>  <SCORE.INTRA.DIHEDRAL>
-2.77324

>  <SCORE.INTRA.DIHEDRAL.0>
16.3395

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.771808

>  <SCORE.INTRA.VDW.0>
-1.50911

>  <SCORE.INTRA.norm>
-0.252656

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.129162

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000086

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  210.3982  186.1155  250.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3332  187.1370  249.6547 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.8787  187.4643  249.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2985  188.4069  249.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1807  186.5915  248.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0127  188.3159  250.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9662  188.9395  249.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
92.05953306,178.79992831,209.53984827,187.37951936,249.67850528,-0.06361324
0.50518681,-3.06999228

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443017/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.42671

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-1.97329

>  <SCORE.INTRA.DIHEDRAL>
-2.98711

>  <SCORE.INTRA.DIHEDRAL.0>
4.51342

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.479735

>  <SCORE.INTRA.VDW.0>
0.479617

>  <SCORE.INTRA.norm>
-0.328882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
0.737785

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.045706

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  198.0538  223.5445  255.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8396  223.2006  256.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9302  222.3397  255.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2992  221.7585  254.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5177  222.0883  254.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3880  222.9990  254.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6693  223.3036  254.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9706  222.8189  252.9874 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4463  224.1923  254.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7415  222.0546  256.6316 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4919  222.7076  256.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6860  224.2155  256.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0777  224.9575  257.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2622  226.3292  257.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0785  227.0088  256.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7449  226.3178  254.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5611  224.9050  254.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2761  224.2749  253.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1565  225.0024  252.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3178  226.3800  252.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6103  227.0360  253.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1483  227.3699  250.8592 Br  0  0  0  0  0  0  0  0  0  0  0  0
  194.3056  224.3782  258.4737 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2875  224.4125  254.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6052  221.0386  256.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5482  223.4446  258.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
103.87353991,179.20770742,-179.30929305,-51.75831604,-59.05807154,25.30700850
195.11846394,224.82556514,254.26932515,-0.80839691,0.42601770,-1.13308857

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443018/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.66432

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-4.73568

>  <SCORE.INTRA.DIHEDRAL>
-4.36074

>  <SCORE.INTRA.DIHEDRAL.0>
6.48472

>  <SCORE.INTRA.POLAR>
0.105036

>  <SCORE.INTRA.POLAR.0>
-0.916378

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.91243

>  <SCORE.INTRA.VDW.0>
1.08457

>  <SCORE.INTRA.norm>
-0.205899

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.202797

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 38  0  0  0  0  0  0  0  0999 V2000
  199.6417  199.0159  253.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9062  198.2212  252.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4057  196.8669  253.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4740  197.0679  254.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9769  195.8294  254.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6677  199.0241  252.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0608  200.2464  251.4975 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9355  200.9904  251.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8103  198.0996  251.4654 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4283  197.3984  250.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3916  196.7606  250.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5337  197.3003  249.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5646  197.9512  249.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2320  196.2594  248.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9554  194.9230  248.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5200  193.9455  247.7405 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0913  194.8392  249.1828 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3032  194.1674  248.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3493  192.6684  248.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6523  192.1309  250.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5399  190.7548  250.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1391  189.8973  249.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8685  190.4194  248.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9705  191.7939  247.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9319  188.1981  249.6089 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.8691  190.1896  252.0036 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.9903  194.9258  250.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6616  195.9378  251.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3863  196.1480  252.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4407  195.3591  253.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7918  194.3444  252.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1080  194.0875  251.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0749  195.7859  254.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5514  196.8682  255.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2509  195.0424  255.5629 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8425  193.6498  255.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0754  195.5744  256.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <CHROM.1>
61.64478948,64.74163823,177.20993544,178.02551654,179.80884709,-3.62978889
-8.93225454,-102.75553083,162.39676392,-135.40857683,-86.34873568,-120.27764253
-77.57203220,6.44609753,200.93002794,194.84884645,251.41994134,-3.08413051
1.07644262,-1.25997486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443019/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.16326

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.524324

>  <SCORE.INTRA>
-10.2367

>  <SCORE.INTRA.DIHEDRAL>
-7.93868

>  <SCORE.INTRA.DIHEDRAL.0>
13.2365

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.2674

>  <SCORE.INTRA.VDW.0>
-0.971447

>  <SCORE.INTRA.norm>
-0.276669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.247656

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  213.5649  194.5300  251.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0990  195.3408  252.6612 S   0  3  1  0  0  0  0  0  0  0  0  0
  215.3511  194.0922  253.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2985  193.6667  254.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5618  194.7822  255.5820 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4937  194.2217  257.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5192  194.3412  257.7426 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6247  193.5969  257.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9117  195.3413  255.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1945  196.5745  251.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7369  197.6098  252.8336 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.5503  198.7439  252.2007 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.4543  199.8253  253.2738 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0087  199.6345  253.7602 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6585  198.2464  253.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7463  200.0003  255.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0893  201.1105  255.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0881  201.1691  256.9092 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7959  200.0538  257.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1749  199.5703  258.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8539  198.4018  258.6427 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1604  197.7704  257.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8747  198.1464  256.2242 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1887  199.3011  256.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8883  200.2291  259.7644 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4581  199.5997  254.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9994  199.1908  250.9631 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5883  193.2487  258.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5724  194.8552  255.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9322  196.3043  255.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3858  201.1052  259.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9023  200.2110  259.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.2026  198.8680  254.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5566  199.8955  250.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 10  1  6  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  6  0  0  0
 13 14  1  0  0  0  0
 13 26  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 16 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 27 34  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-134.29736341,172.92659383,-61.76325279,-179.45416203,-100.31882401,-94.43356495
179.24707940,-174.52563362,-178.75610765,-76.23421729,105.29035876,-67.81204752
215.34818065,197.44464620,255.01224485,2.32639789,1.54051985,3.13360950

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443020/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.63811

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-7.76189

>  <SCORE.INTRA.DIHEDRAL>
3.13167

>  <SCORE.INTRA.DIHEDRAL.0>
9.55081

>  <SCORE.INTRA.POLAR>
-2.21822

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78576

>  <SCORE.INTRA.VDW.0>
-3.64202

>  <SCORE.INTRA.norm>
-0.287477

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.245856

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024367

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  204.2059  226.6947  250.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2687  226.3278  251.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9285  226.2545  252.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7483  225.9324  253.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5133  226.3162  254.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1872  226.0344  255.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0824  225.3361  256.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3241  224.9740  255.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6513  225.2532  254.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6846  225.0549  257.6023 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2403  223.8691  258.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7159  223.8626  258.8420 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.9940  222.7224  257.8714 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0420  222.2423  258.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4867  222.5579  258.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9505  221.9179  257.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3671  222.0925  256.7187 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6154  223.3873  256.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3302  223.4273  254.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8664  222.2979  253.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4294  221.0783  254.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9142  221.0148  255.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3342  221.6715  257.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2867  222.0124  255.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2272  221.5640  254.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4431  222.1997  253.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4285  222.9690  252.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6333  223.5408  251.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8994  223.4596  251.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9630  222.8196  251.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7044  222.1403  252.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2039  222.9407  251.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8108  221.7164  250.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3043  223.2265  253.7121 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2315  222.9135  255.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3146  223.3260  255.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0983  225.6818  258.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5671  223.8349  253.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <CHROM.1>
179.88273052,158.88867457,103.32775912,-121.15877681,94.72051092,-102.87350793
76.90702621,-62.42553451,-173.61834437,-84.51349824,95.23928751,-118.84536284
203.10778603,223.48973675,254.84379102,0.91394464,0.44381076,-1.22777886

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443021/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.72708

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.483333

>  <SCORE.INTRA>
-9.67292

>  <SCORE.INTRA.DIHEDRAL>
5.10293

>  <SCORE.INTRA.DIHEDRAL.0>
5.82232

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.2244

>  <SCORE.INTRA.VDW.0>
-0.705022

>  <SCORE.INTRA.norm>
-0.268692

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.214641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000188

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  210.2035  205.6376  253.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0509  205.9543  253.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8664  207.4714  252.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2640  205.3605  251.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0417  203.8484  251.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8952  203.0713  252.3571 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6062  202.2926  253.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7546  201.7917  253.8789 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7310  202.2601  253.0449 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2128  203.0171  252.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2259  202.0217  254.0098 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.7292  203.2547  254.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2867  203.6051  256.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8464  204.7360  256.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8311  205.5247  256.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2463  205.1765  254.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6895  204.0491  254.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2020  200.7873  254.8443 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5992  199.5750  254.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5824  198.2961  254.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3182  198.0436  255.6850 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9073  199.2788  256.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8937  200.5467  255.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2748  197.5429  254.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  7  1  1  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
75.18785976,-58.70092617,112.77751526,-75.90737458,-71.73330368,-59.75524602
208.52742966,202.59927015,254.19208005,-1.26217501,-0.72937220,3.06411195

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443022/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.82853

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-1.57147

>  <SCORE.INTRA.DIHEDRAL>
1.03682

>  <SCORE.INTRA.DIHEDRAL.0>
4.07035

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.08988

>  <SCORE.INTRA.VDW.0>
-2.33704

>  <SCORE.INTRA.norm>
-0.065478

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.409522

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000843

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  201.4912  214.7718  248.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1233  215.2350  247.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7109  214.3334  246.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6953  212.9525  246.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0391  212.5069  247.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4357  213.4091  248.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3021  211.9706  245.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2807  210.6562  245.5789 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8514  210.0526  244.4181 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6411  211.0011  243.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9417  212.2263  244.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9250  213.4904  243.3928 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0575  210.8068  241.9175 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.2916  211.1747  242.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0940  212.5039  242.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0936  213.6823  242.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9425  214.9269  242.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7925  215.0202  244.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7914  213.8749  244.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9452  212.6216  244.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9445  211.2415  245.2753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.6466  216.2189  244.6351 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.9451  216.0316  241.9205 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.8530  213.8879  243.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3505  214.1698  243.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.43829992,97.74084459,65.71200336,52.79677831,84.91788055,198.74892631
212.92387674,244.51298907,0.36345232,-0.82609539,0.45980499

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443024/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.5254

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-3.8746

>  <SCORE.INTRA.DIHEDRAL>
-0.153267

>  <SCORE.INTRA.DIHEDRAL.0>
5.70273

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.79797

>  <SCORE.INTRA.VDW.0>
-2.10638

>  <SCORE.INTRA.norm>
-0.168461

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.283713

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  216.5901  190.6314  239.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1471  191.0322  239.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1809  190.1160  239.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8182  190.4782  239.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4038  191.7988  239.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3790  192.6984  238.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7359  192.3113  238.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0717  194.0892  238.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9339  192.1918  239.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7342  193.3314  240.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0893  193.0308  241.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5886  193.1503  241.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3316  192.0774  242.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7222  192.2080  242.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3977  193.3939  242.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6573  194.4707  241.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2699  194.3730  241.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5894  195.6204  241.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8690  193.5184  242.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7288  190.7498  242.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8307  189.4096  240.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
124.58271917,-65.78527603,82.43879461,-125.75171965,213.45111310,192.42228073
240.70901903,-2.17724325,-0.21239204,0.68346113

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443025/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.73123

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
1.50195

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.83787

>  <SCORE.INTRA.VDW.0>
-1.31878

>  <SCORE.INTRA.norm>
-0.0794651

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.368154

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006294

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  226.8021  178.3054  245.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9957  177.2634  245.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0927  176.6567  244.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7237  176.7991  244.6926 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2573  178.0913  244.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3957  179.1013  243.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9378  180.3959  244.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2709  180.6977  245.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0438  179.6961  246.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5395  178.4040  245.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2052  177.0864  247.3059 Br  0  0  0  0  0  0  0  0  0  0  0  0
  221.8093  182.0881  245.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1752  182.3705  246.5940 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7344  183.6413  246.7598 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9294  183.9403  247.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6560  183.1397  248.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4542  185.3850  247.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1149  185.7287  246.7558 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.9740  185.7110  245.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2815  185.7681  245.1505 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6643  185.7610  243.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9842  185.8276  243.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2208  185.8153  241.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1594  185.7337  241.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8414  185.6635  241.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6170  185.6816  242.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1264  185.6160  243.7479 S   0  0  0  0  0  0  0  0  0  0  0  0
  224.0787  178.8774  242.0602 Br  0  0  0  0  0  0  0  0  0  0  0  0
  220.8486  184.3235  246.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-116.91705075,63.12118038,50.12938736,179.11948345,173.34475181,75.95259486
-71.87773147,-14.60726133,221.82632798,181.32281984,244.91874973,-0.63145364
0.93186371,-0.84675537

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443034/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.90424

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-7.49576

>  <SCORE.INTRA.DIHEDRAL>
-2.22631

>  <SCORE.INTRA.DIHEDRAL.0>
6.97045

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.98261

>  <SCORE.INTRA.VDW.0>
0.190173

>  <SCORE.INTRA.norm>
-0.267706

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.210866

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000007

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 12  0  0  0  0  0  0  0  0999 V2000
  182.2614  205.0688  264.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5756  204.3169  263.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7905  205.1747  263.5032 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.0372  204.2689  263.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1857  205.0021  262.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9719  206.5839  262.7787 P   0  0  2  0  0  0  0  0  0  0  0  0
  188.1763  207.3664  262.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2768  207.0058  264.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1199  206.2689  264.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7275  206.6174  261.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5859  205.8653  262.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.95590584,185.70560932,205.88788224,263.17817823,2.68838996,-0.21611598
2.97460402

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443035/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-6.36191e-10

>  <SCORE.INTRA.DIHEDRAL>
3.23269e-06

>  <SCORE.INTRA.DIHEDRAL.0>
0.00254891

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.61698e-06

>  <SCORE.INTRA.VDW.0>
1.08866

>  <SCORE.INTRA.norm>
-5.78356e-11

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 81 84  0  0  0  0  0  0  0  0999 V2000
  208.2410  205.0208  247.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9308  203.6075  248.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4549  202.6038  247.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1620  201.2832  247.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4032  200.9351  248.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8765  201.9232  249.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1351  203.2623  249.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1799  199.2262  249.0501 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.3925  198.4477  247.8487 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8950  198.9447  250.2780 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5473  199.1648  249.3449 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5356  198.6772  248.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3107  198.5902  248.8464 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8262  198.9362  250.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8596  200.0630  249.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2871  200.5373  251.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2694  201.6292  250.9626 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8863  201.0578  250.6174 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8724  202.1631  250.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9126  202.4482  250.9532 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1011  202.8156  249.0332 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3799  204.0380  248.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5422  204.4349  247.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9784  204.8814  246.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4029  204.5842  245.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8789  204.8917  245.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4317  204.1600  244.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9218  204.4111  243.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
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  204.0576  203.3606  241.8891 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6184  202.1149  243.7559 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2774  200.8774  243.3498 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6643  200.0427  244.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6099  200.7827  245.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9981  201.8959  246.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2768  201.5377  247.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7466  202.5084  248.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9787  203.8572  248.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
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  205.1826  203.2560  246.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4472  200.0329  242.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2775  200.3675  242.1024 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0250  199.0376  241.5678 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3005  198.3714  241.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5286  197.6898  240.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1318  197.3499  239.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1880  198.3268  240.5883 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1093  197.5092  241.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9316  197.5073  240.9798 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6247  196.8923  242.4083 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7251  196.2737  243.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9152  195.1440  242.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6234  195.6637  244.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8266  197.3260  244.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9770  200.1496  249.5096 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7512  199.5120  249.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8151  198.8605  247.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0203  199.8316  246.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0866  199.1589  245.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6171  200.4059  244.1863 Si  0  0  0  0  0  0  0  0  0  0  0  0
  197.4551  201.8810  244.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3641  200.9687  244.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5483  199.6030  242.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2270  202.5549  252.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3177  203.8968  251.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4027  204.5485  250.9694 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2087  204.3937  253.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2533  205.8134  253.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0228  206.1872  254.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0941  206.4723  255.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8727  206.7441  256.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5772  206.7250  257.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5040  206.4461  256.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7243  206.1765  255.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9010  198.2791  247.2938 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3150  199.6275  250.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9116  202.5828  248.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0779  202.1264  244.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0391  202.1952  253.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3237  197.5321  246.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8879  198.0591  247.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
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 12 75  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 17 64  1  0  0  0  0
 18 19  1  6  0  0  0
 18 55  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 77  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  2  0  0  0  0
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 31 32  1  0  0  0  0
 31 78  1  0  0  0  0
 32 33  1  1  0  0  0
 32 41  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
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 39 40  2  0  0  0  0
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 64 65  1  0  0  0  0
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 72 73  1  0  0  0  0
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 75 80  1  0  0  0  0
 75 81  1  0  0  0  0
M  END
>  <CHROM.1>
-22.34647434,103.26404071,150.10645111,118.71403065,-179.18115365,-177.44796593
83.82429620,-175.56920340,129.41329903,-111.18026218,176.33773720,-167.83524923
-68.61985745,149.58134428,-173.95567583,159.46884634,-177.57732292,153.98958027
116.97273542,156.21721397,-59.19283940,-9.14787753,73.13684662,80.22727720
133.22751050,168.57985352,61.63895592,167.02366611,-63.75345919,-179.78524631
-171.60909654,-53.98832998,-178.67003139,176.22801964,97.55447241,202.25153992
201.30489585,247.26418895,-1.84140309,0.07729872,-2.05806917

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443036/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
24.9201

>  <SCORE.INTER>
40.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
35

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.538667

>  <SCORE.INTRA>
-15.4799

>  <SCORE.INTRA.DIHEDRAL>
-7.54437

>  <SCORE.INTRA.DIHEDRAL.0>
30.7338

>  <SCORE.INTRA.POLAR>
-0.280258

>  <SCORE.INTRA.POLAR.0>
-0.324487

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.7549

>  <SCORE.INTRA.VDW.0>
-8.39273

>  <SCORE.INTRA.norm>
-0.206399

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
75

>  <SCORE.norm>
0.332267

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.124714

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  196.3066  220.9694  244.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8983  222.3011  244.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5070  223.2699  245.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5250  222.8535  246.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
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  195.7626  219.4985  248.0540 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.2112  224.5790  247.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-63.03834148,-88.46018335,-171.83160278,67.59575706,196.76427651,218.55162042
247.75094581,1.22974016,-0.34789316,-0.52348682

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443037/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.50231

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-6.89769

>  <SCORE.INTRA.DIHEDRAL>
-9.96157

>  <SCORE.INTRA.DIHEDRAL.0>
15.6247

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.91691

>  <SCORE.INTRA.VDW.0>
-1.30051

>  <SCORE.INTRA.norm>
-0.328461

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.119158

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000095

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  214.1001  182.7870  243.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4292  183.5022  244.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0535  184.5870  244.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3793  185.3985  245.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0427  185.1392  245.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4829  183.9374  245.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1571  183.1332  244.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1538  186.0158  246.6511 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8057  186.2667  246.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1645  185.0686  246.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0585  184.9377  247.9007 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9709  185.5272  249.2355 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.2030  187.0916  249.2770 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.0359  187.4985  247.7974 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.3941  187.8121  248.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7465  187.3661  249.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6463  188.8338  247.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0513  188.1446  249.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4310  188.3206  249.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0413  189.3391  250.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2951  190.2010  251.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9211  190.0696  251.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3200  189.0615  250.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5060  189.4978  250.7318 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.1703  188.7042  250.0459 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9899  190.3995  251.4206 O   0  5  0  0  0  0  0  0  0  0  0  0
  208.5961  184.9460  250.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5041  184.4270  250.8000 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7215  184.8926  251.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9916  185.4286  246.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7540  183.5726  248.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6739  186.9026  246.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0302  183.6065  248.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  6  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  6  0  0  0
 14 15  1  6  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 31 33  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
>  <CHROM.1>
168.45350134,25.11271548,178.39829163,-21.22301121,65.71757114,91.64733956
210.39768160,186.51157444,248.34413672,-1.34560279,0.23709216,0.81272323

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443038/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.71684

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-7.68316

>  <SCORE.INTRA.DIHEDRAL>
-6.00981

>  <SCORE.INTRA.DIHEDRAL.0>
19.2516

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.67825

>  <SCORE.INTRA.VDW.0>
3.78577

>  <SCORE.INTRA.norm>
-0.247844

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0876401

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  191.1786  214.6645  253.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1329  215.6724  254.5370 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7092  215.0440  255.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0742  214.7601  256.8259 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0549  214.8661  255.7246 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9110  216.9183  254.2553 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5625  217.9926  255.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3439  214.4766  256.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6663  217.2370  253.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <CHROM.1>
-111.32539763,164.63645724,179.12466327,191.69092334,215.69671182,255.12354334
2.07514367,-1.39103964,-0.08702512

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443039/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4887

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-1.9113

>  <SCORE.INTRA.DIHEDRAL>
-0.72679

>  <SCORE.INTRA.DIHEDRAL.0>
1.94423

>  <SCORE.INTRA.POLAR>
0.472254

>  <SCORE.INTRA.POLAR.0>
-0.472254

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.15357

>  <SCORE.INTRA.VDW.0>
3.4349

>  <SCORE.INTRA.norm>
-0.273043

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.7841

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.096630

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 53  0  0  0  0  0  0  0  0999 V2000
  217.0227  179.9837  238.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8659  181.0977  237.3974 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.8414  181.5972  238.3354 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3684  182.4082  239.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1957  182.7016  239.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5120  182.9612  240.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3506  183.7230  241.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5652  184.3898  241.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7949  183.1504  242.2668 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.8275  182.2664  240.6716 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7752  182.6170  239.7020 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5964  183.4126  238.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3564  184.2703  238.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8625  182.8521  239.6614 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.6643  181.8359  238.9160 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.2062  182.1419  237.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0168  183.2274  237.1393 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0176  181.0490  237.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2295  179.7946  236.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5607  178.5404  237.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3693  177.4052  236.8858 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.5025  178.6546  236.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0353  179.8494  236.1736 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3724  178.4009  235.4154 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0710  183.9169  242.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1184  183.1049  243.6560 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.5664  181.5032  243.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4721  180.9936  241.9685 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9159  179.6960  242.0690 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2772  179.4123  243.3126 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0750  180.5498  244.0108 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.3081  180.5587  245.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9968  180.5736  246.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1009  179.4275  245.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4106  178.9577  247.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0999  179.8103  244.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5706  180.5574  236.2529 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2825  181.4782  235.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2563  182.6881  235.7339 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0180  180.8430  234.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8902  181.6880  233.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9863  182.2157  234.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0601  182.9984  234.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6667  182.1637  232.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5870  181.6722  231.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4993  180.8924  232.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9560  180.9676  239.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.8780  179.1841  235.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.7734  177.6811  235.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
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 20 21  1  0  0  0  0
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 24 48  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 32 33  1  0  0  0  0
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 37 38  1  0  0  0  0
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 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <CHROM.1>
-75.36841479,175.45863912,2.60040649,-175.08597787,109.60912060,154.83268085
56.14504862,-123.80868040,176.92045139,-53.00112131,-18.01919949,68.58310234
58.51467242,142.66638975,-7.89084082,-176.42559160,66.91962778,220.50865123
181.36975246,239.19469800,2.01383941,-0.14848353,1.62066636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443040/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03336

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.486957

>  <SCORE.INTRA>
-16.3666

>  <SCORE.INTRA.DIHEDRAL>
-7.15605

>  <SCORE.INTRA.DIHEDRAL.0>
17.2801

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.496096

>  <SCORE.INTRA.REPUL.0>
0.804039

>  <SCORE.INTRA.VDW>
-6.90814

>  <SCORE.INTRA.VDW.0>
-2.00026

>  <SCORE.INTRA.norm>
-0.355796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.13116

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  221.4666  181.3438  250.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2863  181.8154  251.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3286  182.3651  250.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8407  183.6468  250.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8655  184.1998  249.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3642  183.5330  248.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8285  182.2444  248.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7934  181.6618  249.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2559  181.6095  247.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3435  182.2246  246.5823 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9872  183.4599  246.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4516  184.1460  247.9757 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6479  180.2831  247.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4982  179.1621  247.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6028  178.6024  248.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4729  177.5080  249.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2068  176.9540  249.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1050  177.4573  248.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2531  178.5448  248.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9516  176.9488  250.2293 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.9636  177.9808  251.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1941  184.5139  251.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4932  184.0166  252.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3904  180.0860  246.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-126.26392300,-37.64831042,60.03822814,-105.23604970,87.58189750,218.34044652
180.85325305,249.42407254,-1.66367374,0.85472621,-3.03333244

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443041/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.49434

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-2.90566

>  <SCORE.INTRA.DIHEDRAL>
3.87228

>  <SCORE.INTRA.DIHEDRAL.0>
3.86958

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.8418

>  <SCORE.INTRA.VDW.0>
3.71423

>  <SCORE.INTRA.norm>
-0.126333

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.325841

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002318

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  225.8971  181.3826  243.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7636  182.1936  243.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9718  182.4564  242.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2914  181.9021  240.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4606  181.1551  240.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2720  180.9118  241.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7729  180.0544  241.6502 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.8688  180.5642  239.0924 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.4537  182.0900  239.7767 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5837  183.5073  242.1540 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.4588  182.7189  244.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4010  183.5523  245.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2232  184.0314  246.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0326  183.7831  247.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0380  183.0168  246.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2660  182.4464  245.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0736  181.3422  244.7206 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.5070  182.7818  247.4454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.8111  184.4140  248.8672 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  226.5418  184.9061  247.2740 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  222.5362  182.1367  240.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9 21  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
60.65938031,-32.42133628,224.40515141,182.47590739,244.08752334,-1.32206441
-0.00387432,1.19246563

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443042/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.70487

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.695132

>  <SCORE.INTRA.DIHEDRAL>
2.48398

>  <SCORE.INTRA.DIHEDRAL.0>
2.50975

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.93712

>  <SCORE.INTRA.VDW.0>
0.575178

>  <SCORE.INTRA.norm>
-0.0347566

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.285243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  217.6538  178.4322  248.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8487  179.5541  249.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9585  180.8460  248.8891 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7978  181.4125  248.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5940  180.9623  248.4454 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8114  182.0804  248.6234 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6151  183.3381  248.7139 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.0146  182.8880  248.2861 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.2178  183.1115  249.1921 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7399  181.8973  249.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0095  181.6797  250.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6421  180.4383  250.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9072  180.2985  250.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5363  181.3966  251.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8914  182.6280  251.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6201  182.7620  250.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0024  184.4720  247.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6061  184.3072  246.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8473  185.2882  245.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4946  186.4586  246.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9459  186.6723  247.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7053  185.6946  248.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6042  181.9330  249.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5228  181.6724  250.5019 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3627  182.0639  248.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  6  0  0  0
  8  4  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
77.84618845,68.56103659,-49.26031004,14.62225682,216.86527468,182.44245754
248.97037481,0.48960191,0.27953834,2.93947736

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443043/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3169

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-3.0831

>  <SCORE.INTRA.DIHEDRAL>
-4.09744

>  <SCORE.INTRA.DIHEDRAL.0>
6.61579

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.03438

>  <SCORE.INTRA.VDW.0>
-1.2142

>  <SCORE.INTRA.norm>
-0.123324

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.252676

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044306

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  203.1828  196.6930  238.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8620  196.1797  239.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1296  195.2660  240.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9335  194.7436  240.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2991  193.7797  241.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0576  193.1886  242.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5214  192.0735  243.7814 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.9607  197.6744  237.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5234  198.2494  236.7279 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.85924669,-179.84986276,-179.97025198,-179.98059187,179.89218660,-179.78380365
202.08891308,195.27702823,240.10997537,-1.16729238,0.01622693,2.28333299

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443044/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.0683

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
-0.331711

>  <SCORE.INTRA.DIHEDRAL>
-0.0335914

>  <SCORE.INTRA.DIHEDRAL.0>
0.0339787

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.314915

>  <SCORE.INTRA.VDW.0>
-0.478095

>  <SCORE.INTRA.norm>
-0.0368567

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.22981

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.124241

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  209.0768  185.7489  254.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1948  186.7700  255.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6831  188.1854  255.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7591  188.4521  253.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1708  189.5513  253.4029 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3186  189.8326  252.0469 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5927  187.4262  252.9982 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1153  186.0063  253.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4910  187.5972  251.5417 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8399  187.7712  251.0330 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9173  190.6054  252.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0388  188.5011  251.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6721  187.8525  250.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-109.54043357,123.60344018,178.63442648,209.05006749,187.78147685,253.28798416
-2.00860697,1.00394472,-0.71034995

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443045/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.29066

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-3.10934

>  <SCORE.INTRA.DIHEDRAL>
-0.271255

>  <SCORE.INTRA.DIHEDRAL.0>
2.78158

>  <SCORE.INTRA.POLAR>
-0.803575

>  <SCORE.INTRA.POLAR.0>
-0.108539

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.241555

>  <SCORE.INTRA.VDW.0>
-0.402505

>  <SCORE.INTRA.norm>
-0.310934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.329066

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000359

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 38  0  0  0  0  0  0  0  0999 V2000
  188.4115  210.9456  256.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0465  210.7492  255.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5649  209.6661  254.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4651  208.7848  255.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8527  208.9919  256.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2885  210.0638  257.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4374  210.3080  259.6870 I   0  0  0  0  0  0  0  0  0  0  0  0
  190.7311  208.0624  257.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0627  208.3347  257.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8752  208.8188  257.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4492  207.8782  259.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3091  207.8153  260.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6717  207.4062  261.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4460  207.4591  262.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3599  208.2379  263.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4738  206.5333  261.9213 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7105  206.6871  260.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6765  207.6353  260.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9671  207.9087  259.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2854  207.2449  258.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2777  206.2447  258.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9446  205.9319  259.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0340  204.0661  259.7210 I   0  0  0  0  0  0  0  0  0  0  0  0
  188.5871  205.5236  257.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7659  205.2995  256.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8900  205.1869  256.9556 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1855  207.8892  256.6829 I   0  0  0  0  0  0  0  0  0  0  0  0
  187.1646  208.7431  262.4488 I   0  0  0  0  0  0  0  0  0  0  0  0
  190.3976  207.1368  254.4907 I   0  0  0  0  0  0  0  0  0  0  0  0
  188.1249  209.3971  253.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9252  210.2780  252.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9153  208.0947  253.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6170  212.1234  254.8829 I   0  0  0  0  0  0  0  0  0  0  0  0
  190.5936  207.0861  257.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.9760  206.1638  262.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.1220  204.6605  256.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.6137  207.8989  252.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 36  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 37  1  0  0  0  0
M  END
>  <CHROM.1>
39.56445685,107.67010535,-49.00240479,-24.56602953,-179.30048526,175.53781370
-114.57267672,-70.46853394,-76.03235675,-31.32901626,176.14625757,179.15025949
188.67024915,208.23155571,257.96435555,1.98647299,1.04307523,-1.46864524

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443046/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.62571

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-18.0257

>  <SCORE.INTRA.DIHEDRAL>
-7.65929

>  <SCORE.INTRA.DIHEDRAL.0>
21.4108

>  <SCORE.INTRA.POLAR>
-0.791415

>  <SCORE.INTRA.POLAR.0>
-0.208585

>  <SCORE.INTRA.REPUL>
0.000650476

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.5085

>  <SCORE.INTRA.VDW.0>
-4.66539

>  <SCORE.INTRA.norm>
-0.546234

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
-0.079567

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  191.0243  213.1907  243.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4732  212.8958  245.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8086  211.6859  245.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6771  210.7751  244.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1926  211.0742  243.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8881  212.2882  242.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9807  210.1805  241.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5698  208.8111  241.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9296  207.5932  241.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6913  206.4972  242.2163 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8924  206.8845  242.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2238  208.5481  242.3674 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.9134  206.1348  243.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7267  204.7917  243.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6577  204.2091  243.2041 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8885  204.0882  243.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9354  202.7762  244.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2032  202.4036  244.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6459  201.1788  245.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9359  201.0523  245.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8041  202.1324  245.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4029  203.3527  245.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1014  203.4725  244.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3948  204.8629  244.1242 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.6403  201.6425  244.2291 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.8399  209.2999  244.6503 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.7623  206.6066  243.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-62.61859695,121.56076284,-2.73319643,175.69810523,192.52110228,206.49638918
243.87136595,-2.16991241,0.37443025,-3.04424096

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443047/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.04159

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-2.35841

>  <SCORE.INTRA.DIHEDRAL>
-4.72941

>  <SCORE.INTRA.DIHEDRAL.0>
5.94956

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00629634

>  <SCORE.INTRA.VDW.0>
-2.45963

>  <SCORE.INTRA.norm>
-0.0907081

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.27083

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000328

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  206.7454  184.9375  244.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2581  185.9282  245.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3422  186.7179  245.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7928  187.6150  246.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9971  187.5577  247.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8587  186.5603  247.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4690  185.9128  246.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2900  186.8375  244.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8270  186.5899  243.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6151  187.0863  244.5858 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6468  187.1344  243.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9635  187.2685  244.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0256  187.2723  243.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7784  187.1686  241.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4690  187.0667  241.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4089  187.0491  242.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9245  187.1014  245.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
28.06664928,-173.79736313,209.74839408,186.77341137,244.63790793,2.59023773
0.34207758,1.25829753

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443048/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.55685

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.843148

>  <SCORE.INTRA.DIHEDRAL>
0.570198

>  <SCORE.INTRA.DIHEDRAL.0>
2.42784

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12825

>  <SCORE.INTRA.VDW.0>
1.84609

>  <SCORE.INTRA.norm>
-0.0526967

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.409803

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001680

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  217.6853  179.9715  246.6125 B   0  0  0  0  0  0  0  0  0  0  0  0
  218.6428  180.8987  247.4823 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.7853  181.4834  248.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5041  182.2306  248.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6909  181.4306  247.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5228  180.8440  245.9715 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.2011  181.8585  245.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3022  182.7409  245.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2963  181.9156  246.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8712  178.3919  246.3827 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1371  178.1522  245.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9050  177.6627  247.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6241  177.8494  248.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-67.27800921,60.34085306,217.62929152,180.40472709,246.89157070,-1.47182763
0.89020441,-0.25153102

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443049/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.40439

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-1.99561

>  <SCORE.INTRA.DIHEDRAL>
-0.0539412

>  <SCORE.INTRA.DIHEDRAL.0>
1.24924

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.96864

>  <SCORE.INTRA.VDW.0>
0.119764

>  <SCORE.INTRA.norm>
-0.153508

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.415722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015468

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  183.5611  209.3294  261.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4054  210.1707  261.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.2077  209.5447  261.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6585  209.5553  262.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5065  208.8275  262.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8390  208.1652  261.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3205  208.2196  260.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5172  208.9157  260.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8929  208.9149  258.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.2988  210.0998  258.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5017  207.5182  259.6679 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.0710  206.6219  258.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0617  208.7922  264.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7410  209.4012  265.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.9726  207.9786  264.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.4514  207.7014  265.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4413  206.7382  265.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.9320  206.3730  267.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4106  206.9794  268.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.3894  207.9709  268.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9021  208.3258  267.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.8704  206.5280  269.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.0262  205.6458  269.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.4457  207.1983  270.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
  175.9816  206.8610  272.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.9048  207.5474  273.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4324  207.3304  274.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.9815  207.7654  274.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.0564  207.1044  273.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.5364  207.3348  272.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6184  207.4054  263.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
95.43312690,-0.33307654,-133.54251352,-46.66582632,-172.87584268,0.14980118
178.91038200,170.83386196,178.17457904,207.98679984,265.76627617,-1.08690942
0.58749777,1.43544310

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443058/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.91204

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-5.48796

>  <SCORE.INTRA.DIHEDRAL>
1.29528

>  <SCORE.INTRA.DIHEDRAL.0>
9.09504

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.1356

>  <SCORE.INTRA.VDW.0>
7.26676

>  <SCORE.INTRA.norm>
-0.182932

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.263735

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000154

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  190.4587  223.1078  245.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5663  224.2055  246.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6967  225.2985  246.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8031  226.3719  247.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7890  226.3494  248.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6498  225.2618  248.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5248  224.1844  247.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6096  225.1776  249.2049 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9221  226.1867  250.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5356  227.3453  250.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8544  225.7953  251.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9590  225.0111  251.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5666  224.2950  250.1275 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4893  223.3044  250.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1318  222.5150  249.8746 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6173  223.3498  252.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2786  222.4300  252.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3189  222.4351  254.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3007  223.0401  254.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3666  223.0341  256.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4252  222.4125  257.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4206  221.7752  256.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3673  221.7853  254.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0120  223.8877  257.3699 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.8157  224.7060  252.6851 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.4211  224.4693  248.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3852  223.3677  247.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1399  223.5476  246.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9426  224.8250  245.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9689  225.9268  246.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1872  225.7466  248.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4029  226.2821  252.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0285  226.6859  253.7443 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8397  227.5202  246.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1027  224.2918  249.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 12 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <CHROM.1>
-6.92179054,40.54696398,-141.90911876,25.06499833,194.40371502,224.40907273
251.38003317,-2.08735273,-0.51428029,1.51560231

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443059/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.48098

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.276471

>  <SCORE.INTRA>
-4.91902

>  <SCORE.INTRA.DIHEDRAL>
-10.7895

>  <SCORE.INTRA.DIHEDRAL.0>
23.1465

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.475715

>  <SCORE.INTRA.VDW.0>
-2.81418

>  <SCORE.INTRA.norm>
-0.144677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.131794

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  215.9400  186.3380  250.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9446  185.8539  249.5636 P   0  0  0  0  0  0  0  0  0  0  0  0
  216.2027  186.3556  248.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4830  185.6088  247.0040 P   0  0  0  0  0  0  0  0  0  0  0  0
  217.6891  184.6641  247.1028 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5090  183.6669  248.2560 P   0  0  0  0  0  0  0  0  0  0  0  0
  216.9541  184.3185  249.5327 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3937  182.0861  247.7450 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.2587  182.7732  248.6519 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.8114  184.7491  246.3260 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.8354  186.9659  245.5703 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.5631  186.5225  249.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9681  187.4956  248.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2743  187.9947  248.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1915  187.5328  249.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8028  186.5978  250.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4932  186.1013  250.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8092  188.1158  249.6008 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-111.44544465,217.94309850,185.42943235,248.32923037,2.77266036,0.56584454
2.83885893

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443060/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38469

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-0.0153102

>  <SCORE.INTRA.DIHEDRAL>
-0.0259035

>  <SCORE.INTRA.DIHEDRAL.0>
6.04599

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00235843

>  <SCORE.INTRA.VDW.0>
-1.99598

>  <SCORE.INTRA.norm>
-0.000850564

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.354705

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  203.0011  206.0024  246.8347 B   0  0  0  0  0  0  0  0  0  0  0  0
  203.5519  206.9521  245.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7093  208.4337  246.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1701  209.5096  245.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1704  210.9436  245.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7990  211.3185  246.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4474  210.3621  247.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3734  208.9190  246.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8550  206.2645  244.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0704  206.3050  245.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3527  205.7406  245.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1531  204.2978  244.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9857  204.2213  243.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7095  204.7524  244.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2892  206.9706  244.3103 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.9552  205.5228  247.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0325  206.4012  248.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5562  205.9704  247.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9819  204.7321  246.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-78.67533737,91.68701672,109.46642261,-177.83237002,-68.82157702,203.81596525
207.00986159,245.94710052,0.97561150,-0.45580534,3.11133087

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443061/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.92265

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-1.47735

>  <SCORE.INTRA.DIHEDRAL>
-1.23833

>  <SCORE.INTRA.DIHEDRAL.0>
2.98331

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.858183

>  <SCORE.INTRA.VDW.0>
-3.68843

>  <SCORE.INTRA.norm>
-0.0777551

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.469613

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 48  0  0  0  0  0  0  0  0999 V2000
  199.1718  202.8543  253.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6551  202.6953  252.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3621  202.0387  253.7248 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0877  203.4163  251.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4916  203.3773  251.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8566  204.2339  250.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5981  205.3689  250.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6763  206.2269  249.4265 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4375  206.4922  248.6544 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2948  206.4456  247.3665 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4260  205.9692  248.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5027  205.4453  248.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4304  207.7367  246.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3625  208.7527  246.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2751  209.8242  246.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5418  208.5302  247.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4651  208.7325  249.1041 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1856  209.1196  249.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3402  210.0764  250.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9749  210.4718  251.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2795  209.3630  251.9294 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.9424  209.8704  252.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8420  209.4828  252.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0995  210.7918  253.4925 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0114  208.2253  251.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8165  208.0206  247.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1081  207.6790  246.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6289  206.8700  245.9539 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.7947  207.0926  247.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8387  207.7543  248.2263 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8761  206.4946  248.2079 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1234  206.5926  249.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3863  207.1322  250.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3954  205.9136  250.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2576  204.1399  250.0424 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.1459  205.2004  248.6950 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.2069  203.8213  249.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2477  205.8678  251.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3242  205.2525  252.8237 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6979  207.1324  251.6445 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6779  208.0359  246.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2720  211.1368  253.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6192  207.4612  251.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9068  207.8521  250.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5345  206.0168  247.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1073  207.4694  252.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 37  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  6  0  0  0
 10 11  1  0  0  0  0
 10 13  1  1  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 45  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 46  1  0  0  0  0
M  END
>  <CHROM.1>
179.41820140,-178.97609699,113.19009245,9.54541387,86.06193386,-86.04905081
-0.66703458,-143.38800539,-176.63693026,70.36662616,176.66675355,110.94934289
175.30781650,-179.79730158,-179.74891183,-73.06188740,179.01361411,204.68816280
206.64117497,249.74761995,-2.91256370,0.35119989,-0.45710073

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443062/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.1962

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.51

>  <SCORE.INTRA>
-7.20378

>  <SCORE.INTRA.DIHEDRAL>
-4.5067

>  <SCORE.INTRA.DIHEDRAL.0>
21.4541

>  <SCORE.INTRA.POLAR>
-0.60426

>  <SCORE.INTRA.POLAR.0>
-1.25684

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.89595

>  <SCORE.INTRA.VDW.0>
-5.59193

>  <SCORE.INTRA.norm>
-0.180095

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.329905

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000179

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  205.2976  187.5715  243.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5796  188.3240  243.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7864  187.7876  243.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1275  186.3188  243.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1647  185.9699  242.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4244  186.8267  243.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0954  188.3169  242.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0334  188.6262  244.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3382  189.5071  244.9372 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4330  189.7741  245.9241 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6361  190.7771  246.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8296  191.0588  247.7157 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8141  191.4341  246.6922 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3639  190.0409  243.4314 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.5389  189.3006  245.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4781  191.0134  246.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.0973  192.1041  247.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
-174.06426889,208.16207302,188.90662760,244.46585980,1.62826462,0.24996622
-2.41814280

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443063/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.35527

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.0447253

>  <SCORE.INTRA.DIHEDRAL>
0.0100457

>  <SCORE.INTRA.DIHEDRAL.0>
0.0242139

>  <SCORE.INTRA.POLAR>
2.63611e-12

>  <SCORE.INTRA.POLAR.0>
-0.107277

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0497481

>  <SCORE.INTRA.VDW.0>
-0.73379

>  <SCORE.INTRA.norm>
-0.00319466

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.453948

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000344

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  218.0029  182.4450  243.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1019  183.6573  244.4826 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.8769  183.6999  245.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0762  184.6337  245.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8286  182.6624  246.3519 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6137  182.7016  247.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2503  183.6261  248.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9297  183.6621  249.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0017  182.8035  249.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4114  181.9220  248.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7292  181.8677  247.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2964  181.0589  246.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8224  180.4550  245.8600 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.3129  183.5844  245.2538 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5591  184.6538  246.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8757  185.6665  246.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8175  184.4190  246.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1933  185.6254  247.7323 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.4938  185.3888  248.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0873  185.1165  249.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6900  185.6297  250.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2049  185.9087  248.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5965  181.7539  245.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-118.23162025,176.22748270,79.22491952,70.83390699,-4.46639632,176.39367412
-178.83408233,219.08654914,183.71751738,247.19200184,-2.74064854,0.86113972
2.13544767

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443064/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.40286

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-6.99714

>  <SCORE.INTRA.DIHEDRAL>
-2.93275

>  <SCORE.INTRA.DIHEDRAL.0>
6.068

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.53077

>  <SCORE.INTRA.VDW.0>
-0.602889

>  <SCORE.INTRA.norm>
-0.318052

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.245584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000243

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  199.2091  200.0590  248.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6338  201.4268  249.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3263  201.5340  250.8660 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8993  200.4746  251.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5344  199.0871  251.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8680  198.9111  249.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3939  198.8069  249.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7815  198.4673  248.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2983  198.4351  247.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6431  198.1733  246.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1465  198.2153  246.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4336  197.9730  244.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8899  199.0202  243.8567 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6869  199.7246  242.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8972  199.5516  242.8873 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9368  200.7679  242.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7872  202.0497  242.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9951  201.8358  244.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6226  201.7755  245.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9794  201.5883  246.6695 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6325  201.4645  246.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9131  201.5008  245.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6055  201.6852  244.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3975  202.5024  251.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7973  203.2037  250.4452 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0674  202.7232  252.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9623  203.5337  252.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6007  203.7758  254.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3275  203.1929  255.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4475  202.4152  255.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8434  202.2225  253.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8887  199.1658  243.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-64.32997535,177.39848422,-176.71412076,176.49226576,-178.96901387,63.92015069
124.45665835,83.02268102,-61.81409089,104.60582456,-168.73772534,201.58424550
200.79767926,248.25983919,-2.88421376,0.90412631,-0.58124609

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443065/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.1876

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.529032

>  <SCORE.INTRA>
-4.21235

>  <SCORE.INTRA.DIHEDRAL>
-3.05903

>  <SCORE.INTRA.DIHEDRAL.0>
7.52878

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.68284

>  <SCORE.INTRA.VDW.0>
-1.23694

>  <SCORE.INTRA.norm>
-0.135882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.39315

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006332

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  204.1779  186.2551  239.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5814  187.2420  240.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5556  186.6218  241.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9877  187.5735  242.5368 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0231  187.0552  243.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1260  185.8433  244.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1285  185.4329  244.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9856  186.2128  245.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8576  187.4048  244.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8698  187.8243  243.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9097  185.7960  246.1170 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9078  184.7382  245.5930 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.5046  184.0810  246.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5336  183.3722  247.0713 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5452  184.4039  247.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5953  183.8944  249.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3920  185.3592  247.4289 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5238  185.9362  248.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5858  187.4791  248.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7493  188.3348  247.1435 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1593  189.6669  247.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1867  188.5074  246.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4276  183.6925  244.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3620  182.4852  244.8339 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8177  184.1471  243.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8928  183.6215  242.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3645  184.3473  241.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8664  185.6199  241.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6991  186.0530  241.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1290  185.2708  242.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5592  186.5202  240.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8967  185.9122  239.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4168  184.4735  239.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3457  183.8339  240.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  8  1  6  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 34  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
-178.89664180,177.85092815,44.72336608,-80.57520379,121.88439947,49.57289917
-64.89514656,152.09323760,144.01773611,199.35468307,185.74922303,244.11411584
-0.91321814,0.75218087,1.17859507

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443074/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.04634

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.423529

>  <SCORE.INTRA>
-7.35366

>  <SCORE.INTRA.DIHEDRAL>
-1.56137

>  <SCORE.INTRA.DIHEDRAL.0>
13.7082

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.57297

>  <SCORE.INTRA.VDW.0>
-2.01241

>  <SCORE.INTRA.norm>
-0.216284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.207245

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000120

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  224.1752  177.3614  249.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0183  177.4436  247.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6544  178.0204  247.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4937  178.1068  246.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1545  178.6659  245.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2788  177.9860  244.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9933  178.5283  244.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0901  177.8791  243.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7326  178.4596  243.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9147  178.7436  244.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9165  179.7673  242.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9556  177.4622  242.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
179.90603713,179.71633342,-120.62906833,-179.84514699,-61.00839711,219.78477515
178.20057875,245.28191588,0.59783660,0.07025541,1.84681247

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443075/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.377

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-0.023021

>  <SCORE.INTRA.DIHEDRAL>
0.000639588

>  <SCORE.INTRA.DIHEDRAL.0>
2.3995

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0233407

>  <SCORE.INTRA.VDW.0>
0.21645

>  <SCORE.INTRA.norm>
-0.00191841

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.864748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009793

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  222.9160  186.7278  237.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6203  186.4401  238.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0165  185.7419  239.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7774  185.5053  241.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1309  185.8393  241.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7442  186.4560  240.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9806  186.8132  238.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1041  186.5243  240.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.7439  187.6287  239.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2643  189.0082  239.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2196  189.4496  241.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6002  190.6627  241.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0200  191.4434  240.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0878  191.0328  239.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7081  189.8260  238.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6247  185.1601  239.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2367  184.6749  238.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7375  185.1496  241.0220 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.9013  186.3473  242.0026 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.6463  186.3976  242.7817 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6659  185.6616  242.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5821  185.3553  242.5880 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2587  185.2053  240.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5713  184.9793  239.8543 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2826  187.5140  243.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4553  187.1532  244.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9847  186.9482  244.6191 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.9557  186.2757  243.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1972  186.3917  245.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3458  188.1981  244.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3331  187.6684  241.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5016  188.2971  241.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0618  189.3836  241.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4618  189.8463  240.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2774  189.2868  239.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6943  188.2260  240.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0425  190.8302  239.3103 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 18 16  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  6  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
M  CHG  1  27   1
M  END
>  <CHROM.1>
36.32820104,-149.78070714,54.12833123,54.20235933,33.58610907,-123.23800383
-147.29983102,-79.28121181,51.65623562,222.22508131,187.43176967,240.97577370
-0.05097879,-0.47407266,-2.64309183

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443076/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39752

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-9.00248

>  <SCORE.INTRA.DIHEDRAL>
1.85075

>  <SCORE.INTRA.DIHEDRAL.0>
9.63416

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.82785

>  <SCORE.INTRA.VDW.0>
-1.58178

>  <SCORE.INTRA.norm>
-0.250069

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.149931

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006327

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  190.3335  206.4024  248.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1880  206.9736  247.2646 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.9047  205.9209  246.3034 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4911  204.6950  246.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3676  203.8877  245.4687 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2524  204.4695  247.4794 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2513  205.2097  248.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8955  204.8503  249.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4270  207.7936  246.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4231  209.0084  246.7529 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5464  207.0579  246.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3075  206.0916  245.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.7629  203.5955  247.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3190  207.6064  246.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  6  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
-110.94061542,179.93530277,191.04700404,206.02723431,247.26217279,-1.11991495
1.19636184,2.62854354

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443078/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.58733

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-2.81267

>  <SCORE.INTRA.DIHEDRAL>
-1.53584

>  <SCORE.INTRA.DIHEDRAL.0>
2.41842

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.04475

>  <SCORE.INTRA.VDW.0>
1.16141

>  <SCORE.INTRA.norm>
-0.255697

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.326121

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.113174

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  200.7455  197.4783  249.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0061  197.0400  249.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9821  196.6734  248.8846 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1697  196.2480  249.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4111  196.1364  250.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0052  195.8996  248.3605 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1891  195.2978  248.6340 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8948  194.9026  247.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1910  194.2332  247.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9505  193.8105  246.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1797  193.1895  246.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6471  192.9896  248.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8793  193.4090  249.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6512  194.0274  249.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3352  192.5595  245.3825 I   0  0  0  0  0  0  0  0  0  0  0  0
  204.6397  195.9447  247.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-179.58365358,2.04450956,175.12127450,-179.88207659,208.21865983,194.14048578
247.36855975,2.72872362,-0.43229446,1.50807112

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443079/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.88996

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-2.51004

>  <SCORE.INTRA.DIHEDRAL>
-4.60241

>  <SCORE.INTRA.DIHEDRAL.0>
4.6917

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.208838

>  <SCORE.INTRA.VDW.0>
0.95819

>  <SCORE.INTRA.norm>
-0.167336

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.45933

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000199

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  201.6642  210.5309  244.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9764  210.9099  243.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7902  211.1527  242.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5043  212.4399  242.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3875  212.6783  240.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5571  211.6292  239.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8318  210.3431  240.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9498  210.1048  241.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4379  211.9275  238.0596 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
91.27034773,202.53449945,211.38649833,241.00922427,-1.66858899,1.38496372
-1.28392410

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443080/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.32154

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.0784623

>  <SCORE.INTRA.DIHEDRAL>
-0.089721

>  <SCORE.INTRA.DIHEDRAL.0>
0.764824

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0336018

>  <SCORE.INTRA.VDW.0>
-0.05411

>  <SCORE.INTRA.norm>
-0.00871804

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.702393

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004735

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  210.6834  185.4649  247.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4298  184.6244  247.8298 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.4575  183.8801  249.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9101  184.3463  250.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9992  182.5903  249.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2731  185.4799  247.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0787  184.8500  247.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8939  183.6462  247.8882 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9789  185.8527  247.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2025  187.2384  247.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1241  188.1480  247.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8208  187.6555  247.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6003  186.2705  247.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6675  185.3758  247.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4289  188.6207  247.4012 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.4779  189.8590  248.1961 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.7822  190.6990  247.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2039  189.9956  249.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1239  190.0620  248.0037 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7682  190.0702  246.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8068  188.9720  246.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2616  189.0357  248.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0727  189.5932  249.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6560  181.8198  249.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1382  182.4319  248.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
37.57502641,171.29428993,105.56362183,4.21994801,-1.15383829,137.64522842
71.74570921,206.62887142,187.29316328,248.05665745,-0.82666750,-0.09203103
-0.07079488

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443081/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.8668

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-6.5332

>  <SCORE.INTRA.DIHEDRAL>
-7.93678

>  <SCORE.INTRA.DIHEDRAL.0>
12.2062

>  <SCORE.INTRA.POLAR>
-0.607342

>  <SCORE.INTRA.POLAR.0>
-0.00993118

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.499848

>  <SCORE.INTRA.VDW.0>
-2.07144

>  <SCORE.INTRA.norm>
-0.284052

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.255078

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000525

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  188.4660  218.7291  259.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2928  219.5759  258.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0809  219.5246  256.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8691  220.7274  256.6725 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4438  221.7634  255.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3717  221.8385  255.2919 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5198  222.7846  255.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3755  223.8596  254.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3911  224.8825  254.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5875  224.8652  255.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5037  225.9136  255.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2669  226.9247  254.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0882  226.9265  253.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1426  225.9165  253.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6386  226.0475  256.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3985  226.5248  257.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6277  225.5011  258.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2483  224.3220  258.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5138  223.3598  259.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1651  223.5781  259.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5342  224.7425  259.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2655  225.7069  258.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4613  222.6487  260.2323 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.8909  222.3178  256.6746 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.1480  220.8020  257.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7431  219.9536  257.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
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M  END
>  <CHROM.1>
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191.57838949,223.33429603,256.91140885,-2.42784576,-0.80891132,-0.98404854

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443090/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.00804

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.78699

>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.322768

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.115694

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001918

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  214.5747  180.5858  252.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4595  180.0359  250.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2403  180.9990  249.8743 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.1049  180.1201  247.9499 P   0  0  1  0  0  0  0  0  0  0  0  0
  211.7339  180.7615  247.7881 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5067  181.2603  247.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9695  179.2412  246.0254 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.9809  177.7114  246.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4669  176.7763  247.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5908  177.1870  248.6428 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3447  177.0982  249.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5546  177.6344  250.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1591  177.8974  248.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7573  176.4596  249.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6485  174.9229  249.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1392  176.8667  248.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  6  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
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-176.19870357,-59.80798324,212.98162340,178.80269420,248.62652407,-0.59728671
1.27141477,2.50052655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443091/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.77871

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.548669

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017613

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 40  0  0  0  0  0  0  0  0999 V2000
  221.6777  185.4370  249.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1922  185.0682  248.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0322  183.9257  248.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9548  186.1788  247.7547 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4498  186.0216  246.4058 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.3830  187.4170  245.7657 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.6846  187.3407  244.3947 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.4177  186.6844  244.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4148  185.3707  245.0212 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.0641  185.3490  246.4294 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.2595  185.8720  247.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1392  185.2338  247.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7663  184.1343  247.5555 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5075  186.0251  249.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0409  184.9150  245.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4301  184.8501  243.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9575  185.1421  242.8100 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0102  184.4283  243.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4469  184.1699  245.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1460  183.6505  245.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3747  183.4939  244.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9474  183.7115  242.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2719  184.1371  242.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6885  183.3616  246.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5647  182.9476  247.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3553  181.8451  247.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2766  181.3313  248.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4140  181.9210  249.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6068  183.0017  249.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6636  183.4970  248.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5067  186.7266  243.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7321  186.7122  243.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7368  186.1798  242.2834 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7105  187.9866  245.6127 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8354  189.2584  245.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9149  190.0111  244.8644 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2839  189.6411  245.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7679  186.1866  242.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  6  0  0  0
  7  8  1  0  0  0  0
  7 31  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  1  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <CHROM.1>
-178.63826371,-175.26605976,-175.50780978,-26.07271511,60.13430478,-164.94634287
8.15480330,-0.15443787,0.91586545,-31.70092031,-54.07457130,-5.31581628,2.01208020
217.74322749,185.28710924,245.98113024,-0.29360691,0.47098550,1.91372779

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443092/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0694203

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47027

>  <SCORE.INTRA>
-17.4694

>  <SCORE.INTRA.DIHEDRAL>
-31.9247

>  <SCORE.INTRA.DIHEDRAL.0>
39.752

>  <SCORE.INTRA.POLAR>
-0.619799

>  <SCORE.INTRA.POLAR.0>
-0.463277

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.600247

>  <SCORE.INTRA.VDW.0>
-3.99317

>  <SCORE.INTRA.norm>
-0.472146

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
-0.00187622

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011372

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  207.9082  187.5488  246.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9006  188.5525  246.8617 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9173  188.4622  247.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5673  189.6611  248.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5576  189.6923  249.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8692  188.5246  249.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2209  187.3235  249.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2398  187.2936  248.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7534  188.5662  250.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2398  188.4472  252.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0891  189.3531  253.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6888  189.0155  254.4022 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2860  187.8567  254.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0820  187.0621  252.7836 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.0668  187.2160  255.2209 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3357  187.8391  256.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9789  188.9646  256.7539 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2059  187.0387  257.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5409  187.5821  258.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3744  186.9679  259.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6414  187.6996  260.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4638  187.1754  261.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0394  185.9183  261.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7989  185.1905  260.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9779  185.7155  259.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5021  186.3497  254.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
135.22909219,-85.80375811,119.75244013,-2.97732942,178.82573384,178.69905722
205.63344842,187.75848017,253.92861172,-1.79373411,-0.33657695,1.63697021

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443094/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.77435

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-3.62565

>  <SCORE.INTRA.DIHEDRAL>
-5.5994

>  <SCORE.INTRA.DIHEDRAL.0>
9.20235

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.825951

>  <SCORE.INTRA.VDW.0>
0.554765

>  <SCORE.INTRA.norm>
-0.145026

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.310974

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000996

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  187.5333  214.3824  250.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8989  214.7103  251.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3329  213.5120  252.7774 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.1388  212.3905  251.8918 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3771  212.8718  250.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7683  213.2990  254.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2260  212.1435  255.0056 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5072  212.2829  255.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6881  212.9081  254.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7506  214.1427  254.8437 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6797  212.1213  254.3460 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8137  212.7848  253.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8226  212.6966  252.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6825  211.8240  251.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6144  211.7840  250.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7108  212.5418  249.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8159  213.3731  250.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8713  213.4447  251.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8141  212.3610  248.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9186  211.4365  247.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3869  211.0169  249.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7895  210.6784  254.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7086  209.9514  253.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5366  208.9808  252.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1392  208.5811  251.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0085  209.2431  250.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4379  210.3432  252.1331 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.4276  211.0034  254.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3425  211.0500  254.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9072  209.8678  255.5320 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6831  208.8654  254.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8241  208.4096  255.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6012  207.3940  255.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2618  206.8342  253.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1454  207.2894  253.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3598  208.3079  253.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0067  205.8517  253.2636 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.6768  206.9504  255.6781 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.3884  209.5527  256.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  1  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 39  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <CHROM.1>
-178.70510236,82.98332492,-45.91878723,82.98976787,-107.98438174,121.06722321
-103.99478102,129.73961026,-92.10893011,133.39677680,189.54264414,210.93511953
252.75571327,0.90136324,0.70221891,-0.46641624

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443095/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.96984

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-10.4302

>  <SCORE.INTRA.DIHEDRAL>
-0.578606

>  <SCORE.INTRA.DIHEDRAL.0>
9.22556

>  <SCORE.INTRA.POLAR>
0.238863

>  <SCORE.INTRA.POLAR.0>
-0.238863

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.953

>  <SCORE.INTRA.VDW.0>
-3.71882

>  <SCORE.INTRA.norm>
-0.274478

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.130785

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000474

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  202.2068  203.8573  240.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1390  202.7417  241.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9837  202.4290  242.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1487  201.5195  243.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1131  201.2204  244.7200 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0558  201.7216  245.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9350  202.7342  245.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8949  203.1679  243.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6106  204.0817  243.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8483  203.2986  246.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9201  202.8140  247.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0600  201.7891  247.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1204  201.2579  246.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8285  203.4335  248.2294 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4517  202.5741  249.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4211  203.3931  250.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7130  204.5035  250.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8283  203.9418  251.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7421  205.4675  251.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2535  200.7823  242.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5377  200.4305  244.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3117  201.0446  241.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
90.79600823,-1.64189912,-145.77967541,-179.30327948,61.74914063,69.23700232
204.32492139,202.85817393,246.20320547,-2.30791842,0.82346507,1.95184815

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443096/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0885

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-0.311473

>  <SCORE.INTRA.DIHEDRAL>
0.536538

>  <SCORE.INTRA.DIHEDRAL.0>
2.15485

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.579742

>  <SCORE.INTRA.VDW.0>
1.53456

>  <SCORE.INTRA.norm>
-0.0155736

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.504426

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000502

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  186.4290  219.6478  266.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9450  219.3949  266.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4549  218.0704  266.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0859  217.8347  265.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1836  218.8942  265.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6477  220.1985  266.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0144  220.4509  266.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4856  222.1126  266.3015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.3215  216.9616  266.2122 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3067  215.9071  265.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6121  215.7074  264.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3493  214.9846  265.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8699  215.4759  266.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1884  216.7332  267.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3743  217.3573  268.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8592  214.8151  267.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3407  213.6293  267.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8376  213.1370  265.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8207  213.8185  265.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6980  212.6655  268.0019 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-132.59085389,186.37560243,216.42947426,266.66423819,-2.32254758,0.58839625
-2.85751538

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443097/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.98132

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.418675

>  <SCORE.INTRA.DIHEDRAL>
-2.3534

>  <SCORE.INTRA.DIHEDRAL.0>
10.0063

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.758024

>  <SCORE.INTRA.VDW.0>
-1.32279

>  <SCORE.INTRA.norm>
-0.0209338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.299066

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000333

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  199.4912  203.6224  246.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9878  202.0871  247.1389 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.5187  201.6593  248.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4997  200.8569  247.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7162  200.5958  248.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9632  201.1301  249.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9888  201.9217  249.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7637  202.1830  249.3032 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.8689  202.8917  249.8840 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.2419  202.5016  251.6576 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.5446  201.1204  252.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4925  200.8147  250.0935 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.9195  199.6010  247.2593 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.1931  200.1648  245.8187 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
>  <CHROM.1>
-89.59160835,-88.53804543,201.79094528,201.34158590,248.63723195,2.23050544
0.50055289,-1.91462942

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443099/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.50405

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.895947

>  <SCORE.INTRA.DIHEDRAL>
-0.369035

>  <SCORE.INTRA.DIHEDRAL.0>
3.96739

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.711429

>  <SCORE.INTRA.VDW.0>
-0.483999

>  <SCORE.INTRA.norm>
-0.0639962

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.464575

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000424

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  212.1316  202.7023  251.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8687  203.9427  251.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4292  204.3514  251.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0190  205.5465  251.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5794  205.9547  251.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1774  206.2768  253.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7081  206.6830  253.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2923  207.0113  254.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8224  207.4143  254.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4247  207.7382  256.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9583  208.1550  256.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5467  208.4872  257.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0801  208.8988  257.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6713  209.2283  259.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2835  209.6038  259.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7816  209.9415  260.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4431  209.9780  261.4049 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3273  210.3605  260.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1367  211.4333  259.4430 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.5311  209.3685  259.7727 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
120.63346654,120.03809875,-179.65125909,-179.85262663,-179.91377140,179.98300255
179.71445595,-179.84409699,-179.77612334,179.96437866,-179.88826070,-179.37915360
2.32644846,-59.56861219,203.69802164,207.75320656,256.13919723,-0.46553885
-0.51507871,1.76494895

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443100/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.3465

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.97

>  <SCORE.INTRA>
-2.05347

>  <SCORE.INTRA.DIHEDRAL>
-2.15583

>  <SCORE.INTRA.DIHEDRAL.0>
3.21824

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.975558

>  <SCORE.INTRA.VDW.0>
-0.426974

>  <SCORE.INTRA.norm>
-0.102674

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.867326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.061135

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  211.0515  191.4939  241.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2444  192.9088  242.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8098  193.2973  243.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9986  194.6102  243.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6183  195.5600  243.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0412  195.1679  241.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8559  193.8562  241.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8569  196.9737  243.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5733  194.9801  245.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1693  194.2106  245.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
0.01732510,211.31562436,194.32798395,242.96309557,1.65137217,-1.09718947
-2.55011782

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443101/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39916

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.000843831

>  <SCORE.INTRA.DIHEDRAL>
-0.00269056

>  <SCORE.INTRA.DIHEDRAL.0>
0.00269093

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000501449

>  <SCORE.INTRA.VDW.0>
0.355246

>  <SCORE.INTRA.norm>
-9.3759e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.599906

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004623

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  197.7756  222.1519  261.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7241  223.6720  261.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0315  224.2561  261.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0801  225.7872  261.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0496  226.4103  260.4327 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.1530  227.9402  260.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6306  228.6090  261.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9328  228.5084  259.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2447  225.9527  259.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7611  224.6880  258.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5975  223.7539  258.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1332  222.4628  257.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8466  222.0549  258.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0009  222.9479  258.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4302  224.2855  259.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8550  225.7477  258.3852 I   0  0  0  0  0  0  0  0  0  0  0  0
  194.7162  222.5622  259.3444 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5748  221.9820  260.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8691  220.8351  260.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0116  222.9484  261.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2286  220.1186  257.7198 I   0  0  0  0  0  0  0  0  0  0  0  0
  200.5438  224.2462  257.5536 I   0  0  0  0  0  0  0  0  0  0  0  0
  199.2565  227.8450  258.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0501  222.2653  258.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
178.58265987,-63.84014318,177.22700526,-81.07037188,78.48402908,4.35242075
-129.48067166,87.11102307,-75.75332805,197.20078552,223.77698757,258.80006931
-2.04254623,0.25257676,0.27835993

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443102/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.74362

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.609091

>  <SCORE.INTRA>
-3.65638

>  <SCORE.INTRA.DIHEDRAL>
-0.496994

>  <SCORE.INTRA.DIHEDRAL.0>
8.18094

>  <SCORE.INTRA.POLAR>
-0.0140684

>  <SCORE.INTRA.POLAR.0>
-0.252382

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.36005

>  <SCORE.INTRA.VDW.0>
-3.33778

>  <SCORE.INTRA.norm>
-0.166199

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.442892

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000251

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  207.7194  209.8335  258.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1601  211.3298  258.8992 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.3073  212.1015  257.4645 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.1979  213.3289  257.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1815  214.3847  257.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4582  213.7485  255.8758 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.6580  212.1482  255.9666 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.4621  211.1729  255.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1148  211.8315  255.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0278  213.2748  256.3028 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0270  214.1894  255.5755 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8549  215.6797  255.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4471  216.1465  255.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5003  215.3169  256.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6997  215.9441  257.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7356  215.1992  258.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0575  215.7927  259.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5563  213.7221  257.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8990  213.1261  257.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5577  213.7896  256.3000 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.7920  213.3435  255.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2478  211.9404  254.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1267  211.9324  259.9023 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6153  212.0818  259.3880 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7322  210.8549  259.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1093  210.1405  258.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9520  213.3527  259.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2409  214.6336  259.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5782  215.7662  259.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6071  215.6549  260.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3219  214.4041  261.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9957  213.2571  260.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2200  211.1609  261.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1182  211.2730  261.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 23  1  0  0  0  0
  3  2  1  1  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  6  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 23 24  1  0  0  0  0
 23 33  1  1  0  0  0
 24 25  1  1  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
-158.19761560,-65.53899824,88.52178216,62.31474477,-120.08808603,76.54001129
205.23572012,213.31743063,257.88246247,0.01261370,-0.58340736,1.89382474

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443103/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.54394

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-2.54827

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.58192

>  <SCORE.INTRA.VDW.0>
-1.68554

>  <SCORE.INTRA.norm>
-0.207759

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.107392

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023677

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  205.5393  197.4714  238.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4741  198.0612  239.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0843  197.6610  238.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7448  197.6123  240.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6392  198.4181  242.1315 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.1011  200.0957  241.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8722  200.6901  242.7274 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2195  201.9544  242.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8166  202.5937  241.3511 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0450  201.9180  240.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6677  200.6528  240.6994 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5991  202.5905  239.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4940  204.1124  238.8348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.8923  201.4712  237.7937 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.8493  202.9819  239.2463 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.1595  202.7014  243.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6157  201.7286  244.8680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.6751  203.1354  242.5593 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.3720  204.2084  244.0092 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
173.48260470,-60.38441009,-105.11524577,-2.40938661,12.42821614,204.69329290
201.50763127,241.11852142,-2.73555903,-1.07237165,-0.10638184

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443104/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.32663

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.10925

>  <SCORE.INTRA.VDW.0>
-2.69673

>  <SCORE.INTRA.norm>
-0.056493

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.490875

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  196.1650  220.8731  254.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1670  219.7367  254.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5772  218.4891  255.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5126  217.3217  254.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0625  216.0077  255.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7394  215.5248  254.5728 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8084  215.4024  253.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0722  216.1750  252.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0990  216.1024  250.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3736  216.9307  250.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3969  216.9294  248.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1301  218.1189  248.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3327  218.0427  247.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0579  219.2153  246.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2992  219.5303  247.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3914  220.5452  248.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6182  220.8325  249.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3384  220.7489  250.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1847  219.3087  251.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8766  218.7022  250.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7580  217.7512  250.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8096  219.3290  251.3852 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3900  214.2372  255.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9537  218.9483  251.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2455  214.3296  256.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
118.41627304,113.66828286,55.91735926,-115.01314805,62.60000440,-177.74481788
-107.00905721,109.04698388,112.43791934,-102.68234092,-119.31078778,74.31973395
-72.91258319,115.60512059,-179.71380636,195.92288838,218.07953634,251.38623077
-1.83198829,-0.86787307,-1.33429410

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443105/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.2145

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-5.18554

>  <SCORE.INTRA.DIHEDRAL>
1.54352

>  <SCORE.INTRA.DIHEDRAL.0>
2.43923

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.9573

>  <SCORE.INTRA.VDW.0>
-0.0637633

>  <SCORE.INTRA.norm>
-0.225458

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.574542

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011320

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  198.4901  205.4903  244.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1869  205.1104  246.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8075  206.3240  246.7651 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3569  205.9243  248.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6406  205.5157  248.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4433  205.6144  247.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1338  206.3283  245.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9230  206.5008  245.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8890  206.8839  245.9715 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3268  204.9357  249.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2514  203.4930  249.3484 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0264  202.9141  248.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8596  203.4814  247.7143 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8867  201.4340  248.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9082  200.7283  247.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9369  199.3344  247.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9475  198.6264  248.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9221  199.3132  249.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8632  200.7197  249.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4405  201.4280  249.9239 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.5727  202.1374  248.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3172  202.8628  248.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4906  206.0501  249.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8769  205.8713  250.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2416  206.4491  248.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3126  206.6389  250.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9541  207.0673  249.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3988  205.2720  247.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6723  207.3869  245.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
174.02253777,-173.02647355,94.62043505,71.35519547,6.63825634,-163.08084375
66.73164290,-177.92826858,-178.57812764,-179.34942972,200.88663121,203.93777083
248.18943039,-2.25320672,-0.54688727,2.62689508

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443114/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.895

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57037

>  <SCORE.INTRA>
-8.505

>  <SCORE.INTRA.DIHEDRAL>
-12.9443

>  <SCORE.INTRA.DIHEDRAL.0>
17.6277

>  <SCORE.INTRA.POLAR>
-0.279876

>  <SCORE.INTRA.POLAR.0>
-0.0401003

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08128

>  <SCORE.INTRA.VDW.0>
-1.07012

>  <SCORE.INTRA.norm>
-0.315

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.25537

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  189.5315  206.9226  261.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1227  207.3477  261.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0649  207.9055  262.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6493  208.3319  263.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1368  209.3982  262.4028 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2012  209.1192  261.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7815  207.9750  261.2872 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8357  210.2244  260.7013 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.8169  210.2333  259.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6513  211.3212  258.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6581  211.2424  257.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8381  210.1174  257.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9814  209.0728  258.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9442  209.1407  259.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8186  210.0038  256.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4826  212.5767  258.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4918  210.3342  262.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.4793  210.9970  260.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-179.82593360,-62.05278749,104.60855664,-168.51298665,184.80483909,209.40368485
260.18146428,0.40753139,0.62364081,3.07351758

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443115/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.13044

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-0.269558

>  <SCORE.INTRA.DIHEDRAL>
-0.601667

>  <SCORE.INTRA.DIHEDRAL.0>
2.06488

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.031276

>  <SCORE.INTRA.VDW.0>
-0.471364

>  <SCORE.INTRA.norm>
-0.0168473

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.570653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000049

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  207.5955  199.4823  251.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2325  200.0126  249.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6298  200.0765  249.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2390  200.5674  248.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4448  201.0068  247.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0513  200.9368  247.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4491  200.4437  248.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2200  201.6051  246.0370 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.4258  202.6862  245.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6471  201.7148  246.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9695  200.0224  244.7692 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <CHROM.1>
-144.76899343,209.46917449,200.80507116,247.21856801,2.03476225,0.46640630
1.60534857

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443116/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31631

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0836908

>  <SCORE.INTRA.DIHEDRAL>
-0.100886

>  <SCORE.INTRA.DIHEDRAL.0>
1.25665

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0332478

>  <SCORE.INTRA.VDW.0>
-0.700061

>  <SCORE.INTRA.norm>
-0.00760826

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.57421

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002353

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  197.5168  211.0571  250.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2836  210.0031  250.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1962  210.4024  252.2819 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.5563  212.0090  252.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6775  212.2061  251.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9699  212.9071  253.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4585  214.1585  253.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8662  215.1756  254.4629 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.7916  214.6047  255.4434 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2611  213.3197  255.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0473  213.1002  256.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0357  214.3052  257.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3138  215.2743  256.4929 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8720  212.5256  254.3738 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6718  215.8098  255.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3444  217.1495  254.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3162  217.7829  255.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5894  217.0924  256.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8957  215.7460  256.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9256  215.1095  256.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5073  217.7811  257.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4280  219.1210  257.1403 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.2691  217.2829  257.1076 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.6839  217.6472  258.7178 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.2166  211.5707  254.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 25  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
179.57051975,-108.48114522,-6.43362927,197.69865419,214.56946184,254.96470646
1.05188020,0.35864659,-2.29691387

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443117/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.36096

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-1.03904

>  <SCORE.INTRA.DIHEDRAL>
-2.73262

>  <SCORE.INTRA.DIHEDRAL.0>
4.12613

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.327267

>  <SCORE.INTRA.VDW.0>
-1.90322

>  <SCORE.INTRA.norm>
-0.0432935

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.306706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  205.9477  193.5751  255.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3744  194.0861  255.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4856  195.5881  255.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6954  196.1904  255.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8714  197.5655  255.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8527  198.3434  255.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6483  197.7520  256.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4374  196.3799  255.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1968  195.7321  256.3390 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2508  194.2926  256.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6909  196.4993  256.2528 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.6280  195.5543  256.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7569  197.7474  256.9878 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5390  196.9676  254.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4568  196.5016  253.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2905  196.9384  252.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2007  197.8384  251.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2788  198.3183  252.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4427  197.8872  253.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2483  199.2272  251.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2497  199.4540  250.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1643  199.6828  252.8837 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3744  200.1371  252.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0988  198.9303  251.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9175  199.0485  250.7593 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7436  197.7124  252.2078 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3506  196.4821  251.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4356  195.2888  251.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0561  195.4693  252.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2106  194.3714  252.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7357  193.0810  252.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1009  192.8861  252.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9471  193.9832  251.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1850  197.6798  253.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
173.97259219,121.81404795,-8.85631240,158.29297205,-67.74533905,157.16878332
-150.25255214,16.86955209,205.85999919,196.68180784,253.84274836,-2.25753847
0.57570517,-0.60095673

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443118/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.90504

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-7.49496

>  <SCORE.INTRA.DIHEDRAL>
-3.08847

>  <SCORE.INTRA.DIHEDRAL.0>
11.6159

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.95072

>  <SCORE.INTRA.VDW.0>
-2.38962

>  <SCORE.INTRA.norm>
-0.22712

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.178941

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000794

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 51  0  0  0  0  0  0  0  0999 V2000
  192.6015  225.1852  260.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1268  224.6775  259.1611 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.0074  224.6034  258.0811 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.1515  225.8812  258.0303 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5479  226.1227  259.4309 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.6982  226.4362  260.4456 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5279  227.6074  260.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5088  227.1232  259.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8840  227.2244  260.7169 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8006  228.3167  260.8079 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.4968  227.8983  260.1054 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.0678  226.5033  260.5926 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.2352  225.5346  260.3575 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3597  225.9644  261.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9044  224.0991  260.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5500  224.0248  262.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7294  226.6121  261.9889 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4600  228.9202  260.3979 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2557  229.5749  260.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8639  227.0465  257.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3496  224.1350  256.7595 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3783  224.8175  256.0457 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0297  223.8470  255.0015 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.1802  223.7491  253.7089 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7504  225.1387  253.2185 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0092  225.8506  254.3488 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9535  226.0278  255.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4960  227.2501  253.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5350  228.2212  253.5998 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9301  225.8863  252.8446 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9255  223.1181  252.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3229  222.5038  255.5586 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7548  223.3527  259.3639 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0399  228.4756  260.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6244  227.6306  259.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.3484  223.0851  262.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.6187  225.6930  262.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.1361  228.7203  261.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.6343  228.7101  259.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0111  229.8021  260.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.1538  226.8947  256.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.1602  228.9137  252.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2723  227.7414  253.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3938  225.3502  252.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1181  222.2168  252.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.5178  222.2240  256.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0831  222.5914  256.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0815  222.7084  259.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5175  223.4290  260.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  1  0  0  0
  3  4  1  0  0  0  0
  3 21  1  6  0  0  0
  4  5  1  0  0  0  0
  4 20  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  6  7  1  6  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 22 21  1  6  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  1  0  0  0
 24 25  1  0  0  0  0
 24 31  1  6  0  0  0
 25 26  1  0  0  0  0
 25 30  1  1  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 42  1  0  0  0  0
 29 43  1  0  0  0  0
 30 44  1  0  0  0  0
 31 45  1  0  0  0  0
 32 46  1  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
 33 49  1  0  0  0  0
M  END
>  <CHROM.1>
56.87129947,-56.90310944,63.63647366,174.46186547,-161.29548849,177.43910838
-61.26821852,-78.06342343,-169.88263233,-58.95447959,179.46957175,154.75427770
42.84649496,62.46647271,56.67757649,-63.46540400,153.35416338,190.70755294
225.86361226,258.01364386,-2.67817392,0.71814636,-0.94963682

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443119/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.413782

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.49697

>  <SCORE.INTRA>
-16.8138

>  <SCORE.INTRA.DIHEDRAL>
-22.9566

>  <SCORE.INTRA.DIHEDRAL.0>
29.6815

>  <SCORE.INTRA.POLAR>
-1.22056

>  <SCORE.INTRA.POLAR.0>
-2.36277

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.18561

>  <SCORE.INTRA.VDW.0>
-1.89039

>  <SCORE.INTRA.norm>
-0.509509

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
-0.0125388

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004636

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 43  0  0  0  0  0  0  0  0999 V2000
  205.2910  187.5060  240.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9747  187.3869  241.6044 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.2051  188.6781  241.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6198  188.3743  243.2515 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2676  187.3435  243.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1473  186.8158  242.9591 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.1112  185.8484  243.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2235  185.8250  242.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4101  186.8027  241.4522 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1547  184.8515  242.6406 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9698  183.8777  243.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9603  183.8194  244.3721 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0116  184.8206  244.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0620  184.8885  245.0918 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9525  182.9487  243.5921 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6185  189.0979  243.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0020  190.1967  243.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0119  190.9497  243.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6120  190.6383  245.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1901  189.5327  245.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1738  188.7773  245.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5579  191.4827  245.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1825  191.2225  246.9732 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0389  192.5212  245.0986 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9646  193.3929  245.6103 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9684  194.7498  244.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4777  194.7244  243.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5793  194.2953  242.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2422  195.1166  241.8849 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8310  192.9757  242.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6445  192.6424  245.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7399  192.6345  246.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5511  191.9871  244.2131 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2684  186.7304  240.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.0128  184.8828  242.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.8861  183.2440  243.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9586  182.3566  242.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2561  192.6258  244.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5660  192.6916  241.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3336  192.0521  243.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  6  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 39  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 40  1  0  0  0  0
M  CHG  1   6   1
M  END
>  <CHROM.1>
2.20020718,63.72792629,179.38443826,157.31598547,72.19883841,139.41228504
-82.49940446,-98.23022432,-178.19845979,-0.03272960,201.32437568,189.34588747
243.82717603,-0.35333788,0.65798717,-0.85296847

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443120/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.31623

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-5.08377

>  <SCORE.INTRA.DIHEDRAL>
-1.07836

>  <SCORE.INTRA.DIHEDRAL.0>
7.30901

>  <SCORE.INTRA.POLAR>
-1.11564

>  <SCORE.INTRA.POLAR.0>
-0.884363

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.751424

>  <SCORE.INTRA.VDW.0>
-0.194957

>  <SCORE.INTRA.norm>
-0.154054

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.252007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023600

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 36  0  0  0  0  0  0  0  0999 V2000
  211.6456  186.8437  252.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6657  186.7648  251.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6115  187.9609  251.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6906  187.9764  250.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2050  188.0146  248.6602 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8124  186.9165  247.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1741  187.4142  246.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2626  188.8624  246.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0514  189.1843  247.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5126  190.5105  248.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0174  190.8194  249.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3344  191.3818  247.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7594  192.7197  247.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6214  189.9488  246.1328 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.1244  190.3443  245.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6275  190.4296  246.6877 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.5147  186.4883  245.6492 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.0153  186.1877  245.8192 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.1817  187.3950  245.3862 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6083  187.9340  244.0047 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1380  187.9918  243.7982 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7962  186.8171  244.2683 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5198  188.3331  242.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1447  187.2912  241.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9792  187.1016  243.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7852  187.0767  245.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7227  185.7425  247.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9453  185.5052  248.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1878  184.6052  247.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0558  185.3201  249.0402 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2606  183.9714  249.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2028  187.0929  241.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0234  187.0689  243.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5605  186.8476  246.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3751  185.0725  247.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17  7  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  1  0  0  0
 19 20  1  0  0  0  0
 19 26  1  6  0  0  0
 20 21  1  0  0  0  0
 20 25  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
 27 35  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <CHROM.1>
179.63456407,60.38569094,-84.26692376,148.60943973,92.55369268,-6.09787629
-179.70680209,-46.20311061,61.60511227,52.57849633,-66.48253011,52.61065095
179.64525832,212.79153367,187.85772625,246.92709385,0.58192767,1.05976449
2.49612835

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443121/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.05428

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-13.3457

>  <SCORE.INTRA.DIHEDRAL>
-14.6274

>  <SCORE.INTRA.DIHEDRAL.0>
23.3978

>  <SCORE.INTRA.POLAR>
-1.71425

>  <SCORE.INTRA.POLAR.0>
-0.168029

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.203533

>  <SCORE.INTRA.VDW.0>
-1.35353

>  <SCORE.INTRA.norm>
-0.430507

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0340092

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000148

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  190.6487  212.1121  261.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8282  213.3331  262.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9661  213.4216  263.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1922  214.7098  263.3681 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8104  215.8001  262.6219 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4722  215.4888  261.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9915  214.3552  261.1370 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4771  216.5525  260.5713 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7451  217.4326  261.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2352  217.0439  262.4164 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6959  214.5950  263.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2132  214.1851  261.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8408  214.1600  261.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9350  214.5321  262.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3837  214.8858  263.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7519  214.8998  264.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2508  214.5562  262.1932 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.2697  213.6945  260.5410 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.6321  212.2111  263.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7479  211.0745  263.4639 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0679  212.3667  265.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3444  217.7324  263.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-23.94056068,-55.63333163,187.23969838,214.30303397,262.33255790,0.06086012
-0.10309258,2.62646683

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443130/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32185

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-0.0781521

>  <SCORE.INTRA.DIHEDRAL>
0.344607

>  <SCORE.INTRA.DIHEDRAL.0>
2.52748

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.250456

>  <SCORE.INTRA.VDW.0>
-0.964264

>  <SCORE.INTRA.norm>
-0.00372153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.348659

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000938

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  198.5325  222.2182  258.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6037  221.4821  257.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1456  220.1918  257.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6168  219.6391  258.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5456  220.3744  259.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0037  221.6655  259.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9400  222.3622  261.0694 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2410  219.1661  255.8896 As  0  0  0  0  0  0  0  0  0  0  0  0
  198.0189  218.0681  255.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0554  220.1546  254.3511 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7616  218.1542  255.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5865  223.2624  261.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7859  220.8219  254.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5033  218.8100  255.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
-100.41439572,-1.11566231,58.22683341,-60.18098845,199.17910306,219.95838972
257.14059589,1.70766755,-1.11168530,1.14195870

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443131/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37373

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0262692

>  <SCORE.INTRA.DIHEDRAL>
-0.00129813

>  <SCORE.INTRA.DIHEDRAL.0>
1.25243

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0256201

>  <SCORE.INTRA.VDW.0>
-0.734174

>  <SCORE.INTRA.norm>
-0.00238811

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.57943

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 23  0  0  0  0  0  0  0  0999 V2000
  218.4811  189.2504  240.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2994  188.3435  241.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0778  187.7197  242.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0072  186.8252  242.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1523  186.5998  241.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3551  187.2285  240.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4339  188.0932  240.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7800  186.0659  243.9407 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.3795  184.6124  243.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1857  183.9557  244.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1888  182.5528  244.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3415  181.8152  243.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5527  182.4730  243.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5427  183.8490  243.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6383  184.6633  244.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7340  184.2351  244.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0680  185.8822  244.6068 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0960  186.2894  246.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6630  186.4523  246.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7544  187.0421  245.0763 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  4  1  6  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-138.17485868,216.17833923,185.80323895,243.49823412,-0.51854093,1.33327012
1.47236282

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443133/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29826

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.101736

>  <SCORE.INTRA.DIHEDRAL>
-0.0847819

>  <SCORE.INTRA.DIHEDRAL.0>
0.762629

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0593453

>  <SCORE.INTRA.VDW.0>
-1.47392

>  <SCORE.INTRA.norm>
-0.00508681

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.314913

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002845

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  195.3468  217.1253  250.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6491  217.7103  251.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5594  219.0897  251.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1718  219.8898  250.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8701  219.3021  249.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9520  217.9131  249.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6265  217.3906  247.8514 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6308  216.0622  247.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9304  215.0894  248.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2053  215.8882  246.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8618  216.0806  245.8440 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.9280  219.8059  253.1119 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.3470  218.0531  247.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
0.17718655,-73.29882425,194.94321535,217.77639977,249.51800513,-0.91167214
1.13186207,-2.73207534

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443134/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.85982

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-1.54018

>  <SCORE.INTRA.DIHEDRAL>
-0.0011603

>  <SCORE.INTRA.DIHEDRAL.0>
1.33623

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.5396

>  <SCORE.INTRA.VDW.0>
1.0731

>  <SCORE.INTRA.norm>
-0.128348

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.488319

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002612

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  212.4324  188.0561  255.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1982  187.7219  254.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2533  188.7226  254.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0990  188.4220  253.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8870  187.1312  253.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8158  186.1265  253.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9667  186.4205  254.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7823  186.7801  252.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8405  187.7558  252.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9104  189.0397  252.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0701  189.4517  253.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1435  190.5651  253.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8745  189.9640  252.1981 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6979  190.2707  250.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3153  189.8330  249.9199 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5020  191.1509  250.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0486  191.5445  249.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8429  192.3573  249.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9862  192.7823  250.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8172  193.4980  250.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4915  193.7877  248.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3226  193.3658  247.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4899  192.6504  248.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0496  194.6540  248.3933 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.7063  187.2515  251.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9259  186.5299  250.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8433  186.0656  249.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5421  186.3233  249.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3129  187.0378  250.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3946  187.5021  251.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2099  185.7593  248.8293 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-51.09783856,-67.27262477,0.70507354,-176.11483101,-2.33661930,205.21965342
189.39680741,251.04691936,-0.41589187,-0.56005221,0.14194152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443135/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.80981

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-2.59019

>  <SCORE.INTRA.DIHEDRAL>
-5.1667

>  <SCORE.INTRA.DIHEDRAL.0>
12.0554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00683958

>  <SCORE.INTRA.VDW.0>
-2.21658

>  <SCORE.INTRA.norm>
-0.0835546

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.251929

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  225.2225  176.4105  244.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4093  177.3054  244.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7018  176.9603  244.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5701  178.0060  244.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7759  178.9905  243.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4383  178.5716  243.6213 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.3074  179.3133  243.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4241  180.1483  242.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3261  180.8825  241.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0958  180.7613  242.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9589  179.9258  243.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0653  179.2162  243.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7395  181.6423  241.6133 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  228.2321  180.3380  243.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0293  178.0821  244.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.6450  179.1065  244.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.7806  176.8436  244.8726 C   0  0  1  0  0  0  0  0  0  0  0  0
  230.7607  176.8152  246.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.1681  175.6245  244.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.1349  175.4415  243.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.6293  176.2112  242.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.4020  174.2373  242.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7492  173.3615  243.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1156  172.3615  242.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4034  172.6275  241.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1860  173.7546  241.4696 N   0  0  0  0  0  0  0  0  0  0  0  0
  229.7167  174.2773  240.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-175.18007081,-146.27327743,-85.80384031,61.56346012,2.87953178,2.37260920
227.30411727,177.52687765,243.13804539,2.51493666,-0.40977302,0.35615067

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443136/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.16096

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-6.23904

>  <SCORE.INTRA.DIHEDRAL>
-12.8363

>  <SCORE.INTRA.DIHEDRAL.0>
18.6666

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.179112

>  <SCORE.INTRA.VDW.0>
-0.746847

>  <SCORE.INTRA.norm>
-0.231076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.191147

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  222.7679  187.0930  244.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7362  187.7241  245.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9379  186.8125  245.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9736  187.3306  246.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5859  187.5964  247.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1786  186.3299  248.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8813  185.6604  248.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6339  186.5301  248.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4238  185.7569  247.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7494  188.3567  248.4923 C   0  0  1  0  0  0  0  0  0  0  0  0
  228.0771  187.5781  248.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0363  189.7854  247.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8840  190.7629  248.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-178.95584812,61.25536212,65.16316713,-66.44246999,-59.16878982,-62.60640589
178.75529130,63.31491649,224.89083762,187.48738552,247.21591152,-2.99732400
0.61888297,1.96276597

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443137/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.6044

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03077

>  <SCORE.INTRA>
-0.795628

>  <SCORE.INTRA.DIHEDRAL>
-0.656268

>  <SCORE.INTRA.DIHEDRAL.0>
1.6389

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.467494

>  <SCORE.INTRA.VDW.0>
0.503733

>  <SCORE.INTRA.norm>
-0.0612021

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.969567

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007281

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  220.8963  186.0967  251.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5626  186.0494  250.5564 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2610  185.0252  249.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2152  184.1634  250.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8900  183.0872  249.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6203  182.7934  248.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6571  183.6505  247.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9790  184.7559  248.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3383  181.6603  247.2846 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3585  180.7073  247.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6652  180.6493  248.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2329  179.6196  246.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2024  178.5829  246.6525 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5006  178.9304  246.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8857  180.0028  246.0392 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3823  177.7771  246.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3464  177.8603  247.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6879  179.0210  248.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8746  179.0303  249.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1968  180.1312  250.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3305  181.2215  250.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1394  181.2142  249.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8181  180.1114  248.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7372  182.5846  251.1959 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.2268  176.4705  246.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3106  176.3272  245.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1485  175.0886  244.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9046  174.0013  244.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8259  174.1284  245.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9900  175.3646  246.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7437  172.8140  244.3202 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.5204  184.4325  251.2185 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7640  183.5226  252.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9576  181.4735  246.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
122.11069309,-108.96023502,-1.85172117,81.94001964,-65.43831394,-9.16949692
-122.80903572,4.00499648,-167.76391455,219.87555578,180.33096261,248.24743150
-1.59299984,0.42281386,-2.63004433

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443138/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.0900474

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-14.31

>  <SCORE.INTRA.DIHEDRAL>
-18.9056

>  <SCORE.INTRA.DIHEDRAL.0>
37.4814

>  <SCORE.INTRA.POLAR>
-0.447009

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.33733

>  <SCORE.INTRA.VDW.0>
2.09951

>  <SCORE.INTRA.norm>
-0.433635

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.00272871

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000188

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  208.1992  192.5905  254.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5067  192.5114  253.4948 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1657  192.7290  252.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5299  193.0644  252.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1105  193.0872  253.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5068  192.8758  254.8274 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4376  193.3326  253.4213 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5954  193.5259  252.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4614  193.3772  251.4207 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5013  193.1889  254.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4631  194.1646  255.5728 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2222  195.6400  255.2071 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.8940  195.8683  254.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7767  196.2319  253.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8362  195.5335  255.2751 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1902  196.4499  256.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4642  193.7386  256.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4635  192.5947  251.1453 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9979  195.6564  254.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0748  196.3573  256.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6016  193.7128  256.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.2211  193.4795  250.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7867  191.8421  250.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  1  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <CHROM.1>
104.06114930,-66.39109863,-46.78702613,60.26560147,-58.79990683,-113.60464035
61.67542186,-177.74533822,210.36717422,193.97841538,253.98030911,2.38003811
-0.49048829,-1.77678238

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443139/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.49738

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-6.90262

>  <SCORE.INTRA.DIHEDRAL>
0.105771

>  <SCORE.INTRA.DIHEDRAL.0>
4.48747

>  <SCORE.INTRA.POLAR>
-1.28145

>  <SCORE.INTRA.POLAR.0>
-0.0431564

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.59857

>  <SCORE.INTRA.VDW.0>
-1.04308

>  <SCORE.INTRA.norm>
-0.383479

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.194299

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001504

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  213.2063  187.9880  244.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5266  188.2753  244.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1989  189.4384  244.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4602  189.7691  244.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0828  188.9232  245.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4191  187.7795  246.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1076  187.4616  245.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4608  186.2963  246.2023 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6892  186.3532  247.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6955  187.4883  247.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4831  187.3270  247.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2357  188.7959  247.5308 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4059  189.2363  248.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3636  188.5788  248.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4182  189.2955  249.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5299  190.6585  249.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5889  191.3259  248.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5129  190.6167  247.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4216  191.0250  247.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0445  192.2762  246.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9106  192.3740  245.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1500  191.2452  245.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4966  189.9972  246.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6388  189.9030  246.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9676  185.8082  245.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-98.70624608,51.40296382,106.02022423,214.13880133,189.21276135,246.74600063
2.80196646,-0.46873814,0.41433775

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443140/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.96453

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-5.43547

>  <SCORE.INTRA.DIHEDRAL>
-0.0191562

>  <SCORE.INTRA.DIHEDRAL.0>
2.13742

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.42589

>  <SCORE.INTRA.VDW.0>
-0.131492

>  <SCORE.INTRA.norm>
-0.226478

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.123522

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000731

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  200.2132  213.5734  244.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3887  213.0338  244.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3641  214.0029  245.1355 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6775  213.2425  245.4109 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5374  212.3679  246.6727 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.2632  213.2557  247.9171 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.1207  214.2349  247.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4384  214.7765  248.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5161  215.8055  248.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2999  216.3399  247.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9651  215.8083  246.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8366  214.7113  246.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5027  213.9997  248.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0711  213.6215  249.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2041  214.2699  250.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7778  215.3232  249.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2158  215.7308  248.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0939  215.0738  247.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7270  211.4605  246.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6689  210.2529  247.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8824  212.1882  246.8996 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0713  211.4292  247.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0700  212.5102  244.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1020  211.2860  244.0712 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4431  213.3507  243.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8467  212.6981  241.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  6  0  0  0
  5  6  1  0  0  0  0
  5 19  1  1  0  0  0
  6  7  1  0  0  0  0
  6 13  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-166.20026469,-114.99250190,-128.24928786,-109.96931960,179.52199188,178.76787761
203.69295306,213.54655727,246.59385941,2.23807242,0.45986349,-2.06103329

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443141/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.84381

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-1.55619

>  <SCORE.INTRA.DIHEDRAL>
-1.31348

>  <SCORE.INTRA.DIHEDRAL.0>
4.45981

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.899452

>  <SCORE.INTRA.VDW.0>
0.425761

>  <SCORE.INTRA.norm>
-0.0598536

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.378608

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  181.8053  222.3313  258.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3053  220.9316  258.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5236  220.8611  259.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3857  220.8911  260.8376 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.9698  220.8048  258.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6415  222.2402  259.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1784  222.7772  260.4091 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.9817  224.0780  260.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9675  223.0740  261.3715 N   0  3  0  0  0  0  0  0  0  0  0  0
  184.4204  222.2033  261.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.3210  223.3364  262.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0133  224.1032  260.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8878  219.7846  259.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4083  218.9459  260.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2483  218.0287  261.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5787  217.9114  260.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0790  218.7251  259.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2503  219.6670  259.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8574  220.4186  257.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6391  221.4183  256.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3230  221.1024  255.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2253  219.7766  254.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4896  218.7682  255.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8148  219.0840  256.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3799  220.9094  261.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
83.61700379,102.89991554,74.97653973,4.82165470,85.76476404,171.22895980
51.50026302,185.04758513,220.91905321,259.15532457,1.89975840,0.86458538
-2.27056249

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443142/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.50759

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-5.89241

>  <SCORE.INTRA.DIHEDRAL>
0.307878

>  <SCORE.INTRA.DIHEDRAL.0>
4.41385

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.946349

>  <SCORE.INTRA.VDW.0>
2.24292

>  <SCORE.INTRA.norm>
-0.256192

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.282939

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037430

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  225.7684  183.7563  242.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1379  185.1941  242.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3061  185.6540  242.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6912  187.1063  242.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5822  188.0767  242.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7516  188.5716  243.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6819  189.4116  242.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4211  189.7634  241.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2738  189.3131  240.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3392  188.4662  240.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2486  190.6132  241.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1048  191.0533  239.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3587  190.8270  242.0654 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0144  190.2741  242.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0180  188.7623  242.3049 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.6528  188.3697  243.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1543  186.9768  243.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5704  187.0623  241.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8100  188.1123  241.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7279  191.0855  242.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 15 14  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
178.96218722,-63.21830092,99.11177517,171.31356084,-111.71586921,71.94662338
59.58539022,224.10441168,188.25531242,241.98614643,0.69479777,-0.19763152
2.74810752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443143/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.33687

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-4.06313

>  <SCORE.INTRA.DIHEDRAL>
-2.88384

>  <SCORE.INTRA.DIHEDRAL.0>
5.12555

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.62121

>  <SCORE.INTRA.VDW.0>
-1.01637

>  <SCORE.INTRA.norm>
-0.213849

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.438782

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039814

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  211.1882  177.9249  253.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5736  177.4352  254.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8491  177.0745  255.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6197  177.4714  253.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9267  177.0013  253.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8945  177.1257  252.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5650  177.7092  251.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2689  178.1594  250.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2997  178.0433  251.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7592  177.8690  249.8033 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.4204  176.1944  254.7009 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
-178.19281940,214.60708450,177.35485963,252.64539045,2.24354097,-0.28579774
1.95589620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443144/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.62803

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.77197

>  <SCORE.INTRA.DIHEDRAL>
-4.08564

>  <SCORE.INTRA.DIHEDRAL.0>
4.18913

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.27085

>  <SCORE.INTRA.VDW.0>
0.393615

>  <SCORE.INTRA.norm>
-0.0701791

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.511639

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001546

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  193.1098  229.9675  257.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0229  228.5433  257.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0779  228.1771  258.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9907  226.8551  258.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8695  225.8755  258.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8575  226.2433  257.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9005  227.5740  257.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9129  225.3061  256.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7543  224.5508  258.9397 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6401  224.0227  259.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5551  224.6396  260.4115 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4869  222.5276  260.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4770  221.5940  258.8909 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.8464  222.0093  257.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6743  222.5662  257.1280 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6655  222.9131  255.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6881  223.5732  255.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9597  223.8527  253.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1732  223.4746  253.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1510  222.7991  253.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8555  222.5409  255.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5756  221.9356  256.1790 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9097  226.5202  259.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3946  223.8657  258.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5070  221.5551  256.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
-102.86682901,4.32535328,87.30847334,-61.77142231,-17.30041101,193.31146736
224.52511581,257.41893644,2.40724217,-1.35038057,1.21024678

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443145/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.37432

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-7.02568

>  <SCORE.INTRA.DIHEDRAL>
-0.834819

>  <SCORE.INTRA.DIHEDRAL.0>
3.50973

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.20827

>  <SCORE.INTRA.VDW.0>
-1.06817

>  <SCORE.INTRA.norm>
-0.305464

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.14671

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  200.7949  207.4742  259.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8155  206.3763  259.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7536  205.2017  258.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7339  204.2057  258.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7726  204.3594  259.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8300  205.5336  260.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8613  206.5287  260.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7761  203.2538  259.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8146  203.4602  260.4988 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4704  201.9071  259.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0642  202.0486  257.8514 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7273  200.9068  257.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8433  199.7903  257.6756 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1602  201.2093  255.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9716  202.5480  255.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4378  202.8254  254.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0985  201.8632  253.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2660  200.5803  253.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8788  199.6242  252.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0043  198.2563  252.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5312  197.8270  254.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9208  198.7688  255.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8007  200.1699  254.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1713  204.2521  253.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8134  204.6107  252.7460 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4503  205.0856  254.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3508  206.4768  254.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7027  207.3289  255.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0536  208.3296  256.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8822  206.9593  256.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2536  207.8428  257.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3522  207.5826  258.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0928  206.4033  258.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7200  205.5237  257.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6255  205.7952  256.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2784  206.0327  259.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6931  208.5798  259.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6828  204.9493  257.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
167.31869395,49.11708179,-177.88230236,-5.47493368,-4.25444770,173.32660106
173.81443700,-179.10810420,-137.51230633,173.51575115,203.33028016,203.99448202
256.87025137,1.14846727,-1.07492171,0.21215419

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443154/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.72191

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-10.6781

>  <SCORE.INTRA.DIHEDRAL>
-9.26663

>  <SCORE.INTRA.DIHEDRAL.0>
13.3809

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00763183

>  <SCORE.INTRA.REPUL.0>
0.00763183

>  <SCORE.INTRA.VDW>
-6.00661

>  <SCORE.INTRA.VDW.0>
1.72086

>  <SCORE.INTRA.norm>
-0.281002

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.124261

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001346

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  218.9365  196.0400  243.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8238  194.8358  242.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9631  194.9539  243.6434 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8494  193.9232  243.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7506  193.0058  242.7150 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0236  194.1576  244.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6144  193.9598  245.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7598  194.2097  246.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3191  194.0047  248.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4576  194.2613  249.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9862  194.0604  250.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1204  194.3051  251.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6446  194.1031  253.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6823  194.3223  253.9845 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
179.90494515,3.28332762,71.36879382,-178.93471706,179.97809007,-179.67264310
179.54620481,179.62290138,-179.98408356,179.66370426,222.88279050,194.30272268
247.24823077,2.08914594,0.57631969,-1.83379209

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443155/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.406

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.1

>  <SCORE.INTRA>
-4.99399

>  <SCORE.INTRA.DIHEDRAL>
-6.36127

>  <SCORE.INTRA.DIHEDRAL.0>
7.63504

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.81336

>  <SCORE.INTRA.VDW.0>
1.63883

>  <SCORE.INTRA.norm>
-0.356714

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.743286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044281

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  176.6837  218.4530  250.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.9178  218.1748  252.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2362  218.6107  252.5482 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.3246  220.0564  252.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6717  220.7251  252.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6573  217.8187  253.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1343  217.9157  254.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7047  218.3530  255.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0779  218.5166  255.3092 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.9206  218.5235  254.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4437  218.0307  252.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0416  217.5735  252.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6406  216.9744  251.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.2542  218.0004  251.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5589  218.4772  251.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0586  218.9504  253.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2571  218.9485  254.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6757  219.4015  255.4926 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7878  218.7014  256.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9023  218.7358  256.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4189  219.0655  256.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
78.97947482,-145.94174696,162.75718956,121.22014760,121.88621840,181.24947102
218.56774364,253.50165827,-2.81358871,-0.02397529,1.42709268

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443156/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.62713

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-2.77287

>  <SCORE.INTRA.DIHEDRAL>
4.52465

>  <SCORE.INTRA.DIHEDRAL.0>
2.63456

>  <SCORE.INTRA.POLAR>
0.00100378

>  <SCORE.INTRA.POLAR.0>
-0.0115012

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.03861

>  <SCORE.INTRA.VDW.0>
4.01456

>  <SCORE.INTRA.norm>
-0.138644

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.381356

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000336

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  202.8466  215.2106  256.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7932  214.6994  255.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8359  213.8626  255.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9217  213.5586  257.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9823  214.0696  257.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9435  214.8907  257.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0991  213.6873  259.6424 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.7222  213.3737  255.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6360  213.6407  253.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8394  212.5815  255.6455 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1069  212.2376  255.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
2.16928340,-179.10481380,201.20942183,213.87908937,256.78031866,-0.90805216
-0.58033726,-1.29811973

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443157/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.2151

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-2.1849

>  <SCORE.INTRA.DIHEDRAL>
-4.1896

>  <SCORE.INTRA.DIHEDRAL.0>
4.2052

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0901056

>  <SCORE.INTRA.VDW.0>
0.187342

>  <SCORE.INTRA.norm>
-0.21849

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.42151

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008349

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  214.2201  186.3941  248.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9026  186.9559  247.4640 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5419  187.9761  246.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6013  188.7781  247.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4818  188.5560  248.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1429  187.3351  248.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0935  187.2039  249.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3917  188.2799  250.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6889  189.4752  250.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7373  189.6111  249.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3644  188.0448  251.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3844  189.0355  251.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9559  189.8878  246.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0960  190.3969  245.3087 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3544  190.4202  245.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5663  191.6740  245.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8352  192.2640  245.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8932  191.6210  246.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7078  190.3343  246.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4535  189.7219  246.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0739  192.3100  246.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6783  192.3946  247.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5919  186.6681  247.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5799  186.8996  246.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-166.66064945,57.95971113,26.16809846,131.49204110,-160.80681493,130.21946334
217.41118098,189.34064645,247.63899574,-2.71350304,-0.46710784,-0.94012121

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443158/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86441

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-3.53559

>  <SCORE.INTRA.DIHEDRAL>
-3.9488

>  <SCORE.INTRA.DIHEDRAL.0>
22.2206

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.56119

>  <SCORE.INTRA.VDW.0>
2.75344

>  <SCORE.INTRA.norm>
-0.153721

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.298453

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030462

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  190.6383  210.3552  242.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2768  209.0238  243.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3566  207.9805  242.7718 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7854  209.1340  244.7058 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5243  208.6142  245.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4195  209.3975  246.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1710  208.8291  247.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0491  207.4720  247.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8334  206.8329  249.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7804  207.5185  249.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4943  206.8747  250.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2845  205.5250  251.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3584  204.8169  250.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6411  205.4659  249.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6576  204.6806  248.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4682  203.4884  248.7184 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9601  205.3438  247.5294 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1158  206.7044  247.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3471  207.2717  246.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2023  206.2852  245.3092 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.5387  211.1154  246.3534 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.7763  209.0420  244.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2993  204.7823  247.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5 19  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-113.00721320,93.21368053,191.44657382,207.46056073,246.96115144,-2.23808330
0.90659621,2.72252028

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443159/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.93621

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-1.46379

>  <SCORE.INTRA.DIHEDRAL>
0.0255164

>  <SCORE.INTRA.DIHEDRAL.0>
0.935167

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.47654

>  <SCORE.INTRA.VDW.0>
-0.482142

>  <SCORE.INTRA.norm>
-0.0697041

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.282677

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000379

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  178.0232  212.4379  270.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.1232  211.3916  269.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.7209  211.2356  268.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2691  212.5293  268.0617 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.3746  213.3620  269.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5440  213.0601  266.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8301  214.2527  266.6836 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.4530  212.2139  265.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3543  210.7968  265.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2630  210.0487  264.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3982  210.7919  263.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5441  212.1881  263.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5556  212.8979  264.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1884  208.6515  264.3016 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.1722  207.7074  264.8442 C   0  0  1  0  0  0  0  0  0  0  0  0
  176.9994  207.9585  266.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5953  207.3683  267.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.9454  207.4566  268.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.7199  208.1384  268.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.2024  208.8567  267.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.9005  208.8016  266.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.3939  209.1865  265.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.5494  210.0246  264.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
  175.8305  208.1282  264.3168 N   0  0  0  0  0  0  0  0  0  0  0  0
  174.6201  207.2311  264.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.1721  206.1809  265.2592 C   0  0  2  0  0  0  0  0  0  0  0  0
  173.3481  206.8268  266.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.3622  205.7463  267.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.7540  205.1637  267.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.2518  205.5573  265.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.4737  208.3618  263.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 31  1  0  0  0  0
 15 14  1  6  0  0  0
 15 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  6  0  0  0
 26 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-13.18107637,60.52205055,-52.91890290,40.04494250,83.34860554,176.72184914
209.53010040,266.38435621,0.27915517,1.01584588,1.36844429

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443160/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.13193

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-4.26807

>  <SCORE.INTRA.DIHEDRAL>
-4.28944

>  <SCORE.INTRA.DIHEDRAL.0>
7.78199

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.12335

>  <SCORE.INTRA.VDW.0>
-3.35189

>  <SCORE.INTRA.norm>
-0.142269

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.204398

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000755

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  175.2135  219.3689  263.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.6161  220.0576  264.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.3029  221.0814  265.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.5334  221.4914  264.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.1076  220.8709  263.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4696  219.7620  263.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2885  221.4637  263.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.7814  221.2290  261.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9772  221.1412  260.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6302  220.9026  259.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9255  220.4418  259.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7484  220.9398  260.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1667  221.3467  261.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2796  220.2097  258.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7984  219.1823  257.8823 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.7291  221.2577  257.5708 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.6482  221.7259  258.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9732  222.7278  258.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.7036  222.0001  256.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8475  221.8724  255.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3986  222.9377  254.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8524  224.1200  255.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7580  224.2182  256.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2412  223.1597  257.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1322  225.2666  254.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
  174.6757  221.8445  266.2478 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.4543  225.4823  253.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.0893  225.3245  254.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
  173.7404  222.1588  266.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
  174.7228  221.4264  267.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <CHROM.1>
-45.42738679,-162.25823405,39.55936815,103.12047412,42.88295162,178.90680378
221.58957762,259.98083106,-2.80870622,0.98774688,-0.13696993

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443170/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.9113

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.4887

>  <SCORE.INTRA.DIHEDRAL>
-2.97373

>  <SCORE.INTRA.DIHEDRAL.0>
5.96217

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.00183

>  <SCORE.INTRA.VDW.0>
-0.886004

>  <SCORE.INTRA.norm>
-0.0957191

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.304281

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001117

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  203.2682  203.7857  244.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7297  203.6853  243.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5589  204.1394  244.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9544  204.1491  244.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5527  203.6852  243.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7681  203.2112  242.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3455  203.2117  242.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7650  202.7250  241.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4507  203.1156  240.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0139  202.4382  239.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9390  200.9242  239.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2728  200.3323  240.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8286  199.6431  241.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1234  199.3101  240.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3521  199.7918  239.4673 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1836  200.4345  239.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1628  198.5259  241.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4849  202.6950  241.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7266  204.6243  245.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0672  204.6741  245.8270 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3364  205.1685  247.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1301  205.3714  247.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1121  205.0590  246.9325 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1667  205.8865  249.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9325  205.9809  249.6647 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.9043  205.0915  249.9224 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.7158  207.1296  249.1711 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
179.67291735,25.38967298,-179.33893237,63.81248441,-65.93375682,117.36607333
-176.00628774,206.35805494,203.23459748,243.94520957,1.94234852,0.40431634
-2.25917971

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443171/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2449

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-2.15514

>  <SCORE.INTRA.DIHEDRAL>
-0.402987

>  <SCORE.INTRA.DIHEDRAL.0>
2.21427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.95364

>  <SCORE.INTRA.VDW.0>
-0.271152

>  <SCORE.INTRA.norm>
-0.0798198

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.379439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000914

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  200.6179  190.3575  251.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8665  189.5708  250.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8860  189.9222  249.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6246  191.1119  249.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3952  191.8566  250.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4049  191.4786  251.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5379  191.6071  248.6616 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8530  192.8121  247.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5152  192.4715  247.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3204  192.3489  246.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5132  192.3186  248.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0063  191.9288  249.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7393  190.8291  249.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1470  190.8262  251.1363 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.4517  190.0802  251.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6114  190.2451  251.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8209  191.2633  252.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0467  191.3583  253.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2381  192.3234  254.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2151  193.2144  254.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9889  193.1218  254.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7866  192.1301  253.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7365  189.4819  251.5009 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3085  189.1414  249.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0612  188.2153  249.6888 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1506  189.6791  249.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7911  189.2112  248.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1089  190.1633  252.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3809  189.0285  251.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3361  188.5574  252.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0135  189.1700  253.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7443  190.2697  254.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7747  190.7504  253.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5267  187.4170  252.0249 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.8085  186.9174  250.9329 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6058  187.0354  252.7588 O   0  5  0  0  0  0  0  0  0  0  0  0
  199.6506  192.1026  247.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5365  188.8273  250.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  1  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
M  CHG  2  34   1  36  -1
M  END
>  <CHROM.1>
105.15382925,-61.08595555,56.88630821,-105.56668883,179.75279027,-112.44115059
37.94332043,178.61364988,-0.50703742,204.81086293,190.46261345,251.02469927
2.78633945,-0.28720578,-1.04730926

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443172/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.64187

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.344444

>  <SCORE.INTRA>
-10.7581

>  <SCORE.INTRA.DIHEDRAL>
-14.3216

>  <SCORE.INTRA.DIHEDRAL.0>
19.6811

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.59733

>  <SCORE.INTRA.VDW.0>
-4.25505

>  <SCORE.INTRA.norm>
-0.298837

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.0456076

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002671

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  210.2126  197.0831  247.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9559  198.4365  247.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7744  199.4189  248.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8663  199.0393  248.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1276  197.6814  249.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3060  196.6821  248.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6015  195.2124  248.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8128  194.3717  248.2961 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6160  194.9343  249.5444 O   0  5  0  0  0  0  0  0  0  0  0  0
  210.4401  200.7035  247.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6145  201.6846  248.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8065  201.3325  250.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2984  201.0534  251.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0161  200.6665  252.3875 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.9057  200.9071  251.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4198  201.2611  249.9489 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  CHG  1   9  -1
M  END
>  <CHROM.1>
143.68383669,-0.36021764,-58.30705998,117.64215316,210.38229594,198.88574757
249.50343827,-0.40092353,1.16562672,-0.74682675

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443173/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.19367

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-1.20633

>  <SCORE.INTRA.DIHEDRAL>
-0.183202

>  <SCORE.INTRA.DIHEDRAL.0>
2.24211

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.11473

>  <SCORE.INTRA.VDW.0>
0.67447

>  <SCORE.INTRA.norm>
-0.0753955

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.512105

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  184.8077  213.9479  262.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5612  213.6270  261.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4194  214.3775  260.6179 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.0274  214.1871  259.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5320  213.3623  258.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.8629  214.9973  258.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4903  216.1267  259.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1302  216.8990  259.0267 S   0  0  0  0  0  0  0  0  0  0  0  0
  180.0265  215.8035  257.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9885  214.8150  257.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0320  213.7270  256.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2641  214.1134  255.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8891  214.7039  255.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0050  215.9749  256.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1048  216.6368  260.8338 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.7529  217.7977  261.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9050  218.6261  261.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6001  218.0696  262.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8046  218.7815  262.3643 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9377  220.1294  262.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9775  220.8424  262.3282 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9834  220.1617  261.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9879  218.8249  261.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7944  218.0593  261.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6369  216.8713  261.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2312  218.4224  260.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0975  219.5018  260.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4445  220.9381  261.3293 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.6496  217.0994  260.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6954  216.1369  259.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0917  214.8992  259.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4426  214.6268  259.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4042  215.5504  259.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0070  216.7689  260.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8222  213.4583  258.6745 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.9281  216.1183  261.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 28  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-178.36721525,5.11853295,19.49805960,177.11879359,85.58954519,105.06986770
24.68694114,184.09396335,216.64231706,260.00316479,-0.56757982,0.16000297
-2.59686528

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443174/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.12146

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.354286

>  <SCORE.INTRA>
-10.2785

>  <SCORE.INTRA.DIHEDRAL>
-8.38798

>  <SCORE.INTRA.DIHEDRAL.0>
15.1088

>  <SCORE.INTRA.POLAR>
-0.903166

>  <SCORE.INTRA.POLAR.0>
-0.0751582

>  <SCORE.INTRA.REPUL>
-0.482742

>  <SCORE.INTRA.REPUL.0>
0.482742

>  <SCORE.INTRA.VDW>
-0.600073

>  <SCORE.INTRA.VDW.0>
-2.27885

>  <SCORE.INTRA.norm>
-0.293672

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0606133

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000398

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  183.3051  203.8634  262.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7510  204.2171  264.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5522  204.3109  264.5614 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7575  204.4198  265.2151 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3700  204.6731  266.5716 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.5549  205.2750  267.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7505  204.2688  268.5183 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.4095  203.0162  267.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2545  202.3751  267.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0759  203.3581  267.3667 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.3100  203.7985  268.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2317  202.6631  269.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3814  204.9164  269.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7224  202.7368  267.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-175.68267447,-163.72625997,183.36157677,203.84898128,266.89704806,-1.74404449
0.03991410,1.68337510

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443175/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.98004

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-2.41996

>  <SCORE.INTRA.DIHEDRAL>
-5.39611

>  <SCORE.INTRA.DIHEDRAL.0>
6.86149

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.278097

>  <SCORE.INTRA.VDW.0>
-0.692606

>  <SCORE.INTRA.norm>
-0.172854

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.355717

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004494

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  202.7554  218.1799  261.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5719  217.4896  260.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4905  217.9008  259.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7665  218.3680  258.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7546  218.7727  257.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9565  219.2141  255.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8028  219.5461  255.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5436  219.4548  255.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3484  219.0620  256.9954 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4139  218.7168  257.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1732  218.3056  259.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1888  217.8993  259.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9181  218.2723  259.5164 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.2605  219.4697  255.1647 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5319  220.2153  255.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5761  221.6394  256.0875 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7650  222.6040  255.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2629  222.4412  255.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8115  222.3230  257.0352 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.8206  221.5144  257.8929 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2854  221.7849  257.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6370  221.7688  259.2199 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.4581  223.6220  257.6335 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0784  224.0123  257.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0910  223.3659  258.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6061  222.1525  257.8892 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6893  221.5990  258.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2048  222.2050  259.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7415  223.4263  260.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6982  224.0225  259.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2765  221.6359  260.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5486  220.5907  260.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3439  219.6637  259.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1070  218.4671  259.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2854  220.3098  258.3837 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6572  218.2816  254.4617 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0996  224.3609  257.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7895  219.8185  257.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9538  218.0813  253.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  1  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 35  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <CHROM.1>
121.60738800,-44.29815530,-62.01057187,61.37895665,-36.45042375,83.64661414
82.94151496,-89.38596958,199.65103099,220.48740394,257.99802466,-0.00256709
-0.43625370,2.81664170

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443176/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.71175

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.344444

>  <SCORE.INTRA>
-7.68825

>  <SCORE.INTRA.DIHEDRAL>
4.30973

>  <SCORE.INTRA.DIHEDRAL.0>
5.60041

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0115992

>  <SCORE.INTRA.REPUL.0>
0.0115992

>  <SCORE.INTRA.VDW>
-6.38512

>  <SCORE.INTRA.VDW.0>
-0.177824

>  <SCORE.INTRA.norm>
-0.213563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.130882

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001916

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  200.9135  209.8138  248.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6635  210.7852  247.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5990  211.4501  248.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3773  212.4776  247.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5143  213.3978  247.2208 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
-179.93501768,60.77949283,202.20196814,211.65724488,247.86788008,2.11917278
0.44093201,2.62002495

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443178/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34994

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-0.0500552

>  <SCORE.INTRA.DIHEDRAL>
0.00231926

>  <SCORE.INTRA.DIHEDRAL.0>
6.05592e-08

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0512149

>  <SCORE.INTRA.VDW.0>
-0.185133

>  <SCORE.INTRA.norm>
-0.010011

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.46999

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.182802

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  193.2314  202.7350  246.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0887  203.7022  245.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6896  203.0779  244.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0777  202.5214  244.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5607  202.2013  246.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7055  202.4762  247.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8800  201.6748  246.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6030  201.4421  244.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9029  200.8950  244.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1913  200.8310  243.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9124  201.4688  242.4018 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.9783  201.7851  243.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7578  202.3196  243.6445 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4055  200.2923  242.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2979  199.8295  243.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5173  200.3706  241.3489 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6262  199.9174  240.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6685  200.2159  239.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7736  199.8846  238.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8414  199.2254  239.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8043  198.8666  240.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6917  199.2029  241.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9253  198.9289  238.3096 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.6441  200.8686  238.6549 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.7803  200.4568  245.6147 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5144  201.3502  247.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7601  201.6124  248.6236 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.8557  200.0336  247.6315 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.6744  202.0404  247.7313 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.8294  200.9309  240.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6820  200.5168  246.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6875  200.0720  245.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
-1.17092157,0.29339155,-172.09629764,198.75050656,201.04373403,243.63407037
2.43719904,-0.41231300,1.65607197

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443179/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07141

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.289655

>  <SCORE.INTRA>
-0.328591

>  <SCORE.INTRA.DIHEDRAL>
-0.669413

>  <SCORE.INTRA.DIHEDRAL.0>
1.53319

>  <SCORE.INTRA.POLAR>
-0.00489761

>  <SCORE.INTRA.POLAR.0>
-0.0352034

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0227671

>  <SCORE.INTRA.VDW.0>
0.806607

>  <SCORE.INTRA.norm>
-0.0113307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.278324

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000092

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  212.3260  189.2948  242.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1482  189.7896  241.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3328  190.9358  241.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1918  191.5977  240.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8286  191.0983  239.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5708  189.9163  239.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7572  189.2483  240.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5706  188.0576  240.3721 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2120  186.8022  240.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3044  185.9648  240.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3256  186.6413  240.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8664  187.9157  239.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6527  188.9746  239.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5963  186.1381  239.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2611  185.0219  240.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5934  184.7035  239.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1150  185.3813  238.4452 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1961  183.5461  239.8982 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4778  183.0661  239.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6463  181.7439  239.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1994  181.0064  240.4322 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.4119  182.5944  240.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2618  182.7618  241.0690 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8120  184.0659  241.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1298  184.4339  242.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5970  183.9829  239.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7621  183.4763  238.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8770  184.2932  238.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8365  185.6240  238.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6786  186.1406  239.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5566  185.3261  239.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8603  186.3794  241.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5666  186.1733  238.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
54.21874484,-15.39777956,-165.56330129,216.90743999,185.91535641,240.15958089
2.60139383,0.29250959,-0.27223386

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443180/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.71151

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2625

>  <SCORE.INTRA>
-5.68849

>  <SCORE.INTRA.DIHEDRAL>
-10.4954

>  <SCORE.INTRA.DIHEDRAL.0>
20.9534

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.440775

>  <SCORE.INTRA.VDW.0>
-0.502637

>  <SCORE.INTRA.norm>
-0.177765

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0847347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000380

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  208.4595  187.0083  249.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3270  187.9265  248.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7611  187.4000  248.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5467  188.2644  247.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9174  187.6966  247.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4856  187.2649  249.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7977  188.3796  250.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4886  188.2116  251.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8082  186.9353  252.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5171  185.8267  251.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8693  185.9900  250.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7978  189.3818  252.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9412  189.4102  253.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7532  188.5066  253.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0369  190.6134  254.1519 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1226  190.9058  255.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3822  191.3333  253.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
172.69402341,-174.53793600,-65.49360870,-150.22713461,1.85698239,212.31717302
188.16507398,251.18046440,2.36338669,-0.72610583,-1.40760731

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443181/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.8546

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-0.545401

>  <SCORE.INTRA.DIHEDRAL>
-0.222246

>  <SCORE.INTRA.DIHEDRAL.0>
2.68585

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.434278

>  <SCORE.INTRA.VDW.0>
0.205275

>  <SCORE.INTRA.norm>
-0.0340876

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.615912

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004335

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  192.4493  217.5286  252.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2446  217.8740  254.0126 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.8284  216.8183  254.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1205  216.1045  255.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3117  216.6584  255.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8264  215.7527  255.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2056  215.6159  256.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0802  216.3809  255.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5765  217.2770  254.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1943  217.4180  254.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7307  219.2069  254.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4233  219.7556  255.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7353  219.2182  256.2701 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0629  221.1089  255.5627 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.8572  221.9866  254.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0761  221.7360  253.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1628  222.1305  252.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0244  221.0853  254.2749 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5663  220.9573  255.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3482  220.7419  253.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2641  220.2824  254.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5908  219.9949  254.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0132  220.1415  253.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1124  220.5697  252.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7901  220.8613  252.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3652  219.6040  255.5824 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3006  218.5640  255.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-111.96670581,169.76681285,176.10582961,-3.94628450,47.01711150,169.81657308
140.96032414,195.15877840,219.09838365,254.53476372,-2.90127391,0.01871093
-0.34028879

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443182/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.08257

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-7.31743

>  <SCORE.INTRA.DIHEDRAL>
-4.10737

>  <SCORE.INTRA.DIHEDRAL.0>
8.69928

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.26374

>  <SCORE.INTRA.VDW.0>
3.84043

>  <SCORE.INTRA.norm>
-0.271016

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.188243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  192.4262  201.3601  257.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0752  201.7091  256.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1234  202.7869  256.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8037  203.9631  255.8535 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5959  204.8224  256.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4038  205.8904  255.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4080  206.0495  254.2178 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.5795  204.6813  253.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7565  203.6257  254.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8211  204.6160  252.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4698  203.4406  251.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8421  203.2503  250.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5427  204.2469  249.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8362  205.4480  250.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4699  205.6396  251.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7817  206.1196  254.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7283  206.8221  254.5875 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9238  205.0261  255.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7466  205.1155  256.8728 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1612  207.3236  253.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8299  207.3652  252.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7048  207.4736  251.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 20  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-119.57075187,64.12742629,-63.18060697,-155.91046064,-120.79074079,193.75100344
204.87006392,253.91288675,1.79719406,1.56672264,1.69074683

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443183/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.28791

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-3.11209

>  <SCORE.INTRA.DIHEDRAL>
-8.70389

>  <SCORE.INTRA.DIHEDRAL.0>
12.7554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.23986

>  <SCORE.INTRA.VDW.0>
-2.9446

>  <SCORE.INTRA.norm>
-0.141459

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.331269

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.198877

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  199.9334  218.7012  249.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3381  218.4718  250.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0895  217.9409  251.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4476  217.6376  251.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0338  217.8660  250.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2805  218.3981  249.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2533  217.0511  252.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0286  218.1285  253.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1384  219.2294  253.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4635  219.0841  255.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6139  220.0913  255.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4371  221.2564  254.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1176  221.4197  253.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9666  220.4136  253.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-96.25505861,55.99408099,84.08698558,201.23379270,218.96850537,252.53641336
1.68784750,0.79599044,-2.08600400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443184/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34583

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.05417

>  <SCORE.INTRA.DIHEDRAL>
-0.0270769

>  <SCORE.INTRA.DIHEDRAL.0>
1.5157

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.04063

>  <SCORE.INTRA.VDW.0>
-0.6888

>  <SCORE.INTRA.norm>
-0.0752976

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.524702

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066163

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  196.8383  214.9852  260.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5485  216.4233  260.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8101  217.3322  259.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3587  216.8139  258.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6426  215.3228  258.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7696  214.6560  258.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8801  217.2293  257.8984 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7899  216.9067  258.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9144  217.8961  259.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8775  217.5683  260.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6961  216.2518  260.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5859  215.2705  260.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6437  215.6060  259.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7745  218.6893  257.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8565  219.6790  258.1123 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6577  218.8271  255.9859 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6774  220.1220  255.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3965  220.4428  254.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1479  220.3360  255.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8297  220.6094  254.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5570  220.1962  255.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3882  218.8034  255.9333 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1280  218.5620  257.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9523  217.1431  257.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5700  216.1518  256.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9653  216.5513  256.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7028  215.3767  255.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0102  214.3628  256.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7083  213.7720  256.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6890  214.8297  257.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5676  216.2436  255.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3851  217.7402  254.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5344  217.9946  255.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 32  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-52.49990330,124.95853473,-71.47192570,-119.34370906,54.82116160,-178.54555990
166.81871128,-57.86939690,81.62737713,192.07871731,217.23040337,257.45783720
0.58339224,0.31141741,2.59894529

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443185/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.78771

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-4.61229

>  <SCORE.INTRA.DIHEDRAL>
-0.339941

>  <SCORE.INTRA.DIHEDRAL.0>
6.22449

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.44232

>  <SCORE.INTRA.VDW.0>
-3.61166

>  <SCORE.INTRA.norm>
-0.144134

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.305866

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016836

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 57  0  0  0  0  0  0  0  0999 V2000
  205.6919  223.6975  253.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3878  224.0197  254.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9755  223.9633  255.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5823  224.2118  256.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3640  224.5273  257.3115 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1173  224.1378  256.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4049  224.1987  257.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0768  223.9712  257.5461 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8718  223.8784  256.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1155  223.9778  255.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3260  223.9588  254.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5634  223.6713  255.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4476  223.7332  256.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1144  223.5485  255.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8475  223.7409  256.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8743  223.3820  255.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5748  222.9883  254.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9091  223.0993  254.6392 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1360  222.5289  253.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9091  222.0338  252.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4532  221.5490  250.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5013  221.1116  250.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6348  221.3810  250.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2842  221.9157  252.1313 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0884  221.1228  250.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0515  221.1276  251.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4382  220.8535  251.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4513  220.6485  252.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7021  220.5159  251.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3951  220.6561  250.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0251  220.8305  250.1993 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2358  220.6603  249.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0198  220.3422  252.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1758  220.2991  253.5130 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0554  220.3441  251.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3585  220.2478  251.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3747  220.2819  250.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2939  220.5907  253.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4980  220.7005  248.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4839  220.5459  247.9843 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7504  220.4072  248.1869 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8169  219.9435  246.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2750  219.6695  246.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0183  221.6168  250.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3829  223.4196  255.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5292  224.2538  257.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3847  224.4556  258.2355 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6258  224.5810  258.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3273  225.1166  259.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6486  225.4239  260.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7941  224.4368  259.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3507  223.9069  258.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6208  222.8692  253.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5469  220.9729  249.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 52  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  2  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  2  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 38  1  0  0  0  0
 29 30  2  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 54  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
>  <CHROM.1>
178.80777153,3.22819617,172.68805361,9.18110863,-170.40575252,176.01912032
-172.32394984,-9.58842021,-166.14577355,-169.50482493,-0.30427836,176.87830310
-179.32238458,177.50648299,-179.96659422,178.33229877,-179.87138494,199.15919544
222.39798867,253.58643374,-0.35904427,-0.04999394,1.14353927

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443194/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.08634

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.439216

>  <SCORE.INTRA>
-19.3137

>  <SCORE.INTRA.DIHEDRAL>
-35.1523

>  <SCORE.INTRA.DIHEDRAL.0>
37.7841

>  <SCORE.INTRA.POLAR>
0.0176716

>  <SCORE.INTRA.POLAR.0>
-0.526913

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79758

>  <SCORE.INTRA.VDW.0>
0.278306

>  <SCORE.INTRA.norm>
-0.378699

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
51

>  <SCORE.norm>
0.0605165

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000090

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  215.0006  182.4093  251.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1928  181.6166  251.6121 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3592  181.9737  250.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4848  182.9412  250.2466 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4949  181.1202  251.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4072  180.3610  251.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4640  179.3988  251.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0258  179.3476  252.7108 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7516  178.5989  250.5499 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.7935  177.6026  250.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1956  180.8264  252.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.2286  178.7265  249.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  3  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
43.90274207,-143.73430084,218.78854351,180.52547509,251.23941854,2.92959837
0.61970371,-1.24067874

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443195/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35677

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.0432258

>  <SCORE.INTRA.DIHEDRAL>
0

>  <SCORE.INTRA.DIHEDRAL.0>
0

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0432258

>  <SCORE.INTRA.VDW.0>
-0.580245

>  <SCORE.INTRA.norm>
-0.00432258

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.735677

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010368

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  197.8248  195.7162  245.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6630  195.0559  246.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7796  194.3781  247.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6715  193.7962  248.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4251  193.8968  247.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2892  194.5491  246.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3987  195.1299  245.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6247  193.1591  249.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5674  192.6591  249.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7637  193.1023  250.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7861  192.3983  251.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1531  190.9194  251.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1847  190.2783  250.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4874  188.9023  250.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0870  194.3119  248.1077 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.5887  195.3705  248.5038 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6267  193.1965  248.1500 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.6771  193.3205  249.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
>  <CHROM.1>
-177.70167025,88.71018752,-60.27997218,179.24891091,196.52606683,193.27744106
248.59985006,-1.54434609,0.26170762,2.34660882

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443196/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.66249

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-1.73751

>  <SCORE.INTRA.DIHEDRAL>
-3.12599

>  <SCORE.INTRA.DIHEDRAL.0>
3.95416

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.174512

>  <SCORE.INTRA.VDW.0>
-1.18998

>  <SCORE.INTRA.norm>
-0.102206

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.450735

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000340

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  183.1583  226.7083  254.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6637  227.0570  254.4161 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.9480  228.2081  253.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3971  228.5651  253.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4447  227.4431  252.9783 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.3035  226.2329  253.9605 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.6597  225.9040  254.0268 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.1348  224.5793  254.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8534  224.7414  256.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6077  225.9378  256.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7869  227.3005  255.9885 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.8858  228.4441  256.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0901  228.9369  257.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6459  229.9700  258.2043 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6817  228.0396  258.9027 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9751  228.3236  260.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1312  227.4953  260.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7846  226.0367  261.1047 N   0  3  0  0  0  0  0  0  0  0  0  0
  184.3530  225.6767  260.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.9100  225.1124  261.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7364  225.9986  262.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1590  225.7641  258.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0391  224.4467  258.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6244  223.4017  257.0945 S   0  0  0  0  0  0  0  0  0  0  0  0
  183.5890  223.7781  259.4132 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.2696  223.3367  259.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9305  222.1865  259.2869 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.1906  224.3870  259.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8509  223.9746  259.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8044  224.8988  259.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0556  226.2619  259.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3641  226.6988  259.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4201  225.7679  259.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9766  227.0784  259.2884 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.8399  228.1435  260.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7559  224.7856  253.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3409  226.4257  255.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3034  227.5401  256.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6824  228.1618  252.9857 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3402  227.1175  258.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.2697  223.3304  260.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0492  227.4204  256.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4426  227.5594  252.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  1  0  0  0
  6  7  1  0  0  0  0
  6 36  1  6  0  0  0
  6 37  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 24  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-178.68380299,62.10199674,-169.62192238,104.49189495,-103.85333995,-73.06972527
50.52807572,96.26230412,100.95667595,167.91608113,135.44679677,-179.76153840
183.99767040,226.20418695,257.45125084,0.52009850,0.60029845,-0.57805111

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443197/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.03481

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-17.4348

>  <SCORE.INTRA.DIHEDRAL>
-15.6694

>  <SCORE.INTRA.DIHEDRAL.0>
23.2998

>  <SCORE.INTRA.POLAR>
-1.23057

>  <SCORE.INTRA.POLAR.0>
-2.016

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.41618

>  <SCORE.INTRA.VDW.0>
0.672281

>  <SCORE.INTRA.norm>
-0.458811

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
-0.0535476

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000077

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  215.1236  195.8273  244.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0293  194.6910  245.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4748  195.2186  245.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5380  194.2435  246.8524 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.3245  193.1036  247.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5543  192.5216  249.1986 Br  0  0  0  0  0  0  0  0  0  0  0  0
  215.6015  195.7892  248.1138 Br  0  0  0  0  0  0  0  0  0  0  0  0
  215.8526  193.5134  244.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8338  193.0683  243.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4460  192.9977  244.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7837  192.4567  245.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3042  191.3153  245.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4319  190.6209  245.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9056  189.5089  246.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2369  189.0698  247.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0874  189.7249  247.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6254  190.8457  246.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8388  187.7163  248.0503 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  1  0  0  0
  5  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
178.58680587,120.20041679,-175.52599576,-63.12469294,-66.26350816,-0.04227134
215.48573401,192.73682303,247.10602785,0.34270614,-1.49215687,-1.30763027

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443198/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.82212

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-5.57788

>  <SCORE.INTRA.DIHEDRAL>
-5.52831

>  <SCORE.INTRA.DIHEDRAL.0>
7.2291

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.81372

>  <SCORE.INTRA.VDW.0>
3.08342

>  <SCORE.INTRA.norm>
-0.309882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.323451

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000394

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  199.3685  205.6735  252.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6548  205.6381  253.6575 N   0  3  2  0  0  0  0  0  0  0  0  0
  199.5932  204.1577  254.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9082  204.0510  255.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2263  205.4302  256.1601 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.9712  206.2960  255.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5909  206.4654  254.4843 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.4621  207.9773  254.0554 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7906  208.7188  253.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5216  209.2725  254.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1795  209.1439  256.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9293  209.7628  257.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0335  210.5282  257.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3943  210.6490  255.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6761  210.0340  254.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1260  210.2156  253.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4434  209.6628  252.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2930  208.9245  252.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4781  209.5414  258.6278 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4593  209.2976  259.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7332  208.0757  252.8198 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3986  206.1035  255.4014 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.0901  206.1293  253.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7187  205.4157  255.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7771  206.0123  256.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8438  207.7078  252.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  8 21  1  6  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  6  0  0  0
 24 25  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-46.74896561,-81.66915804,61.23822628,138.88224751,-119.20509652,200.55455067
207.68828200,255.07490652,2.67876364,1.15437432,2.73975451

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443199/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.72409

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.67591

>  <SCORE.INTRA.DIHEDRAL>
1.99874

>  <SCORE.INTRA.DIHEDRAL.0>
1.43646

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.67529

>  <SCORE.INTRA.VDW.0>
0.725279

>  <SCORE.INTRA.norm>
-0.0670366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.308963

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000972

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  180.8777  221.0246  263.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8254  222.1322  262.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7715  221.6993  261.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4225  221.9088  260.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2813  221.5055  259.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5020  220.8852  259.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8725  220.6885  260.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0067  221.1001  261.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3835  220.5616  258.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9385  220.8058  257.2454 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5975  219.9476  258.6399 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5475  219.5849  257.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6695  218.8393  258.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5984  218.4435  257.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4267  218.8140  255.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3304  219.5937  255.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4085  219.9698  256.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2100  220.1051  253.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0846  219.8558  253.0059 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8171  220.6436  251.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6081  220.7215  250.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2406  221.5857  249.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0936  222.3662  249.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2874  222.3039  250.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6711  221.4352  251.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9127  221.1454  253.4976 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.7527  219.6008  259.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
92.51206412,-3.45138290,-172.89358241,1.23082734,186.41015463,220.70660054
256.40482381,2.20143918,-0.55431419,1.90919845

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443201/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95191

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-3.44809

>  <SCORE.INTRA.DIHEDRAL>
-8.75284

>  <SCORE.INTRA.DIHEDRAL.0>
9.65673

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.928326

>  <SCORE.INTRA.VDW.0>
-0.743647

>  <SCORE.INTRA.norm>
-0.132619

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.228919

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000671

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 55 60  0  0  0  0  0  0  0  0999 V2000
  199.3275  197.4146  250.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5461  196.5562  250.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3105  195.2393  250.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3647  194.2071  250.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1848  192.8126  251.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5488  192.0727  251.0769 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6210  192.4372  249.8051 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.9520  191.9994  250.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8713  192.1534  251.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3829  192.2681  252.4431 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1262  193.5926  253.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7669  194.1517  253.9627 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4146  195.6669  253.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4541  196.8268  253.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2274  198.2442  253.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2160  199.1350  252.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4319  198.6583  252.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6550  197.2934  252.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7114  196.4142  252.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4424  199.3246  251.5184 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3366  200.6836  251.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1161  199.0213  253.4107 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9512  198.5587  254.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7900  193.2033  254.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0156  192.0093  254.6194 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5530  193.7500  254.7659 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5836  194.2362  253.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1454  193.5715  252.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2417  194.2061  251.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7332  195.4792  252.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1496  196.1224  253.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0714  195.5163  254.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2953  191.0848  253.2751 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6558  193.7077  248.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4353  194.9310  248.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9870  196.0235  247.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7538  196.0010  247.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9708  197.2467  246.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6463  198.3845  247.8725 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2922  198.3549  249.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9431  197.1650  250.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8703  199.6887  247.2968 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1919  194.7425  247.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6739  193.6102  247.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5167  195.3049  249.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5405  194.6376  250.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4278  196.5027  249.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3943  196.9328  250.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9360  198.1403  250.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2687  198.3828  248.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3698  197.3878  248.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1510  190.5360  251.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1613  193.4266  255.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4403  191.0689  253.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2869  199.8272  246.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 41  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 52  1  6  0  0  0
  7  8  1  1  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 54  1  0  0  0  0
 34 44  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 45  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 43  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 42  1  6  0  0  0
 40 41  1  0  0  0  0
 42 55  1  0  0  0  0
 43 44  2  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 51  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
M  END
>  <CHROM.1>
49.81972964,-78.39936494,-124.96488218,-23.58085659,-175.09981218,9.41611129
-6.65614732,69.98487930,47.32360514,-14.30394429,61.73787458,176.90914498
202.49455431,195.62525648,251.15720089,2.51324826,-0.50318894,2.94932826

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443211/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.06303

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.296154

>  <SCORE.INTRA>
-13.337

>  <SCORE.INTRA.DIHEDRAL>
-3.85002

>  <SCORE.INTRA.DIHEDRAL.0>
11.3893

>  <SCORE.INTRA.POLAR>
-0.99176

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.03998

>  <SCORE.INTRA.VDW.0>
-3.08668

>  <SCORE.INTRA.norm>
-0.25648

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.0396736

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.215464

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  199.5139  207.3699  247.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6096  208.3588  246.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6013  209.5877  247.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4855  209.8416  248.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4107  208.8466  248.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4208  207.6168  248.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4467  211.1752  249.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6847  211.1201  250.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2392  210.7182  250.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2914  211.4885  250.3552 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0574  209.3729  250.1927 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8159  208.7065  250.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1127  209.0354  250.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
100.00901514,-60.81077651,-100.58657840,198.63238024,209.62904266,248.94208553
1.01728245,-0.05441511,-2.41767851

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443212/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.89082

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-1.50918

>  <SCORE.INTRA.DIHEDRAL>
0.363757

>  <SCORE.INTRA.DIHEDRAL.0>
1.81602

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.69106

>  <SCORE.INTRA.VDW.0>
0.113631

>  <SCORE.INTRA.norm>
-0.137198

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.626438

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001246

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  202.8271  202.6662  244.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6783  201.7723  244.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5222  202.5952  245.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3530  201.7185  245.6196 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3079  202.4898  246.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9457  201.9006  247.6837 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6405  200.9722  246.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1870  199.9685  247.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6697  200.7805  244.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8806  199.3840  244.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4313  198.5908  243.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7504  199.1695  242.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4879  200.5319  242.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9311  201.3142  243.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5230  201.5900  248.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-178.97720477,166.53934589,105.79803188,199.38910388,201.01733992,244.94194326
-0.89906870,-0.53805341,-1.76352207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443213/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.83611

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.563894

>  <SCORE.INTRA.DIHEDRAL>
-0.532475

>  <SCORE.INTRA.DIHEDRAL.0>
1.78678

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.297656

>  <SCORE.INTRA.VDW.0>
-1.45667

>  <SCORE.INTRA.norm>
-0.0402781

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.559722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011881

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  214.5935  181.3380  246.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0119  182.5591  247.3455 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0559  182.5853  248.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5935  181.5623  248.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4637  183.9545  248.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6654  185.0423  248.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3434  185.1686  248.3515 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9790  186.4616  247.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9514  186.7851  247.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0032  187.4986  248.3577 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2821  186.5876  249.2666 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.6173  188.2819  247.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3763  187.3937  246.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7759  187.3081  246.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4762  186.4855  245.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7827  185.7454  244.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3926  185.8029  244.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6906  186.6227  245.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6498  184.7632  243.3350 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.2699  184.2955  248.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2433  184.0102  247.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2838  183.0320  248.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3127  182.3544  249.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3056  182.6458  250.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2880  183.6000  249.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9361  184.0553  249.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1575  184.1388  249.3954 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5576  183.4037  247.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  3  0  0  0  0
M  END
>  <CHROM.1>
26.11431564,-145.49612443,-61.66914743,-100.26388902,215.56265659,184.86832189
247.42970678,-2.68583382,0.63547369,-0.10256859

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443214/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56927

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-2.83073

>  <SCORE.INTRA.DIHEDRAL>
1.1234

>  <SCORE.INTRA.DIHEDRAL.0>
2.6772

>  <SCORE.INTRA.POLAR>
-0.390606

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.06437

>  <SCORE.INTRA.VDW.0>
-2.65023

>  <SCORE.INTRA.norm>
-0.104842

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.243306

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000362

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  205.6672  205.9262  247.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8223  205.9346  246.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7529  206.9585  248.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1689  207.7939  247.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6978  206.8053  249.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0976  207.4883  249.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
-0.01508035,179.98182999,204.99775259,206.71035087,247.85042967,-0.81442522
-0.88675492,1.73531606

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443215/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.90963

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-1.49037

>  <SCORE.INTRA.DIHEDRAL>
-1.19585e-05

>  <SCORE.INTRA.DIHEDRAL.0>
1.50973e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.49036

>  <SCORE.INTRA.VDW.0>
1.31058

>  <SCORE.INTRA.norm>
-0.298074

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
0.981926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.203813

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  210.3212  196.1193  250.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4088  196.6959  250.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2612  197.3226  248.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0147  197.4106  248.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9377  196.7681  248.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0826  196.1376  250.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8300  198.2493  246.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5158  198.4726  246.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2572  199.2131  245.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2957  199.7724  244.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5925  199.5418  245.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9291  198.7439  246.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1583  198.4995  246.3625 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1  13  -1
M  END
>  <CHROM.1>
-170.59274167,210.07994877,197.92535212,247.46474386,1.48277494,0.06290778
2.11904415

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443216/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20995

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.190048

>  <SCORE.INTRA.DIHEDRAL>
-0.936431

>  <SCORE.INTRA.DIHEDRAL.0>
1.08046

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.278167

>  <SCORE.INTRA.VDW.0>
-0.292674

>  <SCORE.INTRA.norm>
-0.0146191

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.477689

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.090507

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  217.6282  191.2665  235.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0861  191.4336  236.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7813  191.3789  237.9931 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7554  191.7064  237.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0886  191.9042  238.3122 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6637  192.2713  237.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5952  192.0206  238.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5029  190.5675  238.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7009  190.3298  239.8577 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.1038  190.5919  239.2379 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.1065  190.4941  240.4933 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.7330  189.4519  241.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5540  188.7032  241.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6835  188.9102  240.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9998  188.0159  239.8675 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0455  187.8552  242.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7563  187.7001  243.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9674  188.3744  243.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4470  189.2303  242.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6247  189.8619  243.0962 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1972  191.7832  241.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7584  190.6175  242.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3151  192.0711  241.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.57611943,176.35459145,59.72350841,14.51087641,215.24861848,190.23047919
240.01102434,-1.48223124,0.19836640,2.05651869

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443217/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.74496

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-10.145

>  <SCORE.INTRA.DIHEDRAL>
-18.9862

>  <SCORE.INTRA.DIHEDRAL.0>
19.5995

>  <SCORE.INTRA.POLAR>
-0.0978589

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.319157

>  <SCORE.INTRA.VDW.0>
-0.589386

>  <SCORE.INTRA.norm>
-0.483093

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
-0.130712

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000449

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  220.4690  179.9788  251.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6516  181.0194  251.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2121  182.2523  251.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6045  182.4648  251.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4113  181.3956  251.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8458  180.1646  251.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1216  183.7638  250.8001 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5428  185.0009  250.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4966  185.8729  250.2508 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.6763  185.2051  250.3847 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.4736  183.9482  250.7382 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8558  185.3840  250.4907 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.4595  185.8297  252.2290 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.1095  186.5299  252.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0092  187.7560  253.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7786  188.4034  253.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6285  187.8227  252.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7069  186.6078  251.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9435  185.9730  251.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3306  188.4901  252.7696 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.2998  189.5481  253.4141 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3402  187.9504  252.2559 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.4987  184.5339  253.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5018  183.8507  253.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8021  184.0717  253.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8383  182.8276  254.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0430  182.3221  254.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2117  183.0660  254.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1781  184.3238  254.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9742  184.8302  253.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7060  182.4279  255.2159 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
4.66311987,85.64907476,165.54101248,-128.36881820,-94.45259928,-173.82755660
220.05411244,184.61073234,252.44123392,0.18166103,0.59931034,-1.96317453

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443226/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.13912

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-3.26088

>  <SCORE.INTRA.DIHEDRAL>
1.71556

>  <SCORE.INTRA.DIHEDRAL.0>
4.69703

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.11866

>  <SCORE.INTRA.VDW.0>
-2.91328

>  <SCORE.INTRA.norm>
-0.10519

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.262552

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  199.7136  206.0589  245.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9666  207.3717  246.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1630  207.9177  245.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9182  208.4802  246.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1392  209.0571  246.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5817  209.0918  245.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8503  208.5679  244.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6252  207.9750  244.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2699  208.6093  242.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8719  209.7500  245.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5270  209.9429  244.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1821  210.0939  246.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1447  209.6992  247.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1421  209.0557  242.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-131.31218406,0.19577171,202.85694320,208.65822006,245.31132745,3.13628785
0.54064607,1.42017008

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443227/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.21922

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.180778

>  <SCORE.INTRA.DIHEDRAL>
1.6123

>  <SCORE.INTRA.DIHEDRAL.0>
1.18011

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.98693

>  <SCORE.INTRA.VDW.0>
1.97391

>  <SCORE.INTRA.norm>
-0.013906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.478402

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002202

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  185.6904  202.0043  257.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4035  202.7846  256.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2829  204.2698  256.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2580  204.8839  256.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2127  206.2550  256.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0442  206.9913  255.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0830  208.3775  255.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2875  209.0499  256.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4527  208.3217  256.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4144  206.9236  256.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3121  210.5086  255.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2596  211.2029  255.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4578  210.7078  254.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7780  209.5472  254.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0875  211.8427  254.1278 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3853  212.9736  254.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6326  214.1291  254.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2928  212.5656  255.2389 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2947  211.8216  253.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5399  211.8531  254.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1853  210.6624  254.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3680  210.6972  255.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9187  211.9216  255.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2822  213.1123  255.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0945  213.0780  254.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4050  211.9634  256.5422 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.6160  213.2079  255.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
119.42781873,-179.84516793,-52.46600812,-136.39156197,-90.64297956,94.51721111
189.07126288,209.67724599,255.51708402,-2.35253268,-0.13396401,-0.31411642

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443228/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.5911

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-3.8089

>  <SCORE.INTRA.DIHEDRAL>
-7.33504

>  <SCORE.INTRA.DIHEDRAL.0>
19.2619

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.141376

>  <SCORE.INTRA.VDW.0>
-0.612854

>  <SCORE.INTRA.norm>
-0.146496

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.291966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000693

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  187.9211  215.8626  252.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4699  216.0261  253.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8624  215.6290  253.9173 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2997  214.3794  254.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5812  213.4102  254.5065 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8066  214.4768  254.5837 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.0714  215.7932  254.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9117  216.4864  253.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8771  217.6829  253.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5717  213.2976  253.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3781  213.1853  252.6073 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.9131  213.4439  254.1215 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.2400  212.1086  254.4990 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.0211  214.6067  255.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9614  216.2679  254.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.9726  214.7637  256.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  1  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-95.25149742,55.99713127,-173.82570385,191.17490761,214.64275218,254.01326981
2.43947333,-0.19022185,-0.00992086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443229/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.38582

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-3.01418

>  <SCORE.INTRA.DIHEDRAL>
-4.28061

>  <SCORE.INTRA.DIHEDRAL.0>
6.20123

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.873873

>  <SCORE.INTRA.VDW.0>
-1.08464

>  <SCORE.INTRA.norm>
-0.215298

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.313273

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044937

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  193.3125  220.4099  263.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6568  220.8778  262.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2975  219.9710  261.5267 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5729  219.3268  261.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8778  220.0147  261.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7985  220.0116  260.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0227  220.8940  259.8298 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1997  218.9825  259.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4070  219.2482  257.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8267  218.1467  257.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0139  216.8655  257.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8118  216.6245  258.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4803  217.6988  259.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8728  215.3414  259.4559 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0254  214.1469  258.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1708  213.9946  257.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9140  212.9322  259.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9224  211.6878  258.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8077  210.5281  259.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7012  210.5975  261.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7118  211.8391  261.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8184  213.0102  261.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7855  208.8455  258.8693 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.1608  220.4313  257.0718 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0003  221.6146  257.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9251  222.7169  256.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5129  223.1068  256.1855 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7026  221.9647  255.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7707  220.8204  256.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1817  224.3734  255.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6145  224.8012  254.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3433  226.0834  253.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6172  226.9819  254.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1580  226.5884  255.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4314  225.3064  256.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8548  225.0924  257.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6923  224.5233  258.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6210  215.2826  260.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
-115.36567490,-91.08702350,-143.93168064,65.33055243,-5.77552320,173.67592342
60.59795609,49.49744539,195.15155133,217.95919709,258.57411151,-2.87342415
1.44373372,-2.03530116

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443230/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.00817

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.362162

>  <SCORE.INTRA>
-8.39183

>  <SCORE.INTRA.DIHEDRAL>
-10.4674

>  <SCORE.INTRA.DIHEDRAL.0>
20.4871

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00684286

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.19234

>  <SCORE.INTRA.VDW.0>
1.52145

>  <SCORE.INTRA.norm>
-0.226806

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.135356

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000573

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  211.6456  206.6156  251.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6809  207.2530  250.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6357  207.8522  251.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6445  208.4559  250.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7775  209.2422  251.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7155  209.9115  250.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4996  209.8278  249.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3977  209.0390  248.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4641  208.3669  249.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3471  210.5765  248.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1845  210.9251  249.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8910  211.9265  248.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7839  209.7683  247.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1175  208.4339  247.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3587  207.3710  246.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7881  206.8904  246.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2103  205.9647  247.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5446  205.5476  247.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4590  206.0410  246.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0501  206.9691  245.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7229  207.3975  245.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0714  204.4001  248.9863 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.5754  205.1644  250.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4446  205.0271  251.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1505  205.6203  252.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9811  206.3587  253.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1034  206.4963  251.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3982  205.9018  250.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-178.54638583,-168.49930129,-22.92123668,64.73699593,-145.22481288,72.34493951
78.50933398,-54.78017360,-142.27471478,207.22192382,207.50251921,249.32573742
-0.02056670,-0.92738789,0.78451392

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443232/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.88336

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-5.51664

>  <SCORE.INTRA.DIHEDRAL>
0.369661

>  <SCORE.INTRA.DIHEDRAL.0>
9.78429

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.70147

>  <SCORE.INTRA.VDW.0>
1.49335

>  <SCORE.INTRA.norm>
-0.197023

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.317263

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002717

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  189.6143  229.3987  260.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2241  228.3902  259.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2873  227.9933  258.3494 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.0057  229.1381  257.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2404  229.4672  256.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7956  228.2271  255.8190 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.0302  227.1169  256.7545 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8538  226.7896  257.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9125  227.7964  254.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7956  227.3737  257.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  6  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
67.20814677,190.00567872,228.25841215,257.45451869,2.01528561,-1.23702775
1.76572473

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443233/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.13477

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.265228

>  <SCORE.INTRA.DIHEDRAL>
0.212239

>  <SCORE.INTRA.DIHEDRAL.0>
0.0573406

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.371347

>  <SCORE.INTRA.VDW.0>
0.578007

>  <SCORE.INTRA.norm>
-0.0294698

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.681641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022629

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  214.4186  188.8178  254.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0156  187.5502  253.7129 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.3064  187.0782  254.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5845  187.6696  253.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6417  187.4328  252.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4885  188.1479  251.5733 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.1205  187.6767  252.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0674  187.2592  251.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1082  187.2333  249.9427 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.1288  188.2701  249.5107 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4979  187.8364  250.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8840  188.4980  248.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5182  188.6040  248.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8509  189.3928  247.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9197  187.5688  249.0404 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.6472  188.0399  249.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8356  189.3880  250.3877 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.6409  189.3080  251.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1292  190.0986  249.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6150  189.8582  251.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9563  190.9718  252.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3189  192.2479  251.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5982  192.1652  250.6556 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8267  192.4314  249.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1670  192.1494  249.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7343  191.7255  250.3252 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7588  191.7253  251.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7581  189.6807  251.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  1  0  0  0
  7  8  2  0  0  0  0
  9  8  1  1  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
66.43344286,-55.26363408,163.04383646,70.16454676,-71.58020328,127.89303155
214.12838349,189.22474145,250.87683409,0.32027943,-0.75391305,1.27230345

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443242/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.37016

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-2.02984

>  <SCORE.INTRA.DIHEDRAL>
1.70757

>  <SCORE.INTRA.DIHEDRAL.0>
2.18929

>  <SCORE.INTRA.POLAR>
0.0262204

>  <SCORE.INTRA.POLAR.0>
-0.0262204

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.97277

>  <SCORE.INTRA.VDW.0>
-1.30254

>  <SCORE.INTRA.norm>
-0.0780707

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.360391

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000431

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  219.0082  191.9280  236.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7064  191.6173  236.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1712  192.2000  237.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9403  193.0893  238.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2470  193.4201  237.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7760  192.8190  236.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0772  194.3685  238.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5956  193.6840  239.9937 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8035  192.9392  240.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1451  193.3798  241.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2938  192.6012  242.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6415  193.0795  243.7829 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2720  191.2372  242.6156 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8924  190.6947  241.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7121  189.3207  241.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2533  188.7038  240.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9735  189.4619  239.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1650  190.8353  239.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6212  191.4888  240.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2162  194.7692  242.2840 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.3781  195.5178  241.7622 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1247  195.1221  243.0504 O   0  5  0  0  0  0  0  0  0  0  0  0
  217.4031  193.6346  239.4434 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.3092  194.2424  240.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
77.23117047,-50.58757813,-89.12476366,218.94720638,192.52488219,240.20803219
-1.98068976,1.56162871,1.60092280

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443243/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.46635

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-3.93365

>  <SCORE.INTRA.DIHEDRAL>
-1.4444

>  <SCORE.INTRA.DIHEDRAL.0>
2.87323

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.21145

>  <SCORE.INTRA.VDW.0>
-0.995204

>  <SCORE.INTRA.norm>
-0.171028

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.194189

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000190

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  186.7893  215.3296  258.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5541  216.8165  258.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7472  217.5204  257.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9757  217.4949  258.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9337  216.2853  258.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2802  215.0699  259.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7732  215.0135  259.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2553  215.4780  257.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4678  214.5823  256.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7140  215.3497  257.0992 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7399  216.2391  258.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4182  216.9430  258.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8989  214.4579  257.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2415  215.1406  256.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2019  215.8925  255.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3360  217.1290  255.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7200  218.2067  255.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9452  216.9848  254.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0291  218.0113  255.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7221  217.9086  254.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3411  216.7753  253.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2439  215.7520  253.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5532  215.8549  254.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0872  216.6781  253.4168 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
159.70770408,-55.89166475,69.39673696,82.21832429,167.45293881,191.13191439
216.28587680,256.68080611,2.65637579,-0.10928612,1.85823973

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443244/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.88234

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-4.51766

>  <SCORE.INTRA.DIHEDRAL>
1.93084

>  <SCORE.INTRA.DIHEDRAL.0>
1.77605

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.48308

>  <SCORE.INTRA.VDW.0>
2.38374

>  <SCORE.INTRA.norm>
-0.188236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.245098

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000703

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  195.2747  218.4685  259.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6162  217.3243  259.9894 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3585  217.5498  260.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7784  218.6317  260.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7094  216.2668  261.0113 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3235  215.2688  259.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4756  214.7051  259.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8024  215.2355  257.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8673  214.7177  257.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6155  213.6565  257.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2907  213.1072  258.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2237  213.6241  259.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6138  215.7108  262.0315 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3315  214.5753  262.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2963  213.9360  262.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4045  214.0881  263.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0899  213.1718  264.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0669  212.7479  265.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3677  213.2427  265.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6939  214.1794  264.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7057  214.6024  263.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1016  215.5713  262.6142 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.0927  215.1993  261.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5302  216.6583  263.0290 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.3826  216.3136  262.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
>  <CHROM.1>
1.92111387,-71.68669087,63.69187975,178.60385172,-98.95734380,163.23137463
194.53000282,215.17848723,261.37544320,2.55892805,1.32661956,-2.19111125

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443245/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.46364

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-2.93636

>  <SCORE.INTRA.DIHEDRAL>
-3.0374

>  <SCORE.INTRA.DIHEDRAL.0>
6.88863

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.41766

>  <SCORE.INTRA.VDW.0>
-1.09827

>  <SCORE.INTRA.norm>
-0.122348

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.352652

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005850

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  183.5166  210.0583  260.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5133  211.3487  261.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7771  212.3323  260.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6522  213.6258  261.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1524  213.9617  262.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8568  213.0192  263.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1495  211.6932  262.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1259  210.7517  263.6114 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.6381  209.3187  263.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6136  210.7222  263.0746 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.8978  210.6416  261.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0176  209.5482  260.9563 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7528  211.7846  260.7266 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4025  213.1020  261.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1443  214.2007  260.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3645  215.3113  260.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1605  216.3539  259.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7483  216.3041  258.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5350  215.2120  258.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7292  214.1582  259.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5542  212.9555  258.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9288  211.6840  259.2423 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.6413  211.3114  258.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4432  210.2296  257.9186 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6493  212.2313  258.5843 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4040  211.8606  263.5868 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2747  213.5790  264.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0554  214.5880  260.5145 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8432  211.9215  258.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.3701  211.7587  263.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.4211  211.8532  264.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.8065  214.1807  259.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
>  <CHROM.1>
-2.13615208,-47.87986485,-42.67305730,-90.39922554,175.81351711,-110.01555541
-176.72787412,185.23403916,212.51232770,260.91479121,-1.69269608,0.86804882
-0.71407145

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443246/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.506145

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-9.89385

>  <SCORE.INTRA.DIHEDRAL>
-3.5183

>  <SCORE.INTRA.DIHEDRAL.0>
7.57381

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.13471

>  <SCORE.INTRA.VDW.0>
0.884255

>  <SCORE.INTRA.norm>
-0.353352

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0180766

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003483

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  190.1152  214.3337  247.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4391  214.2098  248.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9855  215.5411  248.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1381  216.0245  249.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7259  217.3209  249.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0070  217.7924  248.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5468  216.6693  247.5089 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.6055  219.0529  248.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7865  219.3316  247.0858 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3900  220.5509  246.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5665  220.8076  245.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2133  221.9687  244.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7026  222.9114  245.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5278  222.6503  247.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8919  221.4817  247.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4132  224.1677  245.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8321  224.9635  246.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5360  224.3320  244.1069 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  1  18  -1
M  END
>  <CHROM.1>
113.03181030,-179.50629452,179.92274655,-179.54137920,193.87877121,219.49178575
247.17466455,2.74326863,1.05389089,1.67765330

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443247/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.20055

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-1.19945

>  <SCORE.INTRA.DIHEDRAL>
-3.33237

>  <SCORE.INTRA.DIHEDRAL.0>
3.45421

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.466732

>  <SCORE.INTRA.VDW.0>
-0.220118

>  <SCORE.INTRA.norm>
-0.0666363

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.455586

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000399

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  191.6079  203.6100  246.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6336  203.3623  245.8556 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.7381  202.4063  246.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8882  202.1350  245.3597 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7196  203.3904  245.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8594  203.6094  245.3999 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0421  204.2584  244.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7760  201.1102  245.9568 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9138  202.8167  244.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8665  202.1897  244.6738 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5474  203.0933  243.4765 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5622  205.0562  244.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5438  200.9153  245.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3050  200.2205  246.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3665  203.6160  243.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-176.47236867,-26.75780899,63.90542770,108.43532326,179.76708981,-179.97222108
-1.02502071,193.80435041,202.91634647,245.22998924,3.12707890,-0.02848946
-0.96690391

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443248/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.2865

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-4.1135

>  <SCORE.INTRA.DIHEDRAL>
0.0040366

>  <SCORE.INTRA.DIHEDRAL.0>
2.90383

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.715522

>  <SCORE.INTRA.VDW.0>
0.0447376

>  <SCORE.INTRA.norm>
-0.373955

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.5715

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002667

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  202.8860  198.0192  246.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2655  197.3914  246.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7896  197.1641  247.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1914  196.1412  245.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4477  196.0545  243.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7679  197.0121  243.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3497  194.6495  243.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8986  194.1599  243.1415 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.7986  192.7275  242.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8328  192.4127  241.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7111  191.1147  241.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5515  190.1026  241.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5198  190.3907  242.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6413  191.6886  243.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1035  194.1759  244.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9793  194.9655  244.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4287  194.5782  245.8856 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0932  193.4696  246.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7760  192.6046  247.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7701  191.7458  247.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0281  191.7486  247.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2773  192.5057  246.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2703  193.3584  245.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4614  195.3525  246.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8564  195.5526  248.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1240  196.0618  248.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4967  196.2914  249.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6168  196.0017  250.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3871  195.4217  250.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0221  195.1766  249.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8969  195.3053  245.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
94.64955856,76.64731467,-177.80265347,-139.89769750,116.16982520,-127.76368179
51.94704369,202.21933768,194.33488874,245.66222108,-2.02004184,-0.86760135
-2.43642188

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443249/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.87397

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-3.52603

>  <SCORE.INTRA.DIHEDRAL>
-2.58987

>  <SCORE.INTRA.DIHEDRAL.0>
8.76596

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.2311

>  <SCORE.INTRA.VDW.0>
-4.35479

>  <SCORE.INTRA.norm>
-0.117534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.295799

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002566

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  206.7499  209.2455  245.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2543  209.0775  246.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5725  209.3562  244.8271 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2022  209.2729  244.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4523  210.4191  245.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0507  210.3647  245.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3976  209.1671  244.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1215  208.0295  244.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5139  208.0891  244.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5113  209.0737  245.0226 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.2797  211.9611  245.5384 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.3338  213.0333  245.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9116  211.7813  246.8369 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5092  212.0817  244.3888 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5085  213.1536  244.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1484  214.0648  243.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7410  213.1051  242.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2199  211.8424  242.9242 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9820  210.6671  242.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3432  210.0000  241.3936 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1598  210.4870  242.6885 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-178.44474723,89.76266392,157.42226350,-172.23330860,143.59070076,202.73077374
210.49193784,244.56945033,-0.41151808,-0.15380247,3.06082470

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443258/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.7203

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-2.6797

>  <SCORE.INTRA.DIHEDRAL>
2.16592

>  <SCORE.INTRA.DIHEDRAL.0>
6.23927

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.76266

>  <SCORE.INTRA.VDW.0>
-1.50451

>  <SCORE.INTRA.norm>
-0.127605

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.367633

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000379

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  219.0569  178.9997  238.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0762  178.0454  237.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3885  177.2521  236.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7107  176.3607  237.9589 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9067  176.6718  238.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6409  177.0315  240.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3755  176.2279  241.2095 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9721  177.0805  242.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0279  178.3764  241.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4400  178.3603  240.4707 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5117  176.6921  243.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1771  177.5093  244.4201 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4741  175.3399  243.7564 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9963  174.9392  245.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0051  175.1657  238.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2107  174.8386  237.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2084  174.4185  239.1708 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1442  173.7148  239.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0587  172.3204  239.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0087  171.6307  240.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0310  172.3291  241.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1051  173.7188  241.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1641  174.4083  240.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1719  176.3058  240.6269 Br  0  0  0  0  0  0  0  0  0  0  0  0
  220.8769  174.8112  239.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
62.21088582,-114.28267759,115.75045828,78.55923167,179.73259437,-178.64462722
141.64289549,106.63990492,219.53793533,175.88059042,240.42271532,-1.52011472
1.04825915,1.72450466

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443259/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.55714

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-6.84286

>  <SCORE.INTRA.DIHEDRAL>
0.262796

>  <SCORE.INTRA.DIHEDRAL.0>
4.61877

>  <SCORE.INTRA.POLAR>
-0.999593

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.57564

>  <SCORE.INTRA.VDW.0>
-0.259839

>  <SCORE.INTRA.norm>
-0.285119

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.273214

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000047

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  181.6957  216.1900  260.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1929  215.8560  260.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1295  216.5897  261.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3352  216.6932  263.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.2460  218.0226  263.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6360  218.5224  263.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0734  218.9037  262.5155 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.3967  218.2183  264.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.6504  216.8511  264.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5402  215.9743  264.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8178  214.8909  265.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1991  214.6308  265.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6306  213.7270  266.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7196  213.0891  267.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2294  213.1902  267.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8520  214.1841  266.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.6304  213.4215  268.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8576  211.7549  266.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2561  215.3609  265.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9678  216.5121  264.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0701  217.4256  264.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9177  218.6364  264.2260 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3977  216.7817  264.0487 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.4541  215.3397  264.5659 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.5597  215.1003  265.6306 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8565  215.0441  265.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6610  216.8430  262.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  6  0  0  0
 24 25  1  0  0  0  0
 24 26  1  1  0  0  0
M  END
>  <CHROM.1>
-57.71517185,124.87481196,182.02474734,215.85492398,264.64514691,1.21544588
-0.05952871,-0.82082432

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443260/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.28299

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.274074

>  <SCORE.INTRA>
-5.11701

>  <SCORE.INTRA.DIHEDRAL>
-0.294524

>  <SCORE.INTRA.DIHEDRAL.0>
0.344014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.96975

>  <SCORE.INTRA.VDW.0>
3.281

>  <SCORE.INTRA.norm>
-0.189519

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0845551

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000576

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  206.5907  200.3403  250.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5438  200.1074  249.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6168  201.3049  249.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6546  201.0466  248.2994 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0830  201.8307  248.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
179.97650372,-179.98394719,205.04510675,200.72415233,249.36642996,0.04628539
-0.66325306,0.51861982

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443261/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.11946

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-0.280536

>  <SCORE.INTRA.DIHEDRAL>
-0.002307

>  <SCORE.INTRA.DIHEDRAL.0>
0.00231036

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.279382

>  <SCORE.INTRA.VDW.0>
0.0995088

>  <SCORE.INTRA.norm>
-0.0701339

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.52987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007977

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 43  0  0  0  0  0  0  0  0999 V2000
  213.5424  183.5266  248.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3722  184.9719  248.6755 N   0  3  1  0  0  0  0  0  0  0  0  0
  212.3285  185.0770  248.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7404  185.2588  250.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0646  186.5044  250.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0055  187.6964  250.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5483  188.2282  249.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2253  189.5842  249.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8074  190.0682  248.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7399  190.2254  247.3224 N   0  3  1  0  0  0  0  0  0  0  0  0
  213.8876  190.5309  247.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0236  191.3315  246.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3951  188.9044  246.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1170  188.9411  245.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8079  189.1777  246.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8195  189.2443  245.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1352  189.0514  243.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4456  188.7724  243.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4276  188.7107  244.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8403  188.4279  244.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5947  188.1265  243.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9580  187.8833  243.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5512  187.9346  244.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7941  188.2500  245.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4377  188.5005  245.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8156  185.9795  247.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2771  185.7668  247.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4131  185.8005  248.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6118  185.3287  247.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6668  184.8488  246.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5320  184.8658  245.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3421  185.3418  245.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0136  185.4044  245.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5540  185.0129  244.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1777  185.0516  243.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2824  185.5231  244.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7434  185.9475  246.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0998  185.8304  246.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 38  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  CHG  2   2   1  10   1
M  END
>  <CHROM.1>
-155.88347726,-55.99141624,-106.31733332,64.63173060,167.53820906,177.65217939
60.13855374,34.04126230,166.63075824,214.32550924,187.23894552,246.47644919
0.66578639,1.30924230,2.89267626

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443262/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.28659

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-6.11341

>  <SCORE.INTRA.DIHEDRAL>
7.0927

>  <SCORE.INTRA.DIHEDRAL.0>
1.40559

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.65976

>  <SCORE.INTRA.VDW.0>
0.0943416

>  <SCORE.INTRA.norm>
-0.169817

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.230183

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003218

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 45  0  0  0  0  0  0  0  0999 V2000
  200.1659  218.6530  257.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6612  218.6926  257.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0198  219.8487  258.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5733  219.9031  258.1564 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9358  220.1020  256.8555 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.7420  220.9469  257.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7826  221.5229  256.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8046  222.3343  256.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7916  222.5636  258.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7544  221.9789  259.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7000  221.1749  258.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8674  220.5397  259.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1850  220.6769  260.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4753  218.8153  256.3518 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8409  217.8298  257.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5261  216.8226  257.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8463  215.8824  258.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4626  215.9503  258.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7511  216.9995  258.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4338  217.8914  257.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2930  217.1786  258.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7821  216.4439  259.3242 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5734  218.2149  257.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8578  219.6250  258.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6148  220.4668  257.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2426  220.4426  256.3484 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.9325  218.9611  256.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0266  217.9607  256.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2026  221.1986  255.5312 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2866  220.7459  254.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9447  219.5418  254.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9367  219.4260  253.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2748  220.5053  252.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6413  221.7319  252.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6667  221.8069  253.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8477  222.8874  254.1423 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8776  222.5158  255.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9204  223.2181  255.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9863  218.9580  255.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.8222  223.7598  253.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 29 37  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 40  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
-178.61037797,-61.94365764,42.27533675,-89.37666095,4.64662899,-68.05776799
100.32379467,193.13730913,219.79136400,256.91165481,-0.47758879,-0.15869004
-0.59954409

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443263/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.304857

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.326316

>  <SCORE.INTRA>
-12.0951

>  <SCORE.INTRA.DIHEDRAL>
-11.6673

>  <SCORE.INTRA.DIHEDRAL.0>
14.628

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.26147

>  <SCORE.INTRA.VDW.0>
-3.07478

>  <SCORE.INTRA.norm>
-0.318293

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.00802256

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000100

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  208.5731  197.2136  245.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5047  196.0360  245.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0634  195.5962  247.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9172  194.4864  247.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2710  193.8341  246.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7249  194.2851  244.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8355  195.3658  244.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1412  192.7211  246.0380 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4870  192.8177  245.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9572  193.5824  244.9033 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3664  191.9970  246.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0737  191.0732  247.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8878  190.6361  248.0774 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9446  189.6463  248.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2221  189.0230  249.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3613  189.4952  248.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3043  190.5195  247.9374 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3420  191.0894  247.2801 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7724  191.9635  246.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7019  188.9447  249.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3298  188.4943  248.0884 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.5095  189.9283  249.7053 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.6882  189.0675  249.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4602  189.6442  249.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2695  189.1136  249.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2992  188.0086  250.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5161  187.4160  250.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7060  187.9378  250.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6655  193.9690  248.8679 Br  0  0  0  0  0  0  0  0  0  0  0  0
  211.8732  191.9255  246.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-99.65423378,-34.63247547,3.74731048,-3.50625450,121.39989597,212.66297588
191.83938245,247.93861012,2.18953909,0.23866173,-0.56929443

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443264/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.85061

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-4.54939

>  <SCORE.INTRA.DIHEDRAL>
-1.54119

>  <SCORE.INTRA.DIHEDRAL.0>
3.24611

>  <SCORE.INTRA.POLAR>
-0.441104

>  <SCORE.INTRA.POLAR.0>
-0.268059

>  <SCORE.INTRA.REPUL>
-0.155224

>  <SCORE.INTRA.REPUL.0>
0.155224

>  <SCORE.INTRA.VDW>
-1.50292

>  <SCORE.INTRA.VDW.0>
-1.62848

>  <SCORE.INTRA.norm>
-0.156875

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.201745

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  188.8539  224.2895  252.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7471  223.9079  253.8699 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.7606  222.3633  254.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4699  221.6990  253.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2735  222.3117  254.1202 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1665  223.7746  253.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4446  224.4775  254.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5391  221.6702  255.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3422  221.0068  254.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5902  220.3295  255.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0210  220.2967  257.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2054  220.9369  257.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9543  221.6094  256.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9458  224.4934  254.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-101.01760337,186.68628938,222.43794720,254.77878779,0.56527805,-0.53653604
-1.34749543

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443265/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.15151

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-1.24849

>  <SCORE.INTRA.DIHEDRAL>
0.00320128

>  <SCORE.INTRA.DIHEDRAL.0>
0.476007

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.25009

>  <SCORE.INTRA.VDW.0>
0.424892

>  <SCORE.INTRA.norm>
-0.089178

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.367965

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.063703

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  222.7260  175.0638  254.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9729  173.8871  255.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9843  174.3248  256.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5928  175.2219  257.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3263  176.4197  256.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3816  176.0066  255.3731 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.0472  177.2082  254.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2647  178.2541  254.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8417  179.3421  253.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2225  179.4180  253.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0239  178.4111  253.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4444  177.3262  254.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4246  175.2962  256.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2231  173.1713  256.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7064  173.4186  256.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9914  173.4894  255.1014 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5050  173.4057  255.2996 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9080  174.7426  255.4331 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6669  175.6519  256.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2803  176.2276  257.1715 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9566  175.8979  255.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7870  176.9988  255.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6872  177.2566  254.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7027  176.4297  253.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0715  175.1769  253.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3184  174.8549  254.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8063  172.5591  254.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8314  171.6135  254.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2713  170.7274  253.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6734  170.7642  252.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6213  171.6998  251.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1791  172.5919  252.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8301  175.8851  256.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.8033  175.0770  254.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  6  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-125.76593381,74.30052225,-179.22586248,63.79326806,166.32356534,134.83161897
219.79118870,175.08247900,254.85670032,-0.47152272,-0.22657891,-2.63997329

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443266/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45749

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-3.94251

>  <SCORE.INTRA.DIHEDRAL>
1.63074

>  <SCORE.INTRA.DIHEDRAL.0>
2.45379

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.75788

>  <SCORE.INTRA.VDW.0>
-0.258002

>  <SCORE.INTRA.norm>
-0.123203

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.201797

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002992

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  198.0241  203.6921  255.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4384  203.8090  253.5313 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7532  204.5636  253.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0078  203.9890  253.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1892  204.7235  253.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1337  206.0256  252.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9051  206.6089  252.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7300  205.8879  252.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7634  204.0807  253.8029 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.1116  202.3731  254.3183 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.5059  202.4754  252.9284 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8662  202.5309  251.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5640  202.0912  252.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
75.59468862,-174.53124308,200.89308266,204.07127112,253.64545085,-2.89830136
-0.04173724,-0.34132522

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443267/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.92026

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.479739

>  <SCORE.INTRA.DIHEDRAL>
0.0452373

>  <SCORE.INTRA.DIHEDRAL.0>
0.750595

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.502357

>  <SCORE.INTRA.VDW.0>
-0.271692

>  <SCORE.INTRA.norm>
-0.0436126

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.629115

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000519

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  201.4198  206.0136  256.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0882  206.7435  256.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0271  206.0678  257.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6994  206.8176  257.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6151  206.1647  258.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2699  206.8962  258.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1517  206.2800  259.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8329  207.0480  259.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7107  206.4395  259.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4095  207.2280  259.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4201  206.6017  260.6109 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1925  207.1716  260.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8913  208.5001  259.6203 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.1105  206.3417  261.6004 S   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  14  -1
M  END
>  <CHROM.1>
-179.91175017,179.98313904,-179.85729926,-179.90576884,179.51339108,-179.80111660
-179.91623165,179.88588175,-179.72394054,3.57489862,192.78918552,206.83440658
259.23146051,-0.11801790,-0.26948172,2.47595228

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443268/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.74029

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.1

>  <SCORE.INTRA>
-5.65971

>  <SCORE.INTRA.DIHEDRAL>
-12.4155

>  <SCORE.INTRA.DIHEDRAL.0>
12.4629

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.548055

>  <SCORE.INTRA.VDW.0>
0.660923

>  <SCORE.INTRA.norm>
-0.404265

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.695735

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.074492

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  186.7215  210.9345  266.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4005  211.2680  265.3682 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.2627  210.4233  264.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1605  210.8494  263.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9265  209.1089  264.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0779  210.9971  265.1194 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.4070  209.5441  267.1910 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5039  208.5875  263.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.6554  208.9210  266.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.3987  209.4482  267.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  6  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
-63.26098000,39.25645396,-111.56872806,-179.96245790,186.65037167,210.40645669
265.29448601,-2.30318143,0.70180253,-1.03195078

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443269/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.589942

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-8.98994

>  <SCORE.INTRA.DIHEDRAL>
-1.35196

>  <SCORE.INTRA.DIHEDRAL.0>
2.78483

>  <SCORE.INTRA.POLAR>
-0.716869

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.87661

>  <SCORE.INTRA.VDW.0>
5.27954

>  <SCORE.INTRA.norm>
-1.28428

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
-0.0842775

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.095235

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  184.9270  215.8857  260.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5081  214.4796  261.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1133  214.3196  262.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4679  213.4053  260.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3050  213.3035  261.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3672  212.2916  261.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5677  211.3675  260.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6993  211.4854  259.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6505  212.4846  259.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6092  210.3351  260.0875 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.5687  209.1422  260.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4101  209.3689  262.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3467  209.0560  263.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.2420  209.9884  262.8664 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.8756  210.3219  264.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6219  210.9134  264.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1881  211.2326  265.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0102  210.9708  266.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2633  210.4055  266.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6916  210.0860  265.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4772  211.3433  268.3914 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  180.0802  210.8674  259.5315 S   0  0  0  0  0  0  0  0  0  0  0  0
  179.1595  210.9288  260.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3190  212.0396  258.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.5302  209.5682  258.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5649  210.1802  262.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
-61.99603061,-77.71678396,53.70922622,-95.93534978,-114.15996319,-178.01572545
181.30596691,211.39122534,262.41465188,-0.83720194,0.62185643,1.36594212

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443270/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.38241

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-4.01759

>  <SCORE.INTRA.DIHEDRAL>
0.454932

>  <SCORE.INTRA.DIHEDRAL.0>
3.3403

>  <SCORE.INTRA.POLAR>
-0.974429

>  <SCORE.INTRA.POLAR.0>
-0.0250449

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.931996

>  <SCORE.INTRA.VDW.0>
-1.95872

>  <SCORE.INTRA.norm>
-0.160704

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.295296

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000083

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  217.2079  183.2177  252.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2937  183.4973  251.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4223  182.7513  251.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1260  183.3866  250.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4340  184.5715  249.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3548  184.6437  250.7489 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5212  185.8352  250.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1037  186.6896  252.0968 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.4826  187.2631  251.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6077  186.8722  252.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3388  186.1872  253.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4243  185.9237  254.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2536  185.1751  255.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9946  184.6811  256.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9098  184.9600  255.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0846  185.7242  254.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9618  185.9599  253.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7448  185.6728  248.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3268  182.9365  249.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7924  183.6189  248.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0603  181.6514  249.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8101  181.2467  251.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2960  182.1194  252.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9827  183.0935  251.8264 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9624  181.7471  253.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5811  182.4740  254.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3563  182.1373  255.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4985  181.0846  256.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8660  180.3616  255.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1038  180.6928  253.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2993  182.9322  257.1619 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.9960  181.8843  257.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0069  184.0555  256.5943 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1389  183.5238  258.2249 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.5884  184.3648  259.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4620  182.7945  258.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
179.11503365,80.49114360,64.79904631,-21.43751054,-65.66662649,-6.25055917
170.91416943,-120.93152535,-173.60297374,220.87149244,183.78317892,253.46959893
2.30125147,0.87202199,-1.92065086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443271/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.48692

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411429

>  <SCORE.INTRA>
-6.91308

>  <SCORE.INTRA.DIHEDRAL>
-5.71057

>  <SCORE.INTRA.DIHEDRAL.0>
11.9589

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.05779

>  <SCORE.INTRA.VDW.0>
-1.73443

>  <SCORE.INTRA.norm>
-0.197516

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.213912

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000162

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  194.7880  220.2279  262.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7339  218.9032  262.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5699  218.1528  262.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4454  218.7195  262.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5151  220.0538  263.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6784  220.8046  263.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2285  217.9478  263.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0622  216.6315  262.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5048  216.0876  263.2725 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.1555  217.6229  264.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1223  218.5123  263.8250 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9012  217.8871  264.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9939  216.8942  264.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6884  217.0781  265.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7573  216.0343  265.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5142  216.2479  265.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1741  217.4966  266.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1089  218.5318  266.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3585  218.3256  265.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3009  219.3657  265.7808 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5686  219.2276  265.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3291  220.1873  265.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7465  219.8358  266.9180 N   0  3  0  0  0  0  0  0  0  0  0  0
  183.4107  219.8960  268.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7514  220.7784  266.1169 O   0  5  0  0  0  0  0  0  0  0  0  0
  182.2767  214.8240  266.1105 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  2  23   1  25  -1
M  END
>  <CHROM.1>
-0.96301339,0.80748549,187.16205719,217.73475000,264.89472059,0.12519881
0.38312797,0.29423802

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443272/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.88626

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-2.51374

>  <SCORE.INTRA.DIHEDRAL>
-6.45791

>  <SCORE.INTRA.DIHEDRAL.0>
6.48499

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.715216

>  <SCORE.INTRA.VDW.0>
-0.927621

>  <SCORE.INTRA.norm>
-0.0966822

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.187933

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000203

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  214.0567  193.1790  241.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7628  193.3985  241.0102 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0021  192.3559  241.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4246  191.1922  242.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7981  191.0497  242.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6021  192.1091  241.9598 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2809  189.8684  242.9363 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5697  189.6123  243.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9233  188.5312  243.9900 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5530  190.5066  243.1131 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3968  188.8216  243.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3676  190.3363  242.2324 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3192  190.9727  241.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6480  192.1965  241.2260 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6865  193.0696  240.5969 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6928  194.5657  240.9359 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.7434  195.0456  239.8439 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.2310  194.2181  238.6309 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.7834  192.9771  239.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1498  193.8656  237.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1776  193.0143  238.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4059  194.7599  240.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9437  195.2390  240.7766 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0560  187.9789  244.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.3894  190.1149  242.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1930  191.3304  242.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.5474  189.0550  242.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8624  193.5057  239.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.2127  195.2531  241.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6618  194.6913  241.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  6  0  0  0
 17 18  1  0  0  0  0
 17 22  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
M  END
>  <CHROM.1>
-176.28624080,10.51846415,-130.00253819,-47.64650099,-44.45926897,61.74701980
-64.04844872,55.85462061,211.61313458,192.22929506,241.19145097,-0.64351148
-0.34091611,-0.31755640

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443273/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.909602

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-8.4904

>  <SCORE.INTRA.DIHEDRAL>
-13.0749

>  <SCORE.INTRA.DIHEDRAL.0>
17.9074

>  <SCORE.INTRA.POLAR>
-0.429245

>  <SCORE.INTRA.POLAR.0>
-3.59229

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.493501

>  <SCORE.INTRA.VDW.0>
-0.691525

>  <SCORE.INTRA.norm>
-0.369148

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0395479

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011240

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  188.2754  223.5131  255.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5323  222.8560  257.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1207  221.6523  257.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3256  221.0704  258.7002 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.7942  221.9569  259.7266 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7673  221.6244  261.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1325  220.5704  261.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1707  222.7431  261.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1233  222.7463  263.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4744  223.7961  263.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2316  224.4381  264.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6825  225.4166  265.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3456  225.7721  265.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5698  225.1480  264.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1308  224.1640  263.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1083  223.4394  262.6542 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.5231  224.1160  265.1466 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.5784  223.9605  260.7839 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.1911  223.1257  259.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0566  223.6003  258.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7936  220.7610  258.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1733  219.4349  259.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5083  219.0929  259.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4876  220.1021  259.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1081  221.4300  259.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7752  221.7571  258.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7786  219.7021  259.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5443  220.4880  260.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9204  217.8047  259.7242 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6157  216.8496  258.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5841  220.7674  256.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7399  221.1659  255.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7585  219.4914  256.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2108  218.5671  255.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 20  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  1  0  0  0
  5 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
16.38045867,-118.76932353,-125.36827612,57.95029333,-136.25166760,-179.65193999
189.40152289,221.93700152,260.35735139,0.87125075,0.52505395,-1.84100339

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443290/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.6762

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-3.7238

>  <SCORE.INTRA.DIHEDRAL>
-0.384716

>  <SCORE.INTRA.DIHEDRAL.0>
16.5023

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.53144

>  <SCORE.INTRA.VDW.0>
3.65676

>  <SCORE.INTRA.norm>
-0.109523

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.225771

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  185.6514  214.3264  250.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6660  215.4213  250.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0906  216.7108  250.9604 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9229  217.7679  250.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0702  217.6518  250.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2465  219.0263  251.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9686  219.3361  251.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8042  220.7621  251.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9220  221.4719  251.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1856  220.4343  250.7025 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.0928  222.8306  251.0378 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0726  223.5597  251.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8730  223.0054  251.8219 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.6780  221.6488  251.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4687  221.4133  252.3693 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.8579  222.6502  252.5695 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.7129  223.6030  252.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5380  225.0858  252.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7164  225.6929  253.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1484  225.4412  254.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4586  227.2148  253.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7268  225.1348  254.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9257  218.3553  251.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
179.99810003,1.87181570,3.17008977,-97.80768053,61.91911169,184.74588611
221.15847450,251.84680250,1.12117014,-0.40838841,-3.03090867

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443291/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.85953

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-2.54047

>  <SCORE.INTRA.DIHEDRAL>
-5.06073

>  <SCORE.INTRA.DIHEDRAL.0>
6.3059

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0101049

>  <SCORE.INTRA.VDW.0>
0.00628316

>  <SCORE.INTRA.norm>
-0.110455

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.341719

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000630

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  205.9405  193.8550  250.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1987  194.4135  249.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9353  194.9192  249.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2193  195.5395  248.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8823  194.5393  247.7624 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0900  194.8189  246.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4970  195.9380  246.1046 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6978  193.8099  245.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7256  192.6661  245.1169 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.3297  192.2046  244.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7940  191.5584  246.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6231  191.9078  247.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8698  192.7144  247.1285 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.6896  192.0874  247.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0013  193.3337  247.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.9624  193.5917  245.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1151  193.1095  244.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4838  193.6682  248.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2   9   1  13   1
M  END
>  <CHROM.1>
178.24964275,65.08639550,-136.55867343,-82.08058286,-171.89998767,204.28278724
193.81016642,247.24941272,-1.38531361,0.78824939,-2.03454990

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443292/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.80943

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-5.59057

>  <SCORE.INTRA.DIHEDRAL>
0.213665

>  <SCORE.INTRA.DIHEDRAL.0>
2.75595

>  <SCORE.INTRA.POLAR>
-1.24967

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.44854

>  <SCORE.INTRA.VDW.0>
-1.74514

>  <SCORE.INTRA.norm>
-0.399326

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.343531

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022503

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  184.4406  223.3016  254.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8178  222.6487  253.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3816  223.7560  252.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7946  221.6534  252.5990 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.1133  220.8211  251.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9482  222.3484  252.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2392  222.0020  252.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4978  221.1827  253.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3106  222.7757  251.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7067  224.0615  252.3860 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.8815  224.7682  251.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1524  225.0224  252.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9347  225.8104  251.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2570  226.0967  250.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6884  225.4205  250.1399 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.5181  224.9943  252.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0959  225.6182  253.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9993  226.3924  253.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.6840  226.2918  252.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6637  226.8953  251.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5887  226.6046  249.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5009  225.7373  249.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5153  225.1428  250.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6174  225.4181  251.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3776  227.3040  254.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1152  226.7719  254.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1487  226.2891  256.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0376  225.6490  256.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8774  225.4872  256.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8179  225.9877  254.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9284  226.6255  254.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7976  222.9266  251.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
170.36562238,124.49761708,90.28164769,174.13817596,-116.99360513,131.26803332
-101.68330981,103.52413424,186.24695912,224.76562713,252.57231150,3.01230522
0.49971398,0.19141034

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443293/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.96219

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-6.43781

>  <SCORE.INTRA.DIHEDRAL>
-2.0793

>  <SCORE.INTRA.DIHEDRAL.0>
8.83595

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.39816

>  <SCORE.INTRA.VDW.0>
-2.31447

>  <SCORE.INTRA.norm>
-0.207671

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.224587

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000790

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  202.3186  214.8421  249.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5458  214.7852  248.1601 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0840  215.2783  248.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9915  216.7651  248.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7113  217.6055  247.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1709  218.5460  247.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1477  217.2281  247.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1319  215.7603  247.1001 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4843  215.2904  246.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2153  214.0939  245.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5589  212.9206  246.4582 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.5147  213.3057  247.5726 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4141  212.2038  248.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5822  210.8081  248.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0313  210.5959  247.5731 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6198  211.8707  246.8848 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4082  211.3453  245.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4894  209.8348  245.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1899  209.4817  246.5102 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.1281  209.4397  245.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9161  210.2170  248.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3014  209.2220  246.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  1  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-63.83040199,202.26129871,213.42039336,247.34138598,2.09340876,0.86198561
-0.24007593

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443294/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.39994

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.257143

>  <SCORE.INTRA>
-1.00006

>  <SCORE.INTRA.DIHEDRAL>
-2.10084

>  <SCORE.INTRA.DIHEDRAL.0>
2.23193

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0503572

>  <SCORE.INTRA.VDW.0>
-0.15596

>  <SCORE.INTRA.norm>
-0.0476219

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.209521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001161

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  188.9045  206.2241  259.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9578  207.2862  259.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8725  208.6250  259.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3924  209.4343  259.4919 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.0759  208.0812  258.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2349  206.9994  258.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6489  209.4700  260.2869 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8517  210.0935  259.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6394  211.1414  258.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8007  212.2656  258.8272 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3717  210.7629  257.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7281  209.6941  256.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9644  208.6099  256.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1995  209.0941  258.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1069  208.5927  258.4408 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8793  208.9996  255.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7801  210.3538  255.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7988  208.7020  261.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2491  207.8600  262.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3923  206.8212  262.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8843  207.1003  263.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4561  207.6867  261.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3103  208.8802  261.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8190  209.9874  261.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1292  205.7818  263.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5702  208.0729  264.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5658  207.7415  262.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1173  208.3978  262.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  3  1  6  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-86.92078443,-67.21699924,36.36002629,5.00845761,188.32518412,208.72251336
259.75876115,-2.07371377,0.21520885,-1.07025042

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443295/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.74509

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-0.654907

>  <SCORE.INTRA.DIHEDRAL>
-0.271529

>  <SCORE.INTRA.DIHEDRAL.0>
2.86153

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.519143

>  <SCORE.INTRA.VDW.0>
-6.05346

>  <SCORE.INTRA.norm>
-0.0242558

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.286855

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001542

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  181.8218  210.0205  258.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5811  209.2110  259.8122 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.8679  209.2234  261.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5888  208.3960  261.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8692  206.9799  260.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6009  206.9614  259.3128 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.8222  207.8168  259.3743 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0859  207.3539  258.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2889  206.1938  258.6156 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2714  208.3367  259.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2579  208.9753  260.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3726  208.1854  261.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6330  206.9955  261.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0963  208.9953  262.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9956  208.3612  263.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6584  209.1039  265.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4276  210.4836  264.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5008  211.1140  263.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8401  210.3722  262.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8283  211.4053  266.3212 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.1653  210.6439  267.5054 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2948  212.7722  266.1603 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.1506  211.4184  266.1700 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.3815  210.1790  266.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8825  209.8684  264.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6194  211.2374  264.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5271  212.2087  265.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7514  205.5029  258.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
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 14 19  1  0  0  0  0
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 24 25  1  0  0  0  0
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M  END
>  <CHROM.1>
49.21078040,59.87409554,8.60832253,172.33795765,21.97029120,68.84431659,183.27170437
209.32174021,262.61374744,1.57455071,0.08683351,-2.09484442

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443296/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.70753

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-7.69247

>  <SCORE.INTRA.DIHEDRAL>
-11.6616

>  <SCORE.INTRA.DIHEDRAL.0>
14.8596

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.86166

>  <SCORE.INTRA.VDW.0>
-1.97064

>  <SCORE.INTRA.norm>
-0.274731

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.132412

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  201.2602  205.8345  257.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1262  206.5542  256.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9716  205.9975  255.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7896  207.9072  256.5651 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4779  208.7069  255.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4599  208.3742  254.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3248  209.0398  253.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1395  210.0808  253.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1234  210.4377  255.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3196  209.7336  256.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0272  210.7670  252.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7222  211.1106  251.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4263  210.8972  250.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3849  210.3996  251.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6677  211.4282  249.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9461  211.8891  249.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6161  211.7361  250.8345 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4067  212.5055  248.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5227  212.5483  247.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9400  213.0672  246.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2380  213.5493  246.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1167  213.5247  247.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7079  213.0069  248.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8606  213.0796  249.6269 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.6275  207.3190  253.8143 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2728  207.2785  254.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6616  208.1012  254.8430 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6216  206.0355  253.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 20 21  2  0  0  0  0
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 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-177.05877418,56.24028049,50.28580032,40.44331324,-0.87767431,1.76717201
203.77089724,210.09874858,252.15762269,-2.10959700,-0.51900472,-1.20834396

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443297/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.31723

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-7.08277

>  <SCORE.INTRA.DIHEDRAL>
-13.428

>  <SCORE.INTRA.DIHEDRAL.0>
25.0293

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.368795

>  <SCORE.INTRA.VDW.0>
-1.68412

>  <SCORE.INTRA.norm>
-0.252956

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.154187

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 44  0  0  0  0  0  0  0  0999 V2000
  196.5039  226.2395  254.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5070  226.0881  252.6293 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.1388  226.4010  252.1464 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5812  227.6019  252.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0450  228.2042  253.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0440  227.6011  254.5449 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5643  229.4307  254.1142 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6038  230.0461  253.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0664  229.5696  252.3195 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5109  228.3459  251.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1089  227.8406  250.8080 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2512  231.2666  253.8761 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0853  224.7533  252.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2829  223.5580  252.3884 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6528  222.6991  253.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6345  222.8462  254.1273 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1533  223.3017  251.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0463  223.9246  250.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9045  223.7565  249.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8435  222.9812  250.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9678  222.3056  251.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1292  222.4553  252.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6256  222.9211  249.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6252  222.3432  249.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7025  223.5086  247.9344 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5817  223.4522  246.9958 C   0  0  1  0  0  0  0  0  0  0  0  0
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  190.4002  226.0178  246.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5947  226.3326  247.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6377  226.7762  247.1699 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3819  226.1729  248.9580 O   0  0  0  0  0  0  0  0  0  0  0  0
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  189.8499  221.3376  246.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
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  194.9582  226.3137  251.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
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  192.1353  226.4224  249.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0525  221.2205  245.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
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  5  7  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 12 38  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
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 25 40  1  0  0  0  0
 26 27  1  6  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 41  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 42  1  0  0  0  0
M  END
>  <CHROM.1>
69.45672350,-74.58356585,-103.07241651,19.06388166,-174.49332090,151.13309065
-62.73794117,128.28428132,67.76227686,78.86678203,-176.74219161,-177.77772401
193.51071776,225.27405235,250.57782682,-0.80367173,0.81871651,-2.77405636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443298/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.28168

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-8.11832

>  <SCORE.INTRA.DIHEDRAL>
-8.7356

>  <SCORE.INTRA.DIHEDRAL.0>
17.0335

>  <SCORE.INTRA.POLAR>
-0.802698

>  <SCORE.INTRA.POLAR.0>
-0.197302

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.02135

>  <SCORE.INTRA.VDW.0>
-2.00629

>  <SCORE.INTRA.norm>
-0.238774

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.214167

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016998

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  210.4229  192.5061  238.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5851  192.1850  237.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4810  191.2750  236.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2535  190.6676  236.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1158  190.9553  236.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2016  191.8863  238.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8314  192.2909  238.9976 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.9220  190.3309  236.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1645  189.5441  234.9292 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.9134  192.8250  237.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7972  191.9612  238.8649 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0434  191.6794  240.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2720  192.2854  241.2029 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1118  190.7067  240.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1022  190.7048  238.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9455  190.0026  235.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6285  190.5253  240.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2711  190.1820  238.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 16  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
96.64003777,-21.74027120,-59.11833597,-101.53510783,-70.68414545,-179.96981684
210.81198929,191.32699930,237.91838543,0.64851295,-0.09449363,1.09799254

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443299/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.77706

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-3.62294

>  <SCORE.INTRA.DIHEDRAL>
-3.02552

>  <SCORE.INTRA.DIHEDRAL.0>
6.08692

>  <SCORE.INTRA.POLAR>
-0.120474

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.70057

>  <SCORE.INTRA.VDW.0>
0.531489

>  <SCORE.INTRA.norm>
-0.241529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.318471

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000871

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 57 62  0  0  0  0  0  0  0  0999 V2000
  217.5038  188.9109  241.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9886  188.3707  240.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1936  187.6033  240.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0373  186.5458  241.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6077  187.0984  242.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3398  187.8662  242.4564 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1475  187.0237  242.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2418  186.9210  243.4581 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.5355  188.2088  243.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2793  189.0676  244.8569 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.8941  188.2594  245.8448 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7324  187.2966  245.2386 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.9301  186.3468  244.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5258  186.5523  246.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7987  186.0821  245.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5294  185.3301  246.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9938  184.9718  248.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7301  185.4804  248.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0170  186.2808  247.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6999  184.0002  248.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4518  184.5311  250.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1518  183.7261  250.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1530  182.3559  250.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4456  181.7991  249.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7005  182.5923  248.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9277  181.8526  247.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4311  182.1176  246.4077 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6403  182.7835  245.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4511  183.0185  245.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3547  183.1889  244.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5606  182.7853  242.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2842  183.6108  242.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4473  183.2088  241.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1212  183.9888  241.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1507  183.4713  242.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1585  182.8600  242.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4307  183.7233  243.8022 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7027  183.2564  244.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6030  182.4155  244.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8428  181.8845  245.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1202  182.2361  247.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1786  183.0813  247.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0072  183.5403  246.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0802  184.3197  246.7425 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3738  190.0282  245.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3339  189.5117  246.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5064  190.3741  247.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7161  191.7605  247.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6990  192.2729  246.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5336  191.4170  245.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9333  192.7454  247.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6934  193.1383  249.0281 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4205  181.9972  246.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.1457  184.4283  243.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2225  185.1332  246.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9024  183.7324  246.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7638  192.2975  249.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 54  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 55  1  0  0  0  0
 44 56  1  0  0  0  0
 45 50  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 48 51  1  0  0  0  0
 49 50  2  0  0  0  0
 51 52  1  0  0  0  0
 52 57  1  0  0  0  0
M  END
>  <CHROM.1>
-128.54985178,68.47018983,60.87456394,-148.84211557,101.29882338,67.38536186
-114.49284287,130.87940165,70.08088646,-178.80834003,176.60936022,-74.08987101
-112.32872020,2.05393324,39.63887286,100.69464461,-64.30893840,216.39463464
185.83202117,245.39882375,3.00914932,-1.00056489,1.20260341

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443301/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.16854

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411538

>  <SCORE.INTRA>
-18.2315

>  <SCORE.INTRA.DIHEDRAL>
5.46984

>  <SCORE.INTRA.DIHEDRAL.0>
11.6328

>  <SCORE.INTRA.POLAR>
-1.93682

>  <SCORE.INTRA.POLAR.0>
-1.06248

>  <SCORE.INTRA.REPUL>
0.00177207

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-14.3901

>  <SCORE.INTRA.VDW.0>
1.69781

>  <SCORE.INTRA.norm>
-0.350605

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.0609335

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014230

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  198.1097  223.2096  256.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5406  222.8755  257.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0663  221.7108  256.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5058  221.4039  256.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0273  220.2134  255.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4386  219.8785  256.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9331  218.6389  255.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3603  218.3408  256.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8975  217.0969  255.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3421  215.7714  255.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0817  214.8766  256.3683 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9534  215.6026  255.8679 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4351  215.1654  254.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1391  215.8852  254.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5040  215.4845  252.8467 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7355  214.2445  252.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6124  216.5722  252.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0943  215.3643  257.0652 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6884  214.1970  257.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8866  213.7730  259.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7791  216.6678  257.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7809  217.1379  258.5750 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6374  218.2492  259.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7219  218.6279  260.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5906  219.6604  261.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3739  220.3308  261.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3017  219.9869  260.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4429  218.9414  259.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3418  218.5040  258.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3210  219.1908  258.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5453  217.3102  257.8718 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4720  216.8710  257.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7145  217.7835  256.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6273  217.3463  255.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3043  215.9920  255.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0889  215.0671  256.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1742  215.5033  256.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  1  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 31  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
179.48819022,178.17900494,-177.06273413,176.56185980,178.16934063,179.04443878
-73.22718078,-124.49548362,82.26065595,-138.71244017,-50.38784475,-177.38484040
78.81594570,-176.82494020,-72.15248674,-135.41468380,202.17652001,217.65686136
256.88464420,1.83741293,-0.59213341,0.65198505

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443302/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.859

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.578378

>  <SCORE.INTRA>
-9.54096

>  <SCORE.INTRA.DIHEDRAL>
-2.45409

>  <SCORE.INTRA.DIHEDRAL.0>
14.0701

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.31392

>  <SCORE.INTRA.VDW.0>
-2.18463

>  <SCORE.INTRA.norm>
-0.257864

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.320515

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002474

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  220.3409  177.8527  243.4564 B   0  0  0  0  0  0  0  0  0  0  0  0
  221.5499  177.5840  244.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3262  176.2817  245.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3350  179.0035  243.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9030  179.8775  242.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1725  176.9451  242.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0567  176.1736  241.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9201  175.3478  240.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1699  175.9506  242.8829 Sn  0  0  0  0  0  0  0  0  0  0  0  0
  217.3759  176.1244  245.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8944  177.5764  242.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8109  174.3223  242.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3522  177.0797  241.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5589  178.5228  240.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
105.84292606,140.54279350,120.33152512,-59.20960182,-31.99316048,218.45897857
176.65846149,242.81893840,0.03998762,0.47422403,1.44769704

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443303/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27867

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-2.12133

>  <SCORE.INTRA.DIHEDRAL>
-0.353553

>  <SCORE.INTRA.DIHEDRAL.0>
4.51288

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94455

>  <SCORE.INTRA.VDW.0>
-1.40585

>  <SCORE.INTRA.norm>
-0.151523

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.591334

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.071131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 23  0  0  0  0  0  0  0  0999 V2000
  200.5703  219.2947  251.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3863  218.9209  252.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2018  219.8494  252.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0141  219.4780  252.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8343  220.4088  252.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6482  220.0434  253.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4715  220.9733  253.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2877  220.6106  254.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1119  221.5374  253.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9316  221.1768  254.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7564  222.1043  254.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5782  221.7463  255.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3990  222.6704  255.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2238  222.3193  256.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0447  223.2403  255.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8691  222.8937  256.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6869  223.8114  256.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5129  223.4688  257.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3241  224.3821  256.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1523  224.0417  257.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.9594  224.9488  257.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.7875  224.6167  258.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.6945  225.4759  258.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
  173.9605  225.2213  258.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.78398273,-179.83049973,-179.80278004,-179.80731813,-179.83033448,-179.76791765
-179.73458664,179.94860194,-179.79976430,-179.75111895,-179.68069493,-179.85530647
-179.76841499,-179.80550287,-179.73076647,-179.83287738,-179.73027977,-179.87038322
-179.87794772,-179.79123864,178.66674991,187.50479225,222.10903367,255.12050311
0.00020963,0.34279561,-0.74072342

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443304/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
25.0902

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.10435

>  <SCORE.INTRA>
-0.30985

>  <SCORE.INTRA.DIHEDRAL>
0.00828663

>  <SCORE.INTRA.DIHEDRAL.0>
0.00412133

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.313993

>  <SCORE.INTRA.VDW.0>
-2.56473

>  <SCORE.INTRA.norm>
-0.0134717

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
1.09088

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.045268

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  225.0641  191.6154  247.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2491  191.8908  248.7939 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6926  190.8127  249.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5496  191.0987  250.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8846  190.0894  250.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3640  188.7815  250.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5131  188.4729  250.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1722  189.5013  249.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0344  187.0584  250.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5579  186.4718  248.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8289  185.3549  248.7437 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3607  185.0744  247.1796 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.1354  186.5023  246.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7672  187.1365  247.5148 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0694  186.9239  245.2364 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9667  187.8290  244.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6745  187.7716  243.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9210  187.9763  242.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0326  187.0280  242.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3057  187.1352  244.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4266  189.4247  242.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3616  190.3867  242.3012 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4939  191.6557  242.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9029  192.6117  242.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1323  191.8551  244.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5339  193.0535  244.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3551  193.2636  246.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7409  192.2568  246.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3307  191.0472  246.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5277  190.8560  245.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7362  189.9375  247.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8342  189.1715  246.5724 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.6827  189.0815  247.7160 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.0827  190.4140  248.3395 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.8647  194.5224  246.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1556  195.6374  246.5704 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.8373  194.4405  248.2527 F   0  0  0  0  0  0  0  0  0  0  0  0
  224.1569  194.7886  246.5599 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.7248  190.2434  241.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 35  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <CHROM.1>
-157.06006069,99.22774890,-122.82748365,89.87947852,-46.59155346,151.75422332
96.17316093,166.52294190,71.42894429,149.65901591,222.64937271,189.93124637
246.62792483,-2.19676303,1.53905979,-2.64980192

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443305/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.78707

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-7.61293

>  <SCORE.INTRA.DIHEDRAL>
-0.0270377

>  <SCORE.INTRA.DIHEDRAL.0>
7.00702

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.59941

>  <SCORE.INTRA.VDW.0>
0.177364

>  <SCORE.INTRA.norm>
-0.20034

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.204923

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000197

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  200.6556  207.2225  256.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8519  207.5817  257.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3599  207.4972  257.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5427  207.8539  258.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0543  207.7648  258.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2452  208.1182  259.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7609  208.0434  259.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9530  208.4078  260.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4699  208.3366  260.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6601  208.7013  261.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1747  208.6274  261.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3626  208.9913  262.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8750  208.9213  262.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0824  209.2888  263.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6898  209.2196  263.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9268  209.5676  264.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4438  209.4886  264.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1137  210.3965  263.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.1549  210.2847  262.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
179.83354739,-179.95093136,179.90971629,179.36844879,-179.57815219,179.84963247
-179.95147874,-179.95055076,179.92711040,-179.95461296,-179.94497985,179.98941008
-179.80173737,179.97059271,-60.57204976,-179.82276332,191.00386110,208.57777112
260.95269436,0.35172609,0.15042058,-1.53188257

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443306/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.1739

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.13333

>  <SCORE.INTRA>
-0.226087

>  <SCORE.INTRA.DIHEDRAL>
-0.031042

>  <SCORE.INTRA.DIHEDRAL.0>
0.035372

>  <SCORE.INTRA.POLAR>
0.0312279

>  <SCORE.INTRA.POLAR.0>
-0.0312279

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.316741

>  <SCORE.INTRA.VDW.0>
-1.88284

>  <SCORE.INTRA.norm>
-0.0125604

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
1.12077

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040530

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  188.4472  217.7500  252.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2254  216.2494  252.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0168  215.4400  253.8782 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.5182  215.4893  253.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6745  215.8525  255.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2152  215.8478  255.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5229  213.9479  253.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1854  212.8386  254.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0456  212.8640  255.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6517  211.9030  256.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3258  211.0113  256.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4129  212.0462  258.1726 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2906  213.2212  258.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8053  212.9831  258.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6763  214.1293  258.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2282  215.4682  258.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7558  215.7187  258.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8828  214.5976  258.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9023  212.1203  258.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6435  212.1744  260.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1523  211.8545  260.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7835  211.0299  258.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0798  210.8760  258.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2656  213.2649  257.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4709  213.2900  257.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  6  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-65.88546351,53.38339350,176.40794120,62.35257533,-178.68674294,0.46297191
-75.17438282,-59.71516472,176.30992311,50.46320277,189.05887667,213.72066793
256.81554206,1.43297886,-0.41880215,-0.98324523

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443307/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.02845

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-5.37155

>  <SCORE.INTRA.DIHEDRAL>
-4.20341

>  <SCORE.INTRA.DIHEDRAL.0>
6.18211

>  <SCORE.INTRA.POLAR>
-0.126252

>  <SCORE.INTRA.POLAR.0>
-0.579284

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.84059

>  <SCORE.INTRA.VDW.0>
3.30254

>  <SCORE.INTRA.norm>
-0.223815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.376185

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003753

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  213.1295  197.7982  249.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8305  198.1619  248.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1984  199.5567  248.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0888  198.1013  247.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8206  198.3200  245.9033 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.1097  198.2598  245.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8938  198.5914  243.6801 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8009  197.3928  245.3974 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9463  197.8159  244.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0202  198.5813  244.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2754  197.3105  243.1971 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4756  197.7264  242.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5847  199.2400  241.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0627  197.0053  240.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0116  197.2777  242.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2281  197.9710  243.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8913  196.3931  245.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
174.14206477,179.58170152,-174.14293358,145.97377261,-58.19807774,-75.00378690
-177.60697359,62.75894682,212.61961682,198.07646047,244.83117249,1.31056509
0.03604936,1.48826421

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443308/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59107

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.826667

>  <SCORE.INTRA>
-7.80893

>  <SCORE.INTRA.DIHEDRAL>
-4.71141

>  <SCORE.INTRA.DIHEDRAL.0>
6.51506

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.05323

>  <SCORE.INTRA.VDW.0>
1.29051

>  <SCORE.INTRA.norm>
-0.520595

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.306071

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004618

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  212.9872  196.5707  253.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0477  195.7333  252.8445 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7228  195.7128  253.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8068  194.9278  252.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1671  194.0480  251.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3754  193.2792  250.9716 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5194  194.1306  251.1541 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4799  194.9347  251.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6596  194.9190  251.4278 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0059  193.2872  250.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6088  195.1947  253.2094 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9133  196.0708  254.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1825  196.4178  254.2346 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7879  196.6093  255.4497 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.8710  197.5286  256.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2570  198.9087  256.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7637  199.9672  256.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2430  198.9066  255.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6033  200.1667  254.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0130  200.4070  253.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2071  199.2782  252.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1472  198.4149  251.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3032  197.3752  250.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5464  197.1796  250.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5952  198.0640  250.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4249  199.1081  251.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6478  196.1294  249.3101 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3467  196.3568  248.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2959  196.4901  250.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0522  197.0614  250.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3253  194.5747  252.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0544  193.3291  253.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4684  192.0717  253.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2564  190.9208  254.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6229  191.0069  255.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1760  192.2433  255.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3800  193.3921  254.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5232  198.0327  254.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
91.35166184,172.18999902,76.28115853,104.32702609,-101.78671323,-50.58523792
103.32778349,53.05376075,137.57407182,-89.62874189,209.58814677,196.00988579
252.82280853,-0.47349483,-0.89895916,-2.63199688

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443309/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.74014

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416216

>  <SCORE.INTRA>
-12.6599

>  <SCORE.INTRA.DIHEDRAL>
5.40996

>  <SCORE.INTRA.DIHEDRAL.0>
6.93664

>  <SCORE.INTRA.POLAR>
-0.998622

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.9695

>  <SCORE.INTRA.VDW.0>
1.54425

>  <SCORE.INTRA.norm>
-0.342158

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.0740578

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  213.1672  192.6072  246.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5805  193.9922  246.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0486  193.8791  246.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0621  194.5958  248.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5472  194.9749  248.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0473  196.1135  247.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9335  195.9782  245.8942 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4608  197.2755  245.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6459  194.6341  245.4361 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2997  194.4211  243.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0085  193.1685  243.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0213  192.9663  244.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1891  194.1097  245.4786 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.3949  194.8674  244.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6204  193.9144  244.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2294  192.6544  243.4714 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.0708  192.0371  244.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0353  190.8117  244.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1448  189.8455  244.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7908  190.1091  243.2312 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.3732  191.5669  243.0475 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7514  191.6029  241.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6660  190.4256  241.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0740  189.0562  241.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7374  188.9638  242.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6889  191.8673  243.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6123  193.5884  246.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  1  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
67.24113747,65.32884302,-59.92542603,177.98283139,170.30196507,217.27773214
192.98076578,244.80048678,2.57413076,0.46579068,0.17669508

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443310/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.6089

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-1.7911

>  <SCORE.INTRA.DIHEDRAL>
0.123981

>  <SCORE.INTRA.DIHEDRAL.0>
0.866965

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.85309

>  <SCORE.INTRA.VDW.0>
-0.103677

>  <SCORE.INTRA.norm>
-0.0663372

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.318848

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008183

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  218.1790  200.7048  252.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0146  199.6609  252.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5996  198.3345  252.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3468  198.0369  253.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5170  199.0930  253.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9331  200.4194  253.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8241  196.3281  253.2140 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.0533  196.1099  251.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9582  197.0045  250.8309 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5903  194.8188  251.5298 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0204  194.3432  250.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5421  193.0991  250.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0011  192.5904  249.0784 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0644  193.1368  247.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6941  194.1182  247.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1064  192.1817  246.7014 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.3495  193.0513  245.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4214  192.7699  244.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6357  193.5397  243.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7837  194.6001  242.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7059  194.8810  243.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4891  194.1092  244.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7300  194.2098  252.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.5390  191.6902  249.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-87.72301790,-0.53063442,-179.38393376,87.76975187,215.30445732,195.41249567
249.23966966,-0.50123255,-1.12351749,-1.12741670

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443311/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.94302

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-2.45698

>  <SCORE.INTRA.DIHEDRAL>
-4.51614

>  <SCORE.INTRA.DIHEDRAL.0>
8.05594

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.198907

>  <SCORE.INTRA.VDW.0>
-1.31086

>  <SCORE.INTRA.norm>
-0.111681

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.315592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006954

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  190.6803  223.1994  252.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0472  223.3657  253.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7947  222.5688  254.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9355  221.0866  254.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5790  220.9439  253.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8100  221.7282  252.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7963  220.4456  255.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3139  219.5589  256.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6894  218.3471  256.9863 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
120.26241004,190.92108287,220.90418287,254.72555226,-1.70682803,-1.26196166
2.25031854

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443312/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.66772

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.732282

>  <SCORE.INTRA.DIHEDRAL>
-1.18099

>  <SCORE.INTRA.DIHEDRAL.0>
1.18116

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.141788

>  <SCORE.INTRA.VDW.0>
-0.235874

>  <SCORE.INTRA.norm>
-0.0813646

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.629746

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001453

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  183.6578  204.8010  263.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5282  205.7872  262.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9526  206.8599  262.7861 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0756  205.2930  261.5379 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9965  206.1642  260.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7887  207.4497  260.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2364  208.6716  260.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9248  208.8531  259.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0882  209.0731  260.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9230  210.1124  261.6975 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.4128  209.9962  261.1576 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.4144  210.0856  262.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9749  211.1803  263.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7755  210.6724  264.1163 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.8334  209.8130  263.2166 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.4061  209.5729  263.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7957  210.4844  264.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6234  211.5358  265.4342 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.2355  211.7335  265.1658 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.2019  211.5983  266.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5225  211.0772  267.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4543  210.1699  267.2233 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.2993  211.0976  266.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3184  208.8619  267.7594 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.2532  207.9418  267.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2364  208.1239  266.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.9005  206.6435  268.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5981  213.2022  264.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7586  211.1669  260.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9755  207.2679  261.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9479  207.0714  262.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  6  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 30 31  3  0  0  0  0
M  END
>  <CHROM.1>
179.79560902,63.67104975,-131.23677923,-71.02484108,-1.04216681,183.50601162
209.08064363,263.73868674,-0.00397332,-1.32664938,2.69466424

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443313/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30932

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-3.09068

>  <SCORE.INTRA.DIHEDRAL>
-3.07376

>  <SCORE.INTRA.DIHEDRAL.0>
5.25169

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.5538

>  <SCORE.INTRA.VDW.0>
-0.433805

>  <SCORE.INTRA.norm>
-0.0996994

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.235784

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001889

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  207.9106  190.5498  246.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0380  189.3470  246.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6910  188.1492  245.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9783  186.9712  245.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5981  186.9653  245.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9367  188.1383  246.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6360  189.3385  246.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8259  190.5309  246.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7538  190.5858  248.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6693  190.6747  248.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-87.37762711,60.96650218,206.12899153,189.03987781,246.45866791,-1.98488799
-0.26137350,-2.73906811

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443331/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.28239

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-1.11761

>  <SCORE.INTRA.DIHEDRAL>
-1.50858

>  <SCORE.INTRA.DIHEDRAL.0>
2.2664

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.363319

>  <SCORE.INTRA.VDW.0>
-0.219406

>  <SCORE.INTRA.norm>
-0.124179

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.586932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002628

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  192.5071  202.9404  238.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4531  202.0777  237.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5291  201.6602  238.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6638  202.0965  240.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7103  202.9624  240.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6369  203.3803  239.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7282  203.5331  241.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7747  203.4138  242.6076 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5889  204.1584  242.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4223  204.7503  243.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2606  205.2151  244.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3299  205.7379  245.3508 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5548  205.6883  245.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7015  205.0088  244.7588 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.9715  206.3046  247.4155 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.6564  204.8359  248.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6000  203.6948  248.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5630  203.3985  248.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3402  202.8579  246.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4348  202.1840  246.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2859  201.4231  245.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0266  201.3268  244.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9188  201.9673  245.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0768  202.7264  246.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8678  200.5569  243.3103 N   0  3  0  0  0  0  0  0  0  0  0  0
  193.8746  200.0139  242.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7348  200.4967  242.8128 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.0623  201.5385  240.8765 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.7337  204.0949  241.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
12.73553622,-173.20240899,88.27256328,64.72796869,103.64075905,156.30196358
193.40565037,203.19190325,243.76535103,1.22133464,1.17396848,-1.60499973

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443332/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.67429

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.72571

>  <SCORE.INTRA.DIHEDRAL>
2.12719

>  <SCORE.INTRA.DIHEDRAL.0>
6.688

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.7893

>  <SCORE.INTRA.VDW.0>
1.17952

>  <SCORE.INTRA.norm>
-0.20449

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.202653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 43  0  0  0  0  0  0  0  0999 V2000
  200.1649  196.5993  253.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5807  197.0181  253.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7361  198.4067  253.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9711  198.9320  253.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3665  199.9647  252.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6374  200.5347  252.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5100  200.1086  253.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0818  199.1164  254.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8166  198.5332  254.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9211  200.6294  253.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0054  199.7541  253.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1925  200.1271  252.7132 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.1327  199.6712  253.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3758  200.1311  254.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0085  199.3611  255.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4293  198.1749  255.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1781  197.7100  255.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5393  198.5217  254.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2611  198.4826  253.6234 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4774  200.6684  251.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4672  200.1910  250.3034 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.6778  198.7193  249.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4483  197.8080  250.9947 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2300  197.2713  251.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9075  197.6983  251.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8819  196.9320  251.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1606  195.7744  252.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4707  195.2994  252.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5188  196.0457  251.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9136  195.8164  251.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7619  194.6976  251.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1428  194.8930  251.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6803  196.1795  251.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8531  197.3009  251.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4779  197.0612  251.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1476  200.3565  250.8405 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5434  197.8137  253.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.9958  201.3125  250.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 23 35  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 38  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
-179.63244885,149.19595047,-98.95178002,154.66285846,-28.30952265,-74.61900920
63.74743673,63.44313545,87.53449294,207.34742310,198.20840059,252.70386193
3.11096186,0.03827798,0.34615334

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443334/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.57145

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-6.82855

>  <SCORE.INTRA.DIHEDRAL>
-2.88434

>  <SCORE.INTRA.DIHEDRAL.0>
9.85279

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.38637

>  <SCORE.INTRA.VDW.0>
-3.81637

>  <SCORE.INTRA.norm>
-0.189682

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.18254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000706

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  215.8325  189.3530  233.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9900  190.0463  234.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2195  189.1110  235.6164 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2249  188.5345  236.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8520  187.7900  237.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0473  187.1072  238.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6494  187.1938  238.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0555  187.9355  237.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8279  188.6177  236.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7793  186.5022  239.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3103  185.8109  240.1855 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4952  185.1777  241.0755 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0894  184.4411  242.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3022  184.2810  242.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0981  183.8207  243.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2000  184.8704  243.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8368  184.9648  243.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9777  185.4108  241.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7975  185.5403  241.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7350  185.0344  239.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5622  185.1467  238.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4377  185.7500  239.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4682  186.2215  240.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6382  186.1073  241.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9965  185.9103  238.5718 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.0996  184.2717  238.9605 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.2688  187.9156  237.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4047  187.4095  237.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6858  187.7182  237.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8561  188.5128  236.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7516  189.0295  235.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4678  188.7252  236.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4892  185.2669  240.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 32  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-90.34382468,-0.14930854,-179.91696601,-58.16445728,98.43284369,-63.33425214
-179.31926855,-134.96051540,212.47578952,186.51875386,238.87834030,0.51541464
-0.08106159,-1.06885357

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443335/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.78748

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-3.61252

>  <SCORE.INTRA.DIHEDRAL>
4.13169

>  <SCORE.INTRA.DIHEDRAL.0>
5.36995

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27837

>  <SCORE.INTRA.VDW.0>
0.350466

>  <SCORE.INTRA.norm>
-0.112891

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.305859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  214.6047  180.3178  244.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7472  181.8227  244.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3323  182.6678  245.1679 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1022  182.2703  246.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0014  180.7537  246.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3586  179.8745  245.5299 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8162  179.8147  245.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2391  178.7598  244.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8253  179.1438  243.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0833  178.1642  242.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8203  176.8372  242.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2957  176.4133  243.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9943  177.3878  244.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1168  176.0457  241.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4923  177.0397  240.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5804  178.3723  240.9071 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6484  182.8796  245.3852 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.0193  181.5932  245.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4481  183.9614  246.3303 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0998  183.4877  243.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4131  184.7916  243.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0717  185.2246  242.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4442  184.3467  241.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1624  183.0357  241.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4913  182.6017  242.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0294  184.8797  239.6425 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
59.79612321,-65.74440145,114.19582413,-72.22715394,214.51988641,181.16472120
243.44380924,-0.01765473,-0.82270203,1.54630748

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443336/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.84938

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-1.55062

>  <SCORE.INTRA.DIHEDRAL>
-1.51969

>  <SCORE.INTRA.DIHEDRAL.0>
3.48296

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.790779

>  <SCORE.INTRA.VDW.0>
-1.86975

>  <SCORE.INTRA.norm>
-0.0596393

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.301899

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  208.9293  213.0527  251.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2494  213.7610  252.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0811  214.2570  253.5224 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9259  215.1421  255.0007 P   0  0  0  0  0  0  0  0  0  0  0  0
  206.4691  215.4909  254.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8991  213.3437  256.0852 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.3212  212.7733  256.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0925  213.4310  257.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9165  214.0684  257.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3764  212.5703  258.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1943  212.5807  255.0427 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8460  210.9655  255.5552 P   0  0  0  0  0  0  0  0  0  0  0  0
  205.4403  211.2994  256.0419 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5533  210.5237  254.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5351  210.0568  253.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8085  209.7881  251.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4979  209.3503  256.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8991  209.1286  257.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5706  207.7119  257.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7706  216.0273  256.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7969  216.3680  257.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2777  217.1429  258.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-179.42102753,167.76261555,82.73476328,-95.01012805,42.08341409,-176.51746303
94.57649769,88.49531625,52.61938783,-179.42158752,179.64317938,-179.21381471
207.41029381,212.69814440,255.53605494,-2.37591973,1.29095378,0.96752417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443337/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.63717

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.790909

>  <SCORE.INTRA>
-15.7628

>  <SCORE.INTRA.DIHEDRAL>
-7.17663

>  <SCORE.INTRA.DIHEDRAL.0>
14.3591

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.1745

>  <SCORE.INTRA.VDW.0>
8.70272

>  <SCORE.INTRA.norm>
-0.716492

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.074417

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  223.5446  175.2924  239.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5846  176.1877  239.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3836  177.5637  239.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1365  178.0644  239.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0917  177.1446  239.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2969  175.7718  239.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9651  179.5597  239.1339 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.2786  180.3961  240.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5375  181.0555  241.2333 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.6846  180.0900  237.8629 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.4071  181.5438  237.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1979  182.6791  237.6033 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1784  179.7844  237.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1407  180.4445  238.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5062  180.2052  238.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9248  179.2912  237.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9892  178.6062  236.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6248  178.8484  236.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6040  179.0166  237.1455 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
  7 10  1  0  0  0  0
  8  9  3  0  0  0  0
 10 11  1  1  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-58.92110560,178.83349775,-73.36401278,225.09387896,179.03383159,238.51712045
-2.86630424,0.35789220,-0.17577468

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443338/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.91929

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-0.480715

>  <SCORE.INTRA.DIHEDRAL>
-0.156573

>  <SCORE.INTRA.DIHEDRAL.0>
1.90964

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.402428

>  <SCORE.INTRA.VDW.0>
-2.25851

>  <SCORE.INTRA.norm>
-0.0253008

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.416804

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001759

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  217.6111  186.6515  246.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7365  186.3639  245.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2330  187.2123  244.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1594  186.8597  242.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4658  187.6864  242.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8286  185.4642  242.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8734  184.6225  243.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3769  184.9932  244.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7470  184.2024  245.6595 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9030  183.6977  243.4497 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6704  182.2617  243.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3416  181.6942  242.3610 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2788  182.7580  241.7046 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.5981  184.0270  242.1745 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.4392  184.7464  241.3963 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.3615  183.8563  240.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9012  183.0888  239.6656 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0361  182.2436  239.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8647  182.0772  239.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6619  181.5841  238.0669 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6175  185.0431  242.3948 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5158  184.7162  243.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6677  181.4402  242.2198 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5925  181.1727  243.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3153  180.6507  244.2949 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0135  181.5665  242.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2834  182.0927  241.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5788  182.4722  241.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6242  182.3472  242.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3707  181.8523  243.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0702  181.4606  243.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8751  180.9230  245.4945 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.8490  188.4080  244.7709 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6550  181.6391  237.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1503  180.8379  237.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.7961  188.4033  245.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2262  189.1675  245.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  1  0  0  0
 14 15  1  0  0  0  0
 14 21  1  1  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <CHROM.1>
76.16507589,51.43569575,-176.38165361,177.86249535,0.11514589,28.10335973
-3.89485353,219.98403904,183.53519774,242.87588003,-2.86871990,0.49987881
-2.24649163

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443339/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.6556

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-4.7444

>  <SCORE.INTRA.DIHEDRAL>
-7.77797

>  <SCORE.INTRA.DIHEDRAL.0>
9.99896

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.855414

>  <SCORE.INTRA.VDW.0>
0.0899664

>  <SCORE.INTRA.norm>
-0.14377

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.231988

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012419

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  212.0565  179.2488  242.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4631  179.7297  241.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3898  180.5559  240.5741 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5668  181.0930  240.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5269  181.6236  238.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6732  182.1729  238.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8765  182.2186  238.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9035  181.7134  240.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7515  181.1614  240.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0847  182.7238  238.4388 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2336  183.3244  237.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2991  183.5998  236.4565 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6373  183.7041  236.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9633  183.8374  235.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2640  184.1650  235.1616 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2443  184.5034  236.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3652  184.8303  235.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9024  184.4964  237.3397 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6911  183.9040  237.8678 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2988  184.7199  239.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6360  184.3206  240.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1995  185.0563  241.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4015  186.1839  241.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0493  186.5884  240.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4958  185.8642  238.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0976  183.6607  234.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8740  182.6830  239.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.5326  184.2430  234.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.6437  184.7630  237.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
179.72101913,165.58533179,5.03736972,156.23566071,135.93634519,218.21421666
183.23963982,238.57443497,2.83723981,0.60054229,1.30737671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443340/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.59265

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.80735

>  <SCORE.INTRA.DIHEDRAL>
-4.46581

>  <SCORE.INTRA.DIHEDRAL.0>
7.42155

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.425555

>  <SCORE.INTRA.VDW.0>
-0.723284

>  <SCORE.INTRA.norm>
-0.0695135

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.330486

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000208

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  212.3371  190.0216  249.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2752  189.8249  250.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1854  190.8701  251.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8261  190.1258  251.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7694  188.4174  250.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0210  187.9146  250.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3851  186.5942  250.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5133  185.7503  251.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2776  186.2286  251.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9225  187.5534  251.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2999  185.3479  252.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0643  184.5301  251.6642 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.7041  185.8077  250.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6715  186.5590  250.6851 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4372  187.5262  249.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4769  188.2894  249.7871 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3951  187.6678  248.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4729  186.8705  248.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6056  185.9249  249.5101 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4085  187.0037  247.5458 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4247  185.3374  249.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3884  186.2615  246.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3479  187.2071  247.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
54.90190351,-93.11919051,-39.26857986,-97.85728664,-107.62404081,211.15348924
187.28982958,250.48194869,0.69616451,-0.35211111,-0.39750828

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443341/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.65306

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-2.74694

>  <SCORE.INTRA.DIHEDRAL>
0.635727

>  <SCORE.INTRA.DIHEDRAL.0>
3.92797

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.0648

>  <SCORE.INTRA.VDW.0>
0.190363

>  <SCORE.INTRA.norm>
-0.137347

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.382653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 66 73  0  0  0  0  0  0  0  0999 V2000
  225.5904  180.7644  249.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8218  180.8549  248.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.1470  181.8478  247.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6068  181.4774  246.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9005  182.4022  245.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6931  183.7086  245.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2460  184.0754  247.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9578  183.1479  247.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9523  184.6655  245.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5183  184.7099  243.8055 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8205  185.4324  242.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0185  186.3191  243.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3840  185.1269  241.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8164  185.5380  240.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1047  184.7839  239.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8340  185.0560  238.9095 S   0  0  2  0  0  0  0  0  0  0  0  0
  225.1346  184.4425  237.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.3346  184.0272  240.4187 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.4082  184.2156  241.5686 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.1039  182.8853  241.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1536  182.3737  242.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.2089  182.4992  240.6779 C   0  0  2  0  0  0  0  0  0  0  0  0
  226.3892  181.8183  241.2990 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.7379  182.1259  241.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5827  181.3560  241.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.1734  183.4325  240.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8226  183.4464  239.3309 N   0  0  0  0  0  0  0  0  0  0  0  0
  229.0450  182.1388  238.8492 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.1372  182.1564  237.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8183  182.6069  236.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6485  183.6374  236.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8562  184.7153  241.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1629  185.9928  240.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4558  187.1625  241.7468 S   0  0  0  0  0  0  0  0  0  0  0  0
  226.9910  185.8788  242.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2291  184.6965  242.3248 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.3439  186.0740  244.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.0193  185.9777  245.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3962  186.8226  245.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6602  186.2048  245.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.8679  186.9056  245.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.8540  188.2842  245.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6369  188.9494  245.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4232  188.2281  245.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0009  186.6405  246.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7231  187.1135  245.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9023  187.7592  246.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3452  187.9634  248.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5956  187.4947  248.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4081  186.8332  247.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2511  184.4929  245.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7872  184.2735  247.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3444  183.0353  247.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3329  181.9772  246.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6127  182.1068  245.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9906  183.3202  245.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0747  186.8071  240.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8246  187.7682  239.4089 N   0  3  0  0  0  0  0  0  0  0  0  0
  224.1082  188.1212  239.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4918  188.8401  238.5070 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3776  189.0489  237.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3334  188.3779  238.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7586  189.2861  238.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8170  188.9915  238.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2645  180.8989  241.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.3875  185.7402  244.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 57  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  6  0  0  0
 16 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 65  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 36  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 66  1  0  0  0  0
 38 39  1  0  0  0  0
 38 45  1  0  0  0  0
 38 51  1  0  0  0  0
 39 44  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 45 50  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 51 56  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 57 58  1  0  0  0  0
 58 62  1  0  0  0  0
 58 59  2  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 63  1  0  0  0  0
 61 62  2  0  0  0  0
 63 64  2  0  0  0  0
M  CHG  1  58   1
M  END
>  <CHROM.1>
-137.91171266,-51.94149416,172.74287135,22.16361250,171.04053199,107.08213387
-31.42710563,-113.93131401,178.74501307,152.11971429,-63.51880491,125.26591644
-104.43350632,47.00481456,-104.22999684,3.64674864,-175.61082287,-46.96024555
225.95778275,184.98910188,242.84565399,-1.38577839,1.04261112,-1.57639157

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443342/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.29834

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365625

>  <SCORE.INTRA>
-14.1017

>  <SCORE.INTRA.DIHEDRAL>
-8.66887

>  <SCORE.INTRA.DIHEDRAL.0>
31.9648

>  <SCORE.INTRA.POLAR>
-0.988166

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.183642

>  <SCORE.INTRA.REPUL.0>
0.00742694

>  <SCORE.INTRA.VDW>
-7.32567

>  <SCORE.INTRA.VDW.0>
-10.0066

>  <SCORE.INTRA.norm>
-0.220338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
64

>  <SCORE.norm>
0.145287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000355

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  203.5759  213.0228  252.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1348  213.3939  252.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3654  213.1513  251.4475 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9884  213.4786  251.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2018  213.1916  250.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2746  211.7517  249.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6924  210.8066  250.7139 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0513  209.6314  250.1331 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7502  209.8405  248.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9000  211.2079  248.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5669  211.9302  247.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7816  211.1789  247.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4363  209.9724  246.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1671  209.2074  246.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1347  208.8622  248.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7023  208.3961  250.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4064  207.2298  250.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0895  206.0213  251.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0438  205.9626  251.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3152  207.1201  252.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6577  208.3423  251.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7317  204.7267  252.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4869  203.7094  253.1351 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7988  207.9136  248.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <CHROM.1>
179.90729586,-179.55333775,60.13068818,67.55420973,-159.25307874,199.74303542
209.75748738,250.27437051,0.09041387,1.13773497,1.19302717

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443343/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.5674

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-1.8326

>  <SCORE.INTRA.DIHEDRAL>
-4.57408

>  <SCORE.INTRA.DIHEDRAL.0>
6.26377

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.45444

>  <SCORE.INTRA.VDW.0>
-1.41105

>  <SCORE.INTRA.norm>
-0.0796784

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.372496

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000589

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  197.8861  216.8661  258.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4355  218.2775  258.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5263  219.1497  259.3120 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.5725  218.9878  258.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4935  218.7523  260.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3160  219.3561  261.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7720  220.6511  259.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1502  221.2279  257.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7396  221.6336  257.9719 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5036  222.9840  258.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4484  223.7740  258.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0810  223.4560  258.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0686  222.3614  258.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9270  222.6408  258.8362 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4659  221.0461  258.2883 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7818  220.6713  258.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1202  219.5022  258.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4935  219.9830  258.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6967  219.3185  259.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0627  217.9688  259.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2903  217.3623  261.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1640  218.0974  262.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7770  219.4329  262.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5304  220.0345  261.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0034  224.5036  259.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3593  223.9246  260.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4960  223.8426  261.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6707  224.0392  256.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7348  223.0971  255.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6763  222.7247  254.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-47.07331468,-163.74535956,78.02272206,86.23423531,102.24563027,-62.36905424
60.06190242,-100.53221493,-114.92581837,-116.00397310,117.14477001,194.69870683
220.91184959,259.10642480,-1.17019703,0.44505662,-0.62796263

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443344/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4842

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.565517

>  <SCORE.INTRA>
-5.91578

>  <SCORE.INTRA.DIHEDRAL>
4.38395

>  <SCORE.INTRA.DIHEDRAL.0>
6.24901

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.00775

>  <SCORE.INTRA.VDW.0>
-1.12768

>  <SCORE.INTRA.norm>
-0.203992

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.361525

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016502

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 33  0  0  0  0  0  0  0  0999 V2000
  201.8447  209.1330  251.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8521  209.9812  252.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3019  209.7696  253.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7368  208.7009  254.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7454  207.8596  253.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2948  208.0737  252.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1063  208.4594  255.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4957  207.4160  256.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5426  206.3727  256.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7825  206.5114  256.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7575  207.0010  258.1157 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9201  206.0037  256.4678 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0836  209.3257  255.9939 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7712  209.1930  255.4988 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4368  209.8879  254.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0330  209.3512  253.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5772  211.4051  254.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8808  211.8184  254.9812 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5172  212.9171  254.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0590  213.5273  253.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8061  213.3185  255.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8289  212.2128  255.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7082  211.9656  254.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6129  210.9014  254.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6417  210.0754  255.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7768  210.3074  256.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8714  211.3696  256.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7406  208.7529  255.4196 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.6949  206.0961  257.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1426  209.7268  256.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3438  208.2727  255.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3832  211.1975  255.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
178.39970730,79.51316115,109.46950946,28.17078624,-179.19293164,-92.11834218
121.16419143,52.81259917,138.89704737,55.44609632,84.58917923,201.15900428
209.62294970,254.95051194,-2.40406573,0.11142709,2.81284472

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443345/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.19386

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-12.2061

>  <SCORE.INTRA.DIHEDRAL>
-11.8403

>  <SCORE.INTRA.DIHEDRAL.0>
20.1408

>  <SCORE.INTRA.POLAR>
-0.356693

>  <SCORE.INTRA.POLAR.0>
-0.238032

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.07321

>  <SCORE.INTRA.VDW.0>
-2.49484

>  <SCORE.INTRA.norm>
-0.435934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.114066

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000429

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  201.5168  198.4687  250.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0021  198.3139  250.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3781  197.6536  249.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0522  197.0731  249.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0379  195.7674  250.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3284  198.5445  248.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8758  197.9321  247.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0799  196.7358  246.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1938  195.4367  247.3083 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.1374  194.4122  246.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5153  194.8585  247.0454 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6393  195.4259  247.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8530  195.1547  248.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1716  194.2087  249.9051 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.9630  194.4671  251.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0837  195.3592  250.9360 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9313  195.7203  249.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8305  196.4908  249.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5580  196.6933  247.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4947  196.2232  247.0077 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0492  195.1600  252.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5443  193.2086  251.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2044  192.7733  249.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0840  191.9631  249.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0839  190.6488  249.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2059  190.1357  248.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3286  190.9340  248.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3335  192.2414  248.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6921  194.8018  246.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  6  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
158.71629480,-75.77538474,129.64840956,64.48384514,-70.29290010,167.16923263
77.08156286,76.21887004,-141.92031715,200.91481587,195.13429167,249.08346594
-1.94031177,0.74672122,-2.98125302

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443346/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.83573

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-7.56427

>  <SCORE.INTRA.DIHEDRAL>
3.00392

>  <SCORE.INTRA.DIHEDRAL.0>
2.807

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.06623

>  <SCORE.INTRA.VDW.0>
2.55267

>  <SCORE.INTRA.norm>
-0.270153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.244133

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000930

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 23  0  0  0  0  0  0  0  0999 V2000
  188.7643  207.5725  252.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5860  206.7257  253.2738 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8047  205.6048  253.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6550  204.7339  254.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3116  205.4455  255.9166 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0498  206.5852  255.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2026  207.4937  254.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3872  205.9429  256.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0042  206.4562  258.3257 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.8936  206.7309  259.3913 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.5295  206.6578  260.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9063  207.3247  260.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1470  208.3222  259.7153 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8421  207.7636  258.2641 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.0168  208.8955  257.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1308  209.2824  258.8199 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.1911  209.5184  259.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1909  208.1120  259.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8192  205.3765  258.8228 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5459  205.2603  258.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 18  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
168.39950823,-171.31294494,65.16549919,189.87103687,207.05402045,257.25677145
2.00924921,1.37382021,-2.22749586

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443347/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.86308

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-2.53692

>  <SCORE.INTRA.DIHEDRAL>
-4.4732

>  <SCORE.INTRA.DIHEDRAL.0>
4.9577

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.300327

>  <SCORE.INTRA.VDW.0>
-1.19234

>  <SCORE.INTRA.norm>
-0.133522

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.255951

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000199

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  181.0943  222.5558  257.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4379  223.2198  257.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5657  222.3981  257.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9156  223.0604  257.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0337  222.2298  258.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3829  222.8868  257.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4956  222.0532  258.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8441  222.7139  258.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9580  221.8805  258.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3052  222.5417  258.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4216  221.7112  259.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7707  222.3724  258.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8920  221.5449  259.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2447  222.2039  259.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3690  221.3789  259.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7039  222.0485  259.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3264  222.5786  260.6119 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2298  221.9199  258.0451 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
179.90672678,-179.95518005,179.68146357,-179.89166757,-179.80849720,-179.99045880
-179.93844825,179.88001597,179.99846561,179.91545774,179.97072576,-179.82497434
-179.65687197,108.84212183,192.14503347,222.26996945,258.57264480,-3.03064626
-0.02796935,1.73207267

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443348/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
19.1912

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.07778

>  <SCORE.INTRA>
-0.208772

>  <SCORE.INTRA.DIHEDRAL>
-0.635786

>  <SCORE.INTRA.DIHEDRAL.0>
1.91007

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.109122

>  <SCORE.INTRA.VDW.0>
-2.15887

>  <SCORE.INTRA.norm>
-0.0115984

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
1.06618

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016951

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 44  0  0  0  0  0  0  0  0999 V2000
  215.6729  191.4329  250.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4996  190.8113  250.3286 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5802  191.5413  249.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6108  190.6872  249.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9505  189.3949  249.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1416  189.4758  250.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8726  188.4146  251.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9058  188.6451  251.6283 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3051  187.1559  250.8656 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8262  186.0054  251.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2881  184.7487  251.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0718  183.8599  251.9823 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0952  184.5342  252.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9665  185.8604  252.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0769  183.9293  253.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0411  182.7329  253.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0179  184.8197  254.0303 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0220  184.4847  254.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9419  185.3735  255.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7802  184.6888  256.2762 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4265  183.3484  256.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3160  183.2364  255.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1010  182.3011  257.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0946  182.4966  257.7756 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5372  181.0458  256.9532 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0779  179.8536  257.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1708  179.2180  256.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4384  180.0432  256.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1056  180.2610  255.6372 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.9105  180.5697  257.8814 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8622  185.3137  257.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8394  182.4280  252.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5124  191.0054  248.3894 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2031  192.2548  247.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2231  192.4842  247.2369 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4802  187.0509  250.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.9844  185.7879  253.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.7180  180.9415  256.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.6712  179.7933  254.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.2884  179.9581  258.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.3602  181.3487  258.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.8780  190.2679  248.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 39  1  0  0  0  0
 30 40  1  0  0  0  0
 30 41  1  0  0  0  0
 33 34  1  0  0  0  0
 33 42  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
0.77951964,-0.94548286,-178.87922728,-1.83495291,-179.54438909,-0.68783021
-85.31767202,71.51000814,-136.63601662,69.17251272,217.30717733,185.53103264
253.21800961,-2.40732761,0.59937689,3.00423997

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443349/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.0008

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.44

>  <SCORE.INTRA>
-4.3992

>  <SCORE.INTRA.DIHEDRAL>
-2.47139

>  <SCORE.INTRA.DIHEDRAL.0>
5.97499

>  <SCORE.INTRA.POLAR>
-0.859355

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.241699

>  <SCORE.INTRA.VDW.0>
-0.759408

>  <SCORE.INTRA.norm>
-0.125691

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.314309

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011660

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  223.0767  177.0463  240.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3774  178.2015  239.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5350  179.4274  240.3964 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.7106  180.5232  240.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4897  180.7515  240.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6471  181.8074  240.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9887  182.6338  239.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1648  182.3890  238.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0039  181.3435  238.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5445  183.1519  237.5155 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9831  179.8929  241.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5107  179.6968  240.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.8673  183.8306  237.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-166.06792516,94.45925673,-0.03395330,221.36068736,180.62189367,239.76854083
-1.13940271,0.70523168,-0.65607339

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443350/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.60741

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-1.79259

>  <SCORE.INTRA.DIHEDRAL>
-0.0115729

>  <SCORE.INTRA.DIHEDRAL.0>
0.716606

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78681

>  <SCORE.INTRA.VDW.0>
1.61364

>  <SCORE.INTRA.norm>
-0.162963

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.509764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000309

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  194.8094  208.8501  258.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5459  208.4183  256.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4092  209.4470  255.8807 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0148  209.2160  254.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2042  210.3423  253.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7397  210.2208  252.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1459  208.9681  252.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9873  207.8419  252.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4278  207.9659  254.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7089  208.7461  250.4301 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.1667  210.0363  249.9570 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5982  207.6056  250.4392 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3655  208.3396  249.4941 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7533  207.0015  249.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3070  207.1350  250.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0031  208.8958  250.3856 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.3572  209.3847  249.2425 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.8094  209.3859  247.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6936  210.1843  247.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9999  209.9980  246.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4422  209.0293  245.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6287  208.3289  245.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3188  208.5296  246.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6240  208.6998  244.1956 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.5676  209.3275  244.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0218  207.7909  243.4526 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
>  <CHROM.1>
-179.83853849,-162.72220945,23.25221624,-70.70832564,169.96639766,195.34289174
208.81838591,250.10189461,1.28899651,-0.11012827,1.53073987

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443351/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.27785

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.12215

>  <SCORE.INTRA.DIHEDRAL>
-1.85959

>  <SCORE.INTRA.DIHEDRAL.0>
4.20523

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.192351

>  <SCORE.INTRA.VDW.0>
-2.28057

>  <SCORE.INTRA.norm>
-0.0431594

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.356841

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  200.6113  182.7361  252.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1597  182.7723  251.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7747  181.6706  250.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1152  180.5195  250.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6235  179.4238  249.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9944  178.3797  249.4591 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8250  179.6454  248.9252 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5396  180.8469  249.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0749  181.8504  249.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8804  182.9839  250.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0821  183.1105  249.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4995  182.1138  248.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7338  180.9612  248.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6904  182.3492  247.8929 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7733  181.8950  246.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7708  182.6840  245.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7562  183.9156  245.7214 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7382  181.8980  244.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
95.40388013,-143.92307929,64.49238901,53.41760896,202.71735055,181.64686589
248.82954110,-2.82002806,-0.76656999,-2.34537014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443352/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.75614

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.643864

>  <SCORE.INTRA.DIHEDRAL>
0.504793

>  <SCORE.INTRA.DIHEDRAL.0>
3.38567

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.89626

>  <SCORE.INTRA.VDW.0>
0.534305

>  <SCORE.INTRA.norm>
-0.0357702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.486452

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002464

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  187.0223  215.6461  264.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9283  214.3137  265.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7221  213.9365  265.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6009  212.7087  266.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7040  211.8445  266.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9207  212.2009  265.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0256  213.4391  265.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0495  211.2290  266.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0405  210.2387  266.7473 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0562  211.5598  265.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1192  210.5987  265.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6269  209.2423  264.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0178  208.1867  265.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7561  209.3066  263.5533 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3596  209.4425  263.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6300  210.4784  263.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2554  210.5889  263.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6246  209.7010  264.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3608  208.6679  264.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7184  208.5371  264.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4153  211.6353  262.8752 N   0  3  0  0  0  0  0  0  0  0  0  0
  185.7487  212.8151  263.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4200  211.2850  262.2372 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.2611  211.3503  262.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3064  212.3040  267.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0779  208.9152  262.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
-11.37051525,-175.75799730,62.71745448,-140.11506756,-87.76272913,126.08783981
187.56410988,211.25019952,264.69572504,-2.55750380,0.43741306,-2.54506512

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443353/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.32901

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-6.07099

>  <SCORE.INTRA.DIHEDRAL>
-0.828796

>  <SCORE.INTRA.DIHEDRAL.0>
3.74471

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.65659

>  <SCORE.INTRA.VDW.0>
0.210587

>  <SCORE.INTRA.norm>
-0.24284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.21316

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  200.9721  205.0573  244.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5537  203.4323  245.0448 P   0  0  0  0  0  0  0  0  0  0  0  0
  202.9199  203.9995  245.4235 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7631  203.2722  246.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1353  201.8073  245.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9136  200.7156  244.6080 P   0  0  0  0  0  0  0  0  0  0  0  0
  201.9350  199.6178  244.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4739  200.4106  246.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6921  199.6238  244.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3417  205.5126  245.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7562  202.3380  246.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1385  199.4936  246.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8571  200.1016  244.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <CHROM.1>
-43.40099503,168.89284804,-135.93300467,157.73009537,-149.45394697,125.27098729
201.23489101,202.00357918,245.08910626,1.34046206,0.28073636,0.23256467

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443370/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
-0.923645

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.14703

>  <SCORE.INTRA.VDW.0>
-0.867676

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.715219

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  197.1463  214.6245  254.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3555  215.7086  255.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1815  216.8204  254.8585 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8236  215.2335  256.4894 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9649  216.0870  257.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7913  217.2949  257.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8734  217.0816  258.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5963  218.1510  259.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2659  219.4573  258.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2388  219.6904  257.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5226  218.6199  257.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5916  216.3666  256.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6709  217.2709  257.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4006  217.4729  256.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0155  216.7787  255.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9016  215.8868  254.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1668  215.6736  255.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6684  215.1335  258.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0076  213.9544  258.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9813  215.7889  259.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7686  215.0573  260.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0733  214.7346  261.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2741  213.4830  262.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4864  213.2182  262.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4644  214.2036  262.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1860  215.4227  262.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0178  215.7098  261.4859 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-178.05712373,-62.76452354,-65.40376789,-173.73716589,-5.87973206,-174.31902693
63.76071570,-138.62169441,195.14201009,216.07796626,258.31133162,-2.00376043
0.48855428,2.08391721

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443371/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.0002

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-1.39979

>  <SCORE.INTRA.DIHEDRAL>
-2.23359

>  <SCORE.INTRA.DIHEDRAL.0>
5.66777

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.282995

>  <SCORE.INTRA.VDW.0>
-4.52389

>  <SCORE.INTRA.norm>
-0.0518441

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.444452

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  206.0755  186.0886  248.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3616  186.8670  249.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8049  187.1441  250.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9833  187.1901  247.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3515  186.7119  247.6170 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8066  187.6759  248.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0515  187.0019  246.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9548  187.5948  247.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <CHROM.1>
139.25881469,38.67388810,-179.16876533,206.94271499,186.84297753,248.63794061
2.59121595,-0.32071524,-1.42635453

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443372/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.88971

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-1.51029

>  <SCORE.INTRA.DIHEDRAL>
0.344755

>  <SCORE.INTRA.DIHEDRAL.0>
1.43135

>  <SCORE.INTRA.POLAR>
0.269375

>  <SCORE.INTRA.POLAR.0>
-0.474868

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.59854

>  <SCORE.INTRA.VDW.0>
2.55428

>  <SCORE.INTRA.norm>
-0.302058

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.17794

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.110287

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  200.0345  218.7412  256.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3004  218.1688  255.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9702  216.1342  254.9046 Sn  0  0  0  0  0  0  0  0  0  0  0  0
  202.7631  215.3548  254.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5492  213.9184  253.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4324  214.9353  256.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5471  214.9662  257.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2262  216.0622  253.3266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
179.43496673,-179.37332868,-59.96805649,200.88218430,216.07851317,254.91777689
-2.30797799,0.87073561,-2.08144154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443373/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.39476

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-0.00524493

>  <SCORE.INTRA.DIHEDRAL>
-0.0086435

>  <SCORE.INTRA.DIHEDRAL.0>
0.0095358

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000923177

>  <SCORE.INTRA.VDW.0>
-1.10594

>  <SCORE.INTRA.norm>
-0.000655616

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.04934

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023518

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  191.0603  204.5041  251.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9979  205.8758  250.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3407  206.3216  250.0184 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0893  205.3113  249.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0666  203.9300  249.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7151  203.4588  250.3206 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9689  207.4577  250.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2232  207.6759  250.2504 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9560  208.7924  250.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9142  209.3309  249.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7258  210.4052  250.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6003  210.9474  251.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6681  210.4105  252.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8513  209.3496  251.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9491  208.8735  252.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6503  209.0323  252.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1373  208.4019  251.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8077  208.6468  250.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0036  209.4749  251.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5107  210.0754  252.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8379  209.8542  253.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3650  209.7458  251.3210 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.1727  203.3241  249.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 23  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
171.31539335,192.59397156,208.12107923,251.15679297,-2.56794896,0.11817132
0.34050727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443376/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.79509

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-12.1951

>  <SCORE.INTRA.DIHEDRAL>
-28.1587

>  <SCORE.INTRA.DIHEDRAL.0>
29.9737

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.88426

>  <SCORE.INTRA.VDW.0>
-0.41394

>  <SCORE.INTRA.norm>
-0.554322

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
-0.263413

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000661

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  216.3628  180.2546  248.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8608  180.2580  247.8955 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0341  180.6980  249.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0887  182.2121  249.3205 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7043  182.9832  248.0190 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6246  182.5551  246.9405 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5395  181.1297  246.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1687  182.9509  247.5562 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3270  183.8612  248.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9803  183.3978  246.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4960  184.5999  245.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2351  184.8261  244.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3271  183.9804  243.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7901  182.8672  244.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1933  182.5271  245.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2622  184.1537  241.9064 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.8404  182.8219  241.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3897  182.9311  240.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3772  183.8424  239.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3601  183.5152  238.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6073  183.4928  237.5961 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.8672  184.8448  237.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1578  185.4863  238.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9412  185.3002  240.0949 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0864  185.4386  241.5342 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.8033  185.7938  242.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0661  186.3607  240.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5482  183.2227  236.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1820  185.6438  246.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3148  182.6020  250.4467 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5810  182.8178  247.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0469  183.1834  235.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4009  183.5625  250.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 26  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 25  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  1  0  0  0
 25 26  1  1  0  0  0
 28 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
177.80059328,73.85734580,-50.63658652,178.32429180,213.07180845,183.47034722
243.83801085,-1.49248775,0.80801282,-1.40001578

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443377/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.90673

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.246667

>  <SCORE.INTRA>
-4.49327

>  <SCORE.INTRA.DIHEDRAL>
-4.70305

>  <SCORE.INTRA.DIHEDRAL.0>
6.29146

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.14174

>  <SCORE.INTRA.VDW.0>
0.550305

>  <SCORE.INTRA.norm>
-0.149776

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0968911

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008808

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  205.1011  188.1323  242.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9013  189.6197  242.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3301  190.1589  243.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1429  191.5982  243.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6049  192.0511  244.6938 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6776  192.4013  242.7055 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1777  191.9011  241.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5782  192.8217  240.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1440  192.3387  239.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2551  190.9452  239.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8295  190.0669  240.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3137  190.5131  241.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7290  190.2562  238.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0232  189.6767  238.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4855  189.5003  236.5617 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7963  190.8446  235.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4841  191.6442  235.7401 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.1899  191.8025  236.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6598  193.0059  235.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3007  193.7348  235.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3078  192.9477  234.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1114  191.6805  234.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4093  190.8607  234.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6736  188.6854  236.4465 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6725  193.1496  238.3110 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8641  193.8690  238.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5349  194.1850  240.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2480  194.7835  240.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4655  187.7967  236.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
-65.66072055,67.45079327,103.01797494,-157.29042688,70.20665544,-65.79520589
61.55956113,62.46649926,206.15703236,191.56236350,238.98839568,-2.39311819
1.05846846,-0.80756796

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443378/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.483844

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-11.9162

>  <SCORE.INTRA.DIHEDRAL>
3.83494

>  <SCORE.INTRA.DIHEDRAL.0>
11.6345

>  <SCORE.INTRA.POLAR>
-1.70479

>  <SCORE.INTRA.POLAR.0>
-0.264977

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.03733

>  <SCORE.INTRA.VDW.0>
5.68214

>  <SCORE.INTRA.norm>
-0.441339

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0179202

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000116

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  220.6275  181.2139  246.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6156  182.3449  246.1781 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.8546  183.2305  244.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9045  183.1247  244.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9876  182.1017  244.3230 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.9244  181.2195  245.5868 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.2058  179.8487  245.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9368  181.2496  243.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0478  183.9488  243.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4652  183.1982  247.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4492  183.2907  248.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6068  183.8469  247.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0680  179.8856  244.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.0831  181.8486  242.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3053  184.5724  243.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.5377  184.3889  248.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  1  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  6  7  1  6  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <CHROM.1>
-114.46610243,1.42935298,59.76027678,-176.78230834,-179.17677101,220.75368469
182.38021648,245.51565143,-2.70429668,0.96978219,-0.93971494

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443379/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.70346

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-4.69654

>  <SCORE.INTRA.DIHEDRAL>
-9.60652

>  <SCORE.INTRA.DIHEDRAL.0>
10.9053

>  <SCORE.INTRA.POLAR>
0.636238

>  <SCORE.INTRA.POLAR.0>
-0.649348

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.05649

>  <SCORE.INTRA.VDW.0>
1.95644

>  <SCORE.INTRA.norm>
-0.391378

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.141955

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003952

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  216.8074  198.0682  241.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7247  198.1592  242.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4179  196.9089  242.8956 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.6621  196.6789  242.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1201  195.2283  241.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6772  196.8155  244.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4881  196.3417  245.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2892  197.1225  244.9802 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2439  196.6270  244.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2292  195.4699  243.8156 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0854  197.5366  243.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9825  197.0887  243.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8948  197.9280  242.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8829  199.2175  243.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9484  199.6607  244.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0501  198.8317  244.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1214  199.3077  245.3270 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9565  200.3336  244.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6157  201.4052  244.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2476  200.0148  245.2682 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2174  201.0354  244.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1381  202.1579  245.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6044  200.4036  244.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3156  198.0827  245.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0474  199.1785  246.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
84.04603224,-155.24158753,81.12852048,-52.87218241,104.10799013,-179.60970335
112.80337135,45.42593573,-178.88745504,75.53007640,216.33491263,198.37406221
244.00193519,0.22884363,0.00118867,-2.70534040

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443380/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.23789

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.669565

>  <SCORE.INTRA>
-11.1621

>  <SCORE.INTRA.DIHEDRAL>
-0.152055

>  <SCORE.INTRA.DIHEDRAL.0>
6.15733

>  <SCORE.INTRA.POLAR>
-1.60608

>  <SCORE.INTRA.POLAR.0>
-0.0348865

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.62543

>  <SCORE.INTRA.VDW.0>
2.82625

>  <SCORE.INTRA.norm>
-0.485309

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.184256

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000493

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  217.3915  190.0721  251.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7844  191.2725  252.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3263  191.7572  253.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7626  192.8679  254.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6679  193.5240  253.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1101  193.0354  252.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6685  191.9154  252.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2149  194.5961  254.5560 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3136  195.8660  253.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7982  196.1470  253.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4070  196.7757  254.6043 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3570  195.6023  252.5822 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7361  195.6709  252.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2828  194.8660  251.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6716  194.9332  250.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4906  195.8182  251.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9474  196.6606  252.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5796  196.5698  252.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6941  197.6016  253.3541 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0373  197.9076  253.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7645  197.4088  252.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5463  198.9317  254.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8386  199.5443  255.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6298  200.4768  255.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9130  200.5555  255.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1549  199.5214  254.0329 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.5303  193.8596  250.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7698  194.9969  252.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.1820  198.1921  254.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
116.20927439,-64.50366394,-92.43016203,166.13615654,3.77784238,3.67076532
219.67521548,195.87147687,253.22975005,-2.52726124,0.35012904,0.65104107

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443381/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.65007

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-1.74993

>  <SCORE.INTRA.DIHEDRAL>
1.45978

>  <SCORE.INTRA.DIHEDRAL.0>
4.3407

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.47982

>  <SCORE.INTRA.VDW.0>
0.591883

>  <SCORE.INTRA.norm>
-0.0648122

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.35741

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000052

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  211.0609  191.8552  251.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1976  191.0017  249.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4362  189.7493  250.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4974  189.5687  251.5834 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2490  190.8189  252.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1995  191.0500  253.3034 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6539  188.5173  249.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0265  187.8626  249.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6598  187.3713  248.5449 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5111  187.8707  250.7334 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9393  188.3242  251.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
115.37922184,-140.44078650,-2.74387440,211.99222337,189.51799904,250.65082023
2.43464027,-0.97063428,1.44298358

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443382/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.69333

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-3.70667

>  <SCORE.INTRA.DIHEDRAL>
-1.34184

>  <SCORE.INTRA.DIHEDRAL.0>
2.77089

>  <SCORE.INTRA.POLAR>
-0.887032

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.019841

>  <SCORE.INTRA.VDW.0>
0.425951

>  <SCORE.INTRA.norm>
-0.370667

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.369333

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.064676

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  183.4327  220.0167  258.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2648  218.5359  258.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2502  217.5671  259.5691 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.2753  217.8225  260.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2484  218.9468  261.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.2395  216.6331  261.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2168  216.8598  263.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1798  215.7881  264.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1716  214.4793  263.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2054  214.2113  262.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2300  215.3111  261.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2508  212.8070  261.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2543  211.7595  262.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3312  212.5348  260.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0749  218.1466  257.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
3.62468645,-177.81565558,0.33679080,183.24291661,216.14889039,261.11559634
0.64141419,1.56594629,0.39687195

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443383/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.82217

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-6.57783

>  <SCORE.INTRA.DIHEDRAL>
-17.4851

>  <SCORE.INTRA.DIHEDRAL.0>
17.6062

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.16472

>  <SCORE.INTRA.VDW.0>
1.21026

>  <SCORE.INTRA.norm>
-0.438522

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.121478

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005703

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  195.5104  200.9339  246.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7923  200.5612  246.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8868  200.9642  246.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6094  199.7251  248.0508 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7329  199.2146  248.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0486  200.0560  250.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3344  201.4979  249.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5792  202.0966  249.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4226  203.4158  249.3793 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0927  203.7009  249.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4751  204.9080  248.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0863  204.9088  248.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3283  203.7506  248.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9777  202.5513  249.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3814  202.5181  249.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9671  203.6322  248.7810 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3722  204.1689  247.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5134  206.0775  248.3934 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.6728  199.4546  248.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1742  204.0849  249.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
95.07538816,-57.34878159,-102.50172752,49.19699104,196.76998105,202.52082608
248.54473487,0.91667324,0.43587750,-2.86910032

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443384/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.72369

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-4.67631

>  <SCORE.INTRA.DIHEDRAL>
1.70267

>  <SCORE.INTRA.DIHEDRAL.0>
2.76103

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.52764

>  <SCORE.INTRA.VDW.0>
3.06836

>  <SCORE.INTRA.norm>
-0.259795

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.262427

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  218.8784  177.4168  248.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8797  178.1089  249.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0050  178.7047  249.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9551  179.3433  249.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8181  179.3767  251.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6809  178.7826  251.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7174  178.1618  251.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8419  180.0475  252.1548 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.0524  179.1820  252.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4892  177.8809  252.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8533  177.9666  251.9947 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.2971  179.2237  251.7637 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1793  179.9399  251.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8194  181.3053  251.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5840  182.2000  251.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4041  181.3280  251.6374 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.5824  182.3877  251.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1894  182.3539  251.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3798  183.3528  250.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9579  184.3941  250.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3374  184.4562  249.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1426  183.4637  250.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8668  185.7225  249.2642 Br  0  0  0  0  0  0  0  0  0  0  0  0
  223.7923  176.5806  252.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5244  177.2070  251.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  6  0  0  0
  8 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-72.10926085,8.18607866,222.09647188,181.36659651,250.66923681,1.08462027
0.35870298,3.03349260

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443385/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.68756

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-0.712442

>  <SCORE.INTRA.DIHEDRAL>
-2.04545

>  <SCORE.INTRA.DIHEDRAL.0>
2.97739

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.310284

>  <SCORE.INTRA.VDW.0>
-2.23973

>  <SCORE.INTRA.norm>
-0.0296851

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.278648

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  195.6071  211.6698  244.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8850  211.7677  245.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8071  210.7958  245.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1567  210.8662  245.7707 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3104  209.7412  246.8412 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3619  208.2924  246.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5355  208.1415  245.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5636  206.9282  244.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3718  207.2960  247.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1497  207.1819  247.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4666  209.9262  247.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3684  211.0083  248.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1556  210.7841  244.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4488  211.2084  245.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  6  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
119.67898046,66.98211984,163.06366359,64.40140825,70.27258386,-171.37664593
69.58421369,199.28051594,209.64408052,246.09011381,2.17075268,-0.23935797
-0.31361034

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443394/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.324

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-2.07596

>  <SCORE.INTRA.DIHEDRAL>
0.159834

>  <SCORE.INTRA.DIHEDRAL.0>
3.07335

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.310396

>  <SCORE.INTRA.REPUL.0>
0.310396

>  <SCORE.INTRA.VDW>
-0.603897

>  <SCORE.INTRA.VDW.0>
0.157776

>  <SCORE.INTRA.norm>
-0.148283

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.737431

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051818

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  217.6477  181.4706  241.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2320  182.2250  242.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5861  183.3945  242.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1961  181.5326  243.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7614  182.0049  242.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0505  183.4968  242.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2986  184.7766  242.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5877  186.2686  242.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0708  186.4963  242.8054 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.4844  185.5577  242.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.4794  187.2613  241.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5927  187.1384  244.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
-93.68932958,-48.32439301,-2.61097922,-158.99070096,2.95479536,216.56666479
184.23488471,242.71700291,-1.70787611,0.41250299,0.11746465

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443395/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.62102

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-1.77898

>  <SCORE.INTRA.DIHEDRAL>
4.95405

>  <SCORE.INTRA.DIHEDRAL.0>
1.2445

>  <SCORE.INTRA.POLAR>
-1.4275

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.597478

>  <SCORE.INTRA.VDW.0>
1.38073

>  <SCORE.INTRA.norm>
-0.161726

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.783729

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012721

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  198.0862  213.1982  258.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4775  214.2520  257.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3798  213.9652  257.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7850  214.9673  256.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3162  216.2604  256.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5050  216.4950  257.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0469  215.5239  257.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6910  217.3790  255.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0819  218.6328  255.5045 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7001  218.9913  256.7088 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8911  219.6562  257.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8165  220.1942  257.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7486  219.7830  258.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1383  219.3065  260.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7647  217.9845  259.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5286  217.1258  260.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2265  215.7588  260.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1542  215.2623  260.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3782  216.1226  259.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6971  217.4854  259.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7705  213.4171  260.0779 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.6680  217.6511  261.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5969  217.1005  254.7285 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7595  216.8295  255.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4160  217.8742  254.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
175.89196702,65.86835341,-98.76836487,-15.54281206,-126.95960540,58.53046759
109.58802613,195.90448387,216.26900930,258.54653974,2.94224518,1.49152764
1.29341974

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443396/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.181063

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-12.5811

>  <SCORE.INTRA.DIHEDRAL>
-16.2951

>  <SCORE.INTRA.DIHEDRAL.0>
23.5231

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.43352

>  <SCORE.INTRA.VDW.0>
-1.36365

>  <SCORE.INTRA.norm>
-0.547003

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.0078723

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000319

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  222.1335  187.6115  254.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8871  186.8463  253.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7029  187.3927  252.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4478  186.6371  251.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8371  187.1140  250.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9650  185.3833  251.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7164  184.5580  250.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2371  184.2958  249.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5700  184.5910  248.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1966  184.3869  248.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4739  183.8743  249.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1287  183.5609  250.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5052  183.7662  250.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
-179.65212161,109.48685959,176.97785674,-64.78017815,125.61967207,221.27912945
185.45404390,250.96163203,0.97300816,0.52474696,1.19943972

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443397/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36723

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-4.03277

>  <SCORE.INTRA.DIHEDRAL>
-6.93765

>  <SCORE.INTRA.DIHEDRAL.0>
9.02556

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.563948

>  <SCORE.INTRA.VDW.0>
0.0542047

>  <SCORE.INTRA.norm>
-0.310213

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.489787

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051728

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  197.4312  197.8222  253.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4988  198.6103  254.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4650  198.0108  255.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3744  196.6156  255.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3136  195.8297  254.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3459  196.4206  253.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2752  195.5845  253.1173 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1341  196.2466  252.4908 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1154  195.4780  251.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0662  196.1042  251.2668 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9095  195.0291  250.7059 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.3391  193.8436  251.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2315  194.0970  251.9891 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0928  192.7160  251.3528 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4363  192.7779  251.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0993  193.8762  250.9406 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4084  195.0890  250.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9975  196.1531  251.1556 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0656  191.5789  251.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3841  195.9522  255.8828 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4952  198.9092  255.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5735  200.1235  255.8022 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5163  198.2564  256.5161 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7001  191.8808  251.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7456  190.8963  250.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.1109  191.1728  252.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7905  196.6052  256.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8700  198.8426  256.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  1  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
>  <CHROM.1>
-0.00777700,0.40965878,-2.45671275,-178.20378704,57.91466751,-179.78264849
199.03188049,195.87444471,253.11044024,-2.72294449,-0.50479628,3.12511857

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443398/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.76395

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-6.63605

>  <SCORE.INTRA.DIHEDRAL>
-9.09104

>  <SCORE.INTRA.DIHEDRAL.0>
9.62282

>  <SCORE.INTRA.POLAR>
-0.873849

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.880559

>  <SCORE.INTRA.VDW.0>
-0.454448

>  <SCORE.INTRA.norm>
-0.288524

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.120172

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000638

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  223.3222  180.7125  247.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2320  180.6735  248.4784 N   0  3  0  0  0  0  0  0  0  0  0  0
  225.0045  180.0279  248.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.6400  181.6073  248.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.5980  180.2541  249.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4819  180.4323  250.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1730  181.6530  251.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9988  181.8436  252.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1496  180.8345  253.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4756  179.6321  253.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6485  179.4273  251.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6518  178.3808  254.2259 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.9688  182.5869  250.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7565  183.9359  250.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-170.73449059,46.89991668,136.42799582,224.93518151,180.62444113,251.35364927
2.24466966,-1.12431267,-0.46074919

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443399/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.29822

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-3.10178

>  <SCORE.INTRA.DIHEDRAL>
2.48012

>  <SCORE.INTRA.DIHEDRAL.0>
0.730223

>  <SCORE.INTRA.POLAR>
-0.76389

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.74462

>  <SCORE.INTRA.VDW.0>
1.74225

>  <SCORE.INTRA.norm>
-0.258482

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.441518

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001231

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  219.6458  171.7292  250.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6807  172.8293  249.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7515  173.1614  251.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4763  174.0938  249.4998 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.6750  175.3038  249.0389 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.7781  176.1139  248.3848 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.8775  177.2851  247.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1603  178.4464  248.2354 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6934  176.7740  247.5394 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6514  175.4164  247.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9725  174.5470  247.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6357  177.4967  246.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8141  178.8574  246.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7834  179.6302  246.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5590  179.0505  245.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3548  177.6917  246.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3851  176.9224  246.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5773  179.7744  245.2669 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.4341  174.9873  247.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6513  173.9473  248.6063 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7568  174.2052  246.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1191  173.1740  246.4633 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2739  174.6662  245.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7513  174.4303  243.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4537  174.9451  242.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6821  175.6100  242.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2140  175.7890  244.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4689  175.3362  245.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7095  175.4601  246.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7252  175.9246  247.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6374  173.0121  248.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-179.99865556,6.32977464,218.67021814,175.79093900,246.98136571,0.53245118
-0.52218719,2.14773236

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443400/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.54135

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.246667

>  <SCORE.INTRA>
-2.85865

>  <SCORE.INTRA.DIHEDRAL>
-6.35883

>  <SCORE.INTRA.DIHEDRAL.0>
6.90135

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.320764

>  <SCORE.INTRA.VDW.0>
-0.59073

>  <SCORE.INTRA.norm>
-0.0952883

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.151378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002677

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  185.7858  211.8363  255.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8220  212.9505  254.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4586  212.5967  255.1198 N   0  3  0  0  0  0  0  0  0  0  0  0
  182.6211  211.9342  254.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3205  211.6390  254.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8853  212.0256  255.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7607  212.6888  256.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0526  212.9648  256.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-90.63690812,183.03775455,212.32852848,255.34134610,0.18638296,-0.13854797
-2.00665522

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443401/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39912

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.000876248

>  <SCORE.INTRA.DIHEDRAL>
6.90767e-05

>  <SCORE.INTRA.DIHEDRAL.0>
1.2446

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000910786

>  <SCORE.INTRA.VDW.0>
0.142595

>  <SCORE.INTRA.norm>
-0.000109531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.79989

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017996

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  227.0812  184.2789  242.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6695  185.4007  241.6378 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.1383  185.2098  240.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1191  184.2345  240.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5571  184.0121  238.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.0348  184.7713  237.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0864  185.7594  238.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5982  186.0160  239.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6741  187.0453  239.4864 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.0696  187.8041  238.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5626  188.0930  238.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2016  188.6288  240.0139 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.9080  187.7948  241.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4307  187.6442  240.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5472  190.0464  240.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3082  190.7180  241.5818 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.9659  192.1042  241.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3946  191.9350  241.8095 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.0837  191.5472  240.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8507  192.0662  239.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5332  191.5681  238.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4223  190.5065  238.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6610  189.9470  239.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.4958  188.8225  239.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.7717  188.2787  241.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2634  188.8872  242.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4109  189.9869  242.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0432  190.5084  240.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8780  190.8236  241.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7074  191.2024  242.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-58.00215203,-175.89433941,-176.34603334,168.19327011,-69.72682539,177.15813586
69.80828857,43.16752432,227.00365992,188.43826575,240.26655902,1.11149459
-0.23239216,-3.06973947

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443410/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.62198

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-5.77802

>  <SCORE.INTRA.DIHEDRAL>
1.286

>  <SCORE.INTRA.DIHEDRAL.0>
6.66284

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.42102

>  <SCORE.INTRA.VDW.0>
3.45644

>  <SCORE.INTRA.norm>
-0.199242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.228344

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  214.8240  194.4097  237.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8605  195.0498  238.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3100  196.2091  238.8835 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.4304  195.8995  239.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1483  196.6265  240.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2116  195.5358  241.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9614  197.4245  238.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8409  198.2748  238.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6448  197.5041  238.6855 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8328  196.4557  239.5854 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1821  196.6422  240.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3490  197.8778  240.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2519  195.5751  241.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6156  195.7165  242.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6967  194.7018  243.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4090  193.5262  243.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0401  193.3827  242.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9645  194.3966  241.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5055  192.4315  244.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
48.58921130,-64.34767089,151.87253885,-63.08444927,65.40786208,106.96825459
178.09029352,213.52923651,195.68589698,240.64426700,-1.05161096,-0.61059742
2.35682829

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443412/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.97479

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-8.42521

>  <SCORE.INTRA.DIHEDRAL>
-3.66012

>  <SCORE.INTRA.DIHEDRAL.0>
5.90888

>  <SCORE.INTRA.POLAR>
-1.20447

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.49995

>  <SCORE.INTRA.VDW.0>
3.95336

>  <SCORE.INTRA.norm>
-0.468067

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.220822

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004971

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  189.1513  209.4421  261.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4591  210.2622  262.6425 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.6617  211.7702  262.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9831  212.6588  263.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5696  212.5755  263.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0285  209.9107  262.6831 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5443  208.8126  263.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2275  207.5819  262.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5982  206.5277  264.1541 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.1658  206.3442  263.9989 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4974  205.4256  264.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8301  207.7201  265.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5739  207.5254  266.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8533  208.5831  267.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3656  209.7874  267.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6091  209.9491  265.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3465  208.8958  264.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3934  206.9221  261.3853 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.3257  211.6339  263.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.5820  210.0269  261.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
179.00204707,83.92339504,-68.04276424,54.12236023,-98.28857740,186.57437204
208.63990550,263.84894198,-0.34504965,-1.11530096,-2.27080171

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443413/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.92351

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-5.47649

>  <SCORE.INTRA.DIHEDRAL>
-1.25672

>  <SCORE.INTRA.DIHEDRAL.0>
2.64198

>  <SCORE.INTRA.POLAR>
-0.753863

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.28499

>  <SCORE.INTRA.VDW.0>
0.292269

>  <SCORE.INTRA.norm>
-0.304249

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.217973

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001329

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  200.5809  208.5484  253.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2176  209.2153  254.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6668  210.5044  254.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3146  211.1579  255.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5230  210.4951  256.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0711  209.2055  256.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4159  208.5761  255.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3005  208.4792  258.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1997  211.0778  258.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7304  212.5386  255.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4415  211.6680  257.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
31.09275534,199.78243984,210.00969048,255.99624537,-0.89927949,-1.16027718
1.71930502

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443414/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.1347

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.54

>  <SCORE.INTRA>
-0.265297

>  <SCORE.INTRA.DIHEDRAL>
1.28214

>  <SCORE.INTRA.DIHEDRAL.0>
0.000279821

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.906367

>  <SCORE.INTRA.VDW.0>
1.38513

>  <SCORE.INTRA.norm>
-0.0265297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.51347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003904

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  210.5298  180.6280  245.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5377  180.6611  246.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7222  181.5330  246.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7737  180.9181  245.7488 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8511  181.6924  245.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8768  183.0415  245.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8489  183.6695  246.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7780  182.8901  246.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5035  183.7402  247.4605 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.0185  181.0497  244.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-89.87345538,212.98768542,182.19906090,246.26609614,2.72836899,0.27619476
0.41599125

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443416/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37838

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.0216153

>  <SCORE.INTRA.DIHEDRAL>
-0.0328638

>  <SCORE.INTRA.DIHEDRAL.0>
0.736433

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00518341

>  <SCORE.INTRA.VDW.0>
-0.453853

>  <SCORE.INTRA.norm>
-0.00216153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.637838

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000514

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  203.0744  222.8043  256.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8895  223.1306  256.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7460  223.0524  256.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1855  223.5533  254.5649 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2561  222.3204  253.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7912  222.0191  253.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1444  223.4004  253.1698 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.0933  224.4240  253.8900 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3696  225.3753  254.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1284  225.9438  254.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1016  224.8279  254.0510 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.5974  223.5346  253.3423 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.7024  222.3844  253.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2135  222.7909  253.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7539  224.0667  253.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7118  225.2312  253.4562 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2129  226.5818  254.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6927  226.4134  255.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4532  225.5767  255.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4762  224.4449  254.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4595  226.2251  255.9376 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0774  226.0213  256.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6544  227.2286  256.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2285  227.5339  256.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1888  227.2333  255.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2852  226.1984  254.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7775  225.4378  251.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7982  225.3193  252.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  6  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
88.32613807,175.21192371,-179.87188389,197.25489889,224.76902656,254.63032821
-0.14998941,-0.30632929,1.44385486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443417/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.46858

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-3.93142

>  <SCORE.INTRA.DIHEDRAL>
-8.53862

>  <SCORE.INTRA.DIHEDRAL.0>
10.7622

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.337886

>  <SCORE.INTRA.VDW.0>
-1.86212

>  <SCORE.INTRA.norm>
-0.140408

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.159592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012844

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  191.1770  223.4714  243.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0209  223.4865  244.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8856  223.1405  244.2331 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2733  223.9179  245.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2510  223.9260  246.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5202  224.3009  248.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8113  224.6666  248.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8325  224.6933  247.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5652  224.3129  246.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2275  225.0681  248.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1148  225.0469  247.2105 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4218  225.4420  249.3633 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7380  225.7881  249.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3336  226.9917  249.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1460  226.5558  248.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9522  223.5608  246.6935 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6366  225.5497  249.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5637  226.0431  247.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8684  223.2965  245.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
-178.53166833,0.23224064,177.86696917,61.05153599,-92.87501926,59.36325494
191.82142532,224.66682832,247.14587224,-2.55504080,0.29287396,1.33055088

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443426/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12334

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-2.27666

>  <SCORE.INTRA.DIHEDRAL>
0.267422

>  <SCORE.INTRA.DIHEDRAL.0>
4.10258

>  <SCORE.INTRA.POLAR>
-1.00325

>  <SCORE.INTRA.POLAR.0>
-0.0311072

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.00068

>  <SCORE.INTRA.VDW.0>
0.506749

>  <SCORE.INTRA.norm>
-0.142291

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.445209

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008105

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  202.2452  216.0287  253.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7531  216.0576  253.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8756  216.5560  254.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5443  216.4209  254.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2606  216.7836  254.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1276  216.5275  253.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2529  215.9222  252.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5073  215.5556  252.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6399  215.8105  252.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9802  215.5567  252.6609 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4914  214.8176  251.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6285  215.5992  250.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3425  216.8895  249.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1893  217.2526  255.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6037  218.3091  256.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4996  219.0845  255.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4803  219.5486  254.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4993  219.3158  256.8099 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6244  219.2984  258.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3163  219.9300  259.0285 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.8575  218.8604  258.6886 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9672  218.5667  257.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1319  218.4412  258.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9802  218.5218  260.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0973  218.8928  260.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2034  218.4820  262.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2119  217.6859  262.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1125  217.2897  261.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0086  217.7003  260.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9966  217.2193  259.9322 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.6685  219.7579  256.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
139.75489494,-101.24044498,-0.03015020,-138.47006970,198.82637225,217.55330498
256.36600476,-1.44887512,-0.24209438,1.30809823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443427/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.89321

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-0.506788

>  <SCORE.INTRA.DIHEDRAL>
-1.04026

>  <SCORE.INTRA.DIHEDRAL.0>
14.3134

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0133404

>  <SCORE.INTRA.VDW.0>
-3.07471

>  <SCORE.INTRA.norm>
-0.0168929

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.29644

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000075

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  202.7601  201.9310  246.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1838  202.3270  246.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1294  201.7421  245.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3121  202.4658  245.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1420  203.4443  246.4540 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8329  203.3663  246.8525 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3571  204.2855  247.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1963  204.2514  248.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3765  205.2607  248.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1069  206.1985  249.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1425  207.0782  249.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4811  207.1470  249.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2168  208.1291  250.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4205  208.8065  250.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7959  208.2783  250.8764 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.6374  202.2588  244.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.90403107,-0.31099540,205.61092201,205.04200664,248.09498498,1.80253319
-0.24307964,-2.41558394

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443428/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4001

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.9999

>  <SCORE.INTRA.DIHEDRAL>
-2.19413

>  <SCORE.INTRA.DIHEDRAL.0>
2.19443

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0971649

>  <SCORE.INTRA.VDW.0>
-0.305168

>  <SCORE.INTRA.norm>
-0.0624937

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.400006

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001819

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  193.8154  217.4950  259.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1785  218.9100  258.9979 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1839  219.9603  259.2957 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.0595  220.2709  260.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9797  219.3746  261.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7740  219.1720  260.0684 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.5313  217.7659  259.8794 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7035  220.1185  260.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7711  219.7862  258.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5539  219.1434  258.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3655  218.2109  258.8383 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0945  220.5905  258.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2930  221.7107  258.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7499  221.6719  257.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8935  220.7591  256.3737 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9301  222.9127  256.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5720  222.8090  257.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4161  223.0198  258.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1422  223.0022  259.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0173  222.7757  258.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1672  222.5555  257.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4390  222.5625  256.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4149  222.7633  259.3489 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.0346  223.2856  261.2065 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  3  2  1  1  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
86.70447433,-20.23442116,-62.07895417,0.89950058,-79.73925480,77.73069069
192.25304633,220.94234979,259.10603345,0.33939899,-0.39345296,2.71805814

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443429/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.43474

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-4.96526

>  <SCORE.INTRA.DIHEDRAL>
-1.40517

>  <SCORE.INTRA.DIHEDRAL.0>
5.65196

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.26268

>  <SCORE.INTRA.VDW.0>
-0.720754

>  <SCORE.INTRA.norm>
-0.206886

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.268114

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000148

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  201.0705  184.8247  241.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6079  186.1068  242.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7213  186.6473  243.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3158  187.9375  243.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4169  188.4607  244.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0229  189.7234  245.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8924  189.5177  246.5293 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.5983  189.2988  245.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9447  188.3488  246.5186 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8159  187.7366  247.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9959  188.3459  247.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2885  187.8811  248.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3865  186.5532  248.8768 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4819  186.6261  250.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5032  185.6756  249.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7913  184.8250  248.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1583  183.7925  248.7943 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0689  185.1440  248.2770 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.9950  184.9431  246.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3325  185.1523  246.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7970  190.7322  247.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
-179.91476416,178.06192908,-176.65959463,63.33420333,-68.68812654,-176.27881718
-63.52021753,65.70533966,201.20165387,187.03231731,246.55135319,-1.43241924
-1.43573959,1.89616123

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443430/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4045

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.638095

>  <SCORE.INTRA>
-2.99551

>  <SCORE.INTRA.DIHEDRAL>
-1.30712

>  <SCORE.INTRA.DIHEDRAL.0>
1.8522

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.34195

>  <SCORE.INTRA.VDW.0>
-1.04018

>  <SCORE.INTRA.norm>
-0.142644

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.495452

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  201.3405  217.1390  254.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2960  218.0560  253.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7513  217.3641  251.6851 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.0140  215.8356  252.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7539  215.8554  253.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4556  214.7285  251.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6561  214.9084  250.3246 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0540  213.8236  249.6083 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2855  213.9400  248.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2110  214.9362  247.5428 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7043  212.6071  247.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7971  211.6256  248.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9758  212.7210  246.2684 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4173  211.6984  245.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7092  212.0343  244.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2130  211.0684  243.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3954  209.7515  243.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0661  209.4068  244.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5832  210.3766  245.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0239  208.5111  242.6120 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.6109  211.5745  241.5981 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.1725  212.9095  250.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.9186  213.6721  245.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
0.33030642,179.93972424,-0.51184384,-176.46944636,203.76463667,213.06668417
247.38727214,-3.01611209,1.25542692,-0.72771592

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443431/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.16876

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-0.231241

>  <SCORE.INTRA.DIHEDRAL>
-0.573089

>  <SCORE.INTRA.DIHEDRAL.0>
0.613937

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0553036

>  <SCORE.INTRA.VDW.0>
-0.523089

>  <SCORE.INTRA.norm>
-0.0110115

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.436608

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  180.9574  222.7274  255.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3919  222.7093  256.1697 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.1105  221.4797  256.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1387  220.5715  257.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9542  219.4411  257.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7140  219.2031  255.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6412  220.0809  254.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8428  221.2217  254.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0471  223.9473  257.1327 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.8226  225.2132  256.4599 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.5944  223.7454  258.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8143  223.6816  257.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4193  223.0509  258.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7904  222.7599  258.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5640  223.0860  257.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9584  223.7774  256.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5899  224.0466  256.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9198  222.7125  257.0848 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9267  222.8314  256.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8304  223.3374  254.5495 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.1809  222.4264  256.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4976  221.8933  257.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6621  221.7127  258.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9164  221.5066  257.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2203  220.9697  259.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5212  220.4687  259.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6295  220.4539  258.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8397  219.8816  259.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9589  219.3129  260.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8703  219.3102  261.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6567  219.8787  260.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3506  219.8158  262.0587 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.1987  222.1692  257.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9034  222.5147  255.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-84.90223490,-60.09395474,-99.73562273,177.18127167,-179.15298365,-3.21700508
188.36378661,221.88543904,257.65288670,2.77902553,0.00898557,-0.97705786

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443432/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.75736

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-3.64264

>  <SCORE.INTRA.DIHEDRAL>
-5.54926

>  <SCORE.INTRA.DIHEDRAL.0>
7.97281

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.868009

>  <SCORE.INTRA.VDW.0>
-2.89328

>  <SCORE.INTRA.norm>
-0.113833

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.242417

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000151

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  222.3335  185.7559  243.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9958  187.2319  243.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4875  187.4970  243.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2352  189.0066  244.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5154  189.7972  242.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9424  189.8976  242.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4664  189.2090  241.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7696  188.2080  240.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4773  187.4892  239.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8408  186.4921  238.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4905  186.2257  238.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7697  186.9648  239.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4075  187.9544  240.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7948  190.9147  242.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0736  190.4605  244.2869 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6260  191.1420  244.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-177.95718339,70.52917895,-66.08521624,103.43891862,70.27989122,-174.31485349
179.64521486,221.53727746,188.23863249,241.91730456,1.01218876,1.23279884
1.54830597

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443433/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.43711

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-5.96289

>  <SCORE.INTRA.DIHEDRAL>
-14.3201

>  <SCORE.INTRA.DIHEDRAL.0>
15.9483

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.19718

>  <SCORE.INTRA.VDW.0>
-2.30252

>  <SCORE.INTRA.norm>
-0.397526

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.362474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017393

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  217.7082  188.5102  241.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0477  189.8690  241.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2421  190.2731  242.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7023  191.4921  242.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0674  192.1691  242.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8820  191.8446  244.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5066  191.0249  245.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3684  191.7240  246.8956 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.5637  193.1022  246.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3634  193.0830  244.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7010  194.2192  244.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1598  194.1653  247.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1421  189.7605  245.1841 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7019  189.0282  246.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7844  189.4223  247.3869 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2421  187.6385  245.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0301  187.1755  244.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4927  185.7833  244.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2986  185.0099  243.7715 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7790  183.6375  243.8407 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2673  183.1461  245.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3142  184.1390  246.4042 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.0673  185.5181  245.9793 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8453  186.6638  246.8087 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6252  183.9665  247.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7823  182.7329  247.7413 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.7344  184.2160  246.4763 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.6445  184.8370  248.2515 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.7175  182.7399  243.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7122  181.7825  242.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4103  181.2295  242.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7000  181.8849  243.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4790  182.8130  243.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1550  189.3774  244.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.2648  186.5060  247.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  6  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 33  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
179.93516610,2.48687101,-1.33755771,-178.40008590,-4.95806985,125.76646818
-60.66813925,218.56614942,187.50551084,245.01723258,2.19636271,-0.95955361
0.50406907

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443434/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.19825

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-8.20175

>  <SCORE.INTRA.DIHEDRAL>
-13.6576

>  <SCORE.INTRA.DIHEDRAL.0>
14.2702

>  <SCORE.INTRA.POLAR>
-0.0401356

>  <SCORE.INTRA.POLAR.0>
-0.416413

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.23649

>  <SCORE.INTRA.VDW.0>
0.447731

>  <SCORE.INTRA.norm>
-0.248538

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.12722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  196.5202  215.0846  255.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7243  216.1714  255.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1408  216.0047  253.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8103  216.4127  253.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1034  216.3047  252.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7235  215.8057  251.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0658  215.4028  251.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7723  215.5063  252.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0232  215.6849  250.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5784  215.2259  249.0573 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6717  215.2536  248.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4299  215.7630  248.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3889  216.2039  249.9836 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.0948  214.7519  246.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3105  213.3270  246.6356 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4240  212.9235  247.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2711  213.6973  247.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4677  211.4031  247.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6095  210.8862  249.1384 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.3719  211.8624  249.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6792  212.2981  251.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7139  212.9225  252.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4250  213.1157  251.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1094  212.7022  250.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0798  212.0816  249.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7224  211.6599  248.2636 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
136.53043388,179.64604765,68.48178007,-71.17218378,-9.39640295,-124.72358367
47.22130351,-144.54875500,193.51150880,214.07745903,250.27446711,-1.17257371
0.89215503,-2.37157123

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443435/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20919

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-7.19081

>  <SCORE.INTRA.DIHEDRAL>
-2.19813

>  <SCORE.INTRA.DIHEDRAL.0>
9.22715

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.09175

>  <SCORE.INTRA.VDW.0>
1.09884

>  <SCORE.INTRA.norm>
-0.27657

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.238815

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000643

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  190.9506  211.9716  239.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9356  211.1753  239.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9986  212.0750  240.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9794  211.2516  241.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0713  212.1031  241.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0522  211.2755  242.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1474  212.1243  243.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1343  211.2978  244.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2264  212.1521  244.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1898  211.2981  245.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2921  212.1251  246.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2289  211.2258  247.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2329  212.0320  247.7804 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3608  211.2913  248.6927 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.2142  212.3957  249.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5854  210.6634  249.7574 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0022  210.3620  247.7695 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  1  17  -1
M  END
>  <CHROM.1>
-179.89602834,179.76251674,-179.95148008,179.66461122,-179.72511289,-179.56721415
179.91205481,179.99777556,-179.80008840,-179.99735590,-179.92836425,179.82718036
199.36332687,211.55329867,245.10017079,-3.02423554,0.61202151,2.98155216

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443436/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.1397

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02353

>  <SCORE.INTRA>
-2.26033

>  <SCORE.INTRA.DIHEDRAL>
-0.276337

>  <SCORE.INTRA.DIHEDRAL.0>
0.278468

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.12216

>  <SCORE.INTRA.VDW.0>
0.575693

>  <SCORE.INTRA.norm>
-0.13296

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.890569

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009467

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  208.9746  197.0608  253.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9495  196.8379  254.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3556  197.3064  254.6911 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.2980  198.2544  254.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2623  197.4885  255.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7362  198.5317  256.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0123  196.4541  253.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2694  197.1374  253.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0112  198.3135  252.1753 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6477  199.6092  252.4432 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.5383  200.6724  252.3078 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.6278  199.9896  251.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8752  200.5052  250.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8356  198.4887  251.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1339  197.6209  250.9971 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8525  200.8483  253.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2462  199.9058  254.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0172  202.1188  254.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6547  203.2782  253.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4642  204.2395  254.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8430  205.5771  255.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4563  206.2105  256.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7131  205.5316  257.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3229  204.2010  257.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7191  203.6010  255.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4408  202.3199  255.5176 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7860  199.8118  251.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6150  199.5850  250.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6763  199.7495  249.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9256  200.1457  249.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1148  200.3808  250.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0565  200.2144  251.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4771  199.5065  247.8724 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  6  0  0  0
 11 12  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
46.65089417,-61.10796227,163.86744756,-70.40276923,125.34613374,47.49698895
-62.51517528,3.86846987,212.66697327,200.30725492,253.18371079,1.11063543
-0.85058630,-2.68205594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443437/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.08007

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-6.31993

>  <SCORE.INTRA.DIHEDRAL>
1.41151

>  <SCORE.INTRA.DIHEDRAL.0>
3.91268

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.92568

>  <SCORE.INTRA.VDW.0>
-0.395471

>  <SCORE.INTRA.norm>
-0.197498

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.221252

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000144

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  189.7033  209.1055  236.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8647  209.6692  237.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2814  208.5803  238.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4462  209.1467  240.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8594  208.0526  241.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0209  208.6233  242.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4334  207.5362  243.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5891  208.1211  244.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0126  207.0420  245.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1720  207.6222  247.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5987  206.5223  248.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7745  207.0451  249.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2030  205.9401  250.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3814  206.4712  252.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8100  205.4037  253.1426 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.7704  204.3000  253.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1651  204.8068  252.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9414  206.0955  254.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CHROM.1>
179.88962419,179.85856903,-179.92942478,-179.99910661,-179.93089902,-179.50807804
179.94745637,-179.87402916,179.97378833,179.94359022,179.84928147,179.96342704
-61.37406591,192.07012045,207.20894982,246.34494560,-2.57394532,-1.28630873
0.82631885

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443438/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.6787

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02222

>  <SCORE.INTRA>
-0.721326

>  <SCORE.INTRA.DIHEDRAL>
-0.0439025

>  <SCORE.INTRA.DIHEDRAL.0>
0.0496848

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.699374

>  <SCORE.INTRA.VDW.0>
0.691235

>  <SCORE.INTRA.norm>
-0.0400736

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.982149

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.232936

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  211.9090  191.9596  236.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3613  193.3663  237.2258 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1451  194.2267  237.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4740  193.7559  238.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4386  193.5963  240.0880 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7347  192.8624  239.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1341  191.7921  240.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5278  190.5743  240.1402 Si  0  0  0  0  0  0  0  0  0  0  0  0
  216.1820  191.4118  240.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3634  189.1136  241.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5567  189.9204  238.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4070  193.3255  238.3777 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.1674  194.6802  238.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2840  194.7407  239.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0304  196.0980  239.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1137  197.1963  239.6976 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4160  197.2948  240.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3752  197.3506  242.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3834  196.2002  241.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9742  196.1384  240.6981 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5759  197.2196  243.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1254  198.6975  242.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8258  196.3595  238.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7172  194.9319  240.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4156  194.7598  242.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9118  194.9709  243.2277 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6785  194.3011  242.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1551  194.1664  242.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  6  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
167.86804672,71.23532985,-176.91757510,-179.42011334,48.46274817,-110.47252386
-179.19916419,214.02833725,194.20039180,240.19364290,1.95248976,0.39290579
-2.89743304

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443439/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.9208

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.4792

>  <SCORE.INTRA.DIHEDRAL>
-0.143588

>  <SCORE.INTRA.DIHEDRAL.0>
3.48512

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.40741

>  <SCORE.INTRA.VDW.0>
-1.66042

>  <SCORE.INTRA.norm>
-0.128859

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.293363

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001097

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  201.8297  202.5865  270.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9507  202.6804  269.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4896  204.0876  268.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9167  204.8169  270.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7357  205.3892  270.7184 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1077  204.5283  271.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2582  203.0210  271.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2747  206.6735  270.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6833  207.5393  269.4898 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7468  207.2080  268.6779 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0368  208.0149  267.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2840  209.2648  267.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8872  210.2776  266.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1628  211.4072  266.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8362  211.5592  266.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2305  210.5783  267.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9443  209.4319  267.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2673  207.6514  266.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1238  206.6620  267.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2617  206.3423  266.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5124  207.0197  265.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6086  207.9907  265.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4916  208.3202  265.7401 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8447  207.3392  271.2142 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.7495  208.5048  270.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-178.73752031,171.54405749,158.73100611,-10.80937223,203.42412117,207.04570226
268.47086277,-1.97448188,0.63403793,-0.47554699

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443440/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.3294

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-2.0706

>  <SCORE.INTRA.DIHEDRAL>
-5.75379

>  <SCORE.INTRA.DIHEDRAL.0>
7.94366

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.806296

>  <SCORE.INTRA.VDW.0>
-1.45889

>  <SCORE.INTRA.norm>
-0.086275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.305392

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000823

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  195.4407  215.3380  260.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8933  215.6942  259.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2992  217.1153  259.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4141  216.4767  260.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2868  218.2501  259.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3206  218.7346  261.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1986  218.6601  258.9365 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1416  218.3379  257.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4946  217.8059  257.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5585  218.7141  257.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6280  218.9342  258.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3182  219.5304  259.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-107.88268120,197.04002780,217.81945348,259.15446505,-3.13665424,0.73698666
0.76478620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443441/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09169

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.308307

>  <SCORE.INTRA.DIHEDRAL>
-0.303242

>  <SCORE.INTRA.DIHEDRAL.0>
0.996615

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.156687

>  <SCORE.INTRA.VDW.0>
-0.664701

>  <SCORE.INTRA.norm>
-0.0256923

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.507641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057320

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  223.0389  191.3705  240.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2555  192.4504  239.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4262  193.5712  239.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3753  193.6083  240.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1996  192.5534  241.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0151  191.4237  241.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5959  194.7453  240.3363 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2612  194.6467  240.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4643  193.5318  240.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1265  193.5100  240.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5742  194.6223  241.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3448  195.7611  241.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6891  195.7731  241.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7669  194.5837  241.9570 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
148.23374512,-32.63366649,218.41125852,193.96097021,241.04968533,0.23214342
-0.26658730,2.99754413

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443458/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.36698

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.0330209

>  <SCORE.INTRA.DIHEDRAL>
-0.4671

>  <SCORE.INTRA.DIHEDRAL.0>
3.20223

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.200529

>  <SCORE.INTRA.VDW.0>
-0.18469

>  <SCORE.INTRA.norm>
-0.00235863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.526213

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000696

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  204.3712  227.0966  251.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3393  226.2137  250.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5708  225.3238  251.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0349  224.0427  251.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2979  223.2203  252.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1098  223.6817  253.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6512  224.9596  252.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3633  225.7616  251.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3638  222.8413  254.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7378  221.6276  254.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8939  220.7810  255.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8627  221.1713  255.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4356  219.5194  255.6326 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5867  219.3769  255.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1657  220.7939  254.1863 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.3605  218.2379  255.0641 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9682  217.0576  255.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9798  216.7973  256.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4033  216.7137  256.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7353  217.9384  255.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6880  218.1630  254.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-89.31659458,2.08854983,-4.42266895,202.07553301,221.39934611,254.07865237
-1.59205681,-0.33113127,2.64263282

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443459/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.52933

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-13.2751

>  <SCORE.INTRA.DIHEDRAL.0>
14.4761

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.76687

>  <SCORE.INTRA.VDW.0>
-0.840193

>  <SCORE.INTRA.norm>
-0.231937

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.168063

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003255

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  201.2092  210.6206  251.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0218  211.0852  252.1584 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1022  212.6162  252.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2812  213.0113  253.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3460  214.4236  253.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5090  214.8105  254.9157 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0262  214.2814  254.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6824  213.4006  256.0516 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.9380  214.2755  257.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0058  214.5996  258.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4094  215.4023  259.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7296  215.8711  259.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6720  215.5454  258.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2746  214.7478  257.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1698  214.2724  256.2262 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0589  212.7490  256.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1241  211.8596  256.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8512  210.4964  256.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5304  210.0346  255.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4558  210.9264  255.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7219  212.2824  256.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6384  210.6082  251.5567 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.3485  211.1878  250.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6153  209.0824  251.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4908  211.0136  252.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 15  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
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 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
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M  CHG  1  22   1
M  END
>  <CHROM.1>
-161.92251458,-62.84722426,-179.78943956,-177.33358933,-53.88377191,198.47641393
212.70914858,254.93145557,-0.68352861,1.26235885,0.12874538

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443461/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.17288

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
1.13351

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79387

>  <SCORE.INTRA.VDW.0>
3.72749

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.366915

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.108285

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  183.3290  216.6417  268.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1114  215.8457  267.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4024  215.3990  267.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1530  214.6849  266.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6264  214.4327  265.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3274  214.8368  265.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5767  215.5450  266.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4385  213.7569  264.5517 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1857  213.4381  263.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3105  212.7748  262.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1704  212.6807  263.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6739  213.3393  264.9275 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4370  211.9289  264.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4599  212.3458  261.4390 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.4525  212.8673  260.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4455  212.2539  260.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2540  214.3480  260.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8982  215.1841  261.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8576  215.2733  262.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9667  214.7602  262.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3695  216.0288  263.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9615  216.2978  264.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1163  217.0630  265.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9258  217.3578  264.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8047  216.7453  263.3896 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.6200  218.2487  265.6325 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.0307  213.9140  262.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6060  212.0711  260.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-176.92307805,115.90388773,109.95199788,45.50324803,63.98812108,5.15096920
175.66159229,186.91046330,214.99181319,264.04157338,2.47748064,0.84472439
0.24214023

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443462/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.78128

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-4.51937

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0.0271801

>  <SCORE.INTRA.POLAR.0>
-0.0271801

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.45145

>  <SCORE.INTRA.VDW.0>
-0.798828

>  <SCORE.INTRA.norm>
-0.319212

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.140047

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  195.5375  222.3063  259.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4518  221.9940  261.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5615  221.0190  261.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7722  220.3614  260.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8416  220.6463  259.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7355  221.6455  258.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9599  219.7359  258.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3686  218.9324  259.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8928  219.3175  260.8712 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4673  217.9072  259.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1804  217.6781  258.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7891  218.4595  257.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6644  219.5003  257.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5133  218.1623  255.6411 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.5786  217.1475  255.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2175  218.6051  255.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.5826  218.5051  255.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7234  218.8509  261.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
-45.45139114,193.16031755,219.79290168,259.10891789,-0.58149153,-0.83402620
-1.47666702

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443464/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39775

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385714

>  <SCORE.INTRA>
-0.00224948

>  <SCORE.INTRA.DIHEDRAL>
-0.00724628

>  <SCORE.INTRA.DIHEDRAL.0>
0.715445

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00137366

>  <SCORE.INTRA.VDW.0>
-0.081669

>  <SCORE.INTRA.norm>
-0.000160677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.385554

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000664

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 42  0  0  0  0  0  0  0  0999 V2000
  211.2599  193.6582  241.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6079  193.1385  241.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2458  193.2867  242.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1437  192.0914  243.3228 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9183  192.1435  244.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4264  192.0710  244.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1165  192.9086  244.9997 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0381  191.0893  243.6238 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4032  189.9483  242.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6099  188.5966  243.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4938  188.4287  244.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6884  187.1602  245.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9189  186.0655  244.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0385  186.1798  243.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9369  187.4574  242.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0595  184.9122  245.4325 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2008  185.4582  246.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7115  186.8184  246.8481 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5036  191.1710  243.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1510  190.1465  244.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9440  189.0767  244.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4854  188.3890  245.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0651  188.9378  246.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0278  190.2738  246.1200 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.8051  191.0409  243.1696 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.6567  191.6484  243.8216 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7168  190.6781  241.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1290  189.5572  244.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2984  188.3514  243.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4993  187.1458  244.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6960  185.9374  243.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9238  184.7495  244.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9459  184.7511  245.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7278  185.9402  246.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4994  187.1480  245.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2742  188.3592  246.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0819  189.5590  245.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 37  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-159.80363050,-70.52803028,-76.58010208,131.34589352,-104.48269592,102.77495147
42.88133556,116.23844493,-112.93457906,213.65745375,189.19905008,244.31752819
-2.09560180,0.23778395,2.83258596

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443465/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.99279

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389189

>  <SCORE.INTRA>
-8.40721

>  <SCORE.INTRA.DIHEDRAL>
-1.01123

>  <SCORE.INTRA.DIHEDRAL.0>
9.78979

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.90159

>  <SCORE.INTRA.VDW.0>
-6.32418

>  <SCORE.INTRA.norm>
-0.227222

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.161967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000157

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  200.4798  198.6275  250.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3648  198.2878  249.5318 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5719  196.8683  248.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5297  196.5479  248.0253 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6805  195.2244  247.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0687  198.4185  250.2033 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1326  199.4085  250.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3767  200.9344  249.4416 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.8723  199.0320  250.4722 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6266  197.7126  250.8510 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3847  197.3704  252.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0686  197.7219  253.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6658  197.1897  254.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3360  197.5136  255.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4941  198.4423  255.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1032  198.6961  256.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8711  199.0504  254.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1754  198.6755  253.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9070  199.9617  254.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0519  200.8444  253.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7297  197.6243  250.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0865  199.6626  250.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0727  197.1822  250.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87715097,105.67650365,-177.85365312,109.75858394,-48.03966144,-161.89307944
197.66871116,198.48321273,251.71106216,-1.26199956,0.98446425,1.17031643

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443474/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.41202

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-2.98798

>  <SCORE.INTRA.DIHEDRAL>
-0.345099

>  <SCORE.INTRA.DIHEDRAL.0>
3.97406

>  <SCORE.INTRA.POLAR>
2.00265e-11

>  <SCORE.INTRA.POLAR.0>
-0.187024

>  <SCORE.INTRA.REPUL>
6.40262e-06

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.81546

>  <SCORE.INTRA.VDW.0>
0.641075

>  <SCORE.INTRA.norm>
-0.149399

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.420601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  202.6078  213.6357  234.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0461  213.9333  236.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9272  213.3210  237.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3663  213.6130  238.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2567  213.0010  239.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6923  213.2886  241.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5836  212.6764  242.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0159  212.9677  243.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9109  212.3615  244.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3459  212.6540  245.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2428  212.0525  247.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6744  212.3446  248.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5735  211.7456  249.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0067  212.0343  250.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9083  211.4394  251.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3392  211.7304  253.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2401  211.1353  254.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6943  211.4585  255.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5964  210.8635  256.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0471  211.1844  258.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9526  210.5950  259.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4048  210.9093  260.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3130  210.3257  261.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7614  210.6336  263.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6628  210.0529  264.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1084  210.3623  265.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.82964213,-179.80778816,-179.77647735,-179.99285819,179.94804777,-179.72245470
179.90302410,-179.79843827,-179.91448703,-179.86818965,-179.91703069,-179.80705475
179.97028887,179.97718931,178.40328332,-179.97004141,-179.84431303,-179.73387209
-179.80804241,-179.74175898,-179.70200863,179.96227232,-179.98890496,204.31862347
211.93571270,250.15588731,-1.72837948,-0.55874419,1.60652135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443475/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
28.4065

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.09231

>  <SCORE.INTRA>
0.00645215

>  <SCORE.INTRA.DIHEDRAL>
0.0129397

>  <SCORE.INTRA.DIHEDRAL.0>
0.000289119

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.77223e-05

>  <SCORE.INTRA.VDW.0>
-3.30798

>  <SCORE.INTRA.norm>
0.00024816

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
1.09256

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018595

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  205.0186  199.8750  246.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8803  200.4282  245.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0319  199.7242  245.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7751  201.9337  245.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7499  202.5396  246.9283 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.5419  199.6503  248.2239 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
-87.45833010,-89.90282797,203.75659373,200.81704237,246.75910922,0.01294645
1.05480561,-2.03033430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443476/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64027

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-0.759728

>  <SCORE.INTRA.DIHEDRAL>
-0.155213

>  <SCORE.INTRA.DIHEDRAL.0>
2.68779

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.682122

>  <SCORE.INTRA.VDW.0>
-0.334159

>  <SCORE.INTRA.norm>
-0.126621

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.10671

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.064703

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  203.4841  212.8218  247.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3740  212.8103  249.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1076  214.0797  249.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1624  211.5457  250.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5523  210.2206  249.3619 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9704  210.1657  248.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9591  209.4800  249.4556 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0635  209.7276  248.6806 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6826  210.5460  247.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3530  210.8793  247.8160 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7221  211.1250  246.4564 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.5989  212.2816  245.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2324  209.0574  250.1889 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9610  207.8695  249.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9338  207.7421  248.3578 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7362  206.8751  250.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4469  205.5444  249.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6335  204.9851  249.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2322  204.6369  251.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1435  205.5301  249.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2381  209.0984  251.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
63.97260352,58.39478810,106.82093328,151.92745421,-175.01444020,-179.37488440
62.77911947,205.25669966,209.48314292,248.81047196,0.99806725,0.53737989
-0.06570951

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443477/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.8242

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-0.5758

>  <SCORE.INTRA.DIHEDRAL>
-0.0310809

>  <SCORE.INTRA.DIHEDRAL.0>
2.469

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.56026

>  <SCORE.INTRA.VDW.0>
0.16683

>  <SCORE.INTRA.norm>
-0.02879

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.59121

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000269

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 23  0  0  0  0  0  0  0  0999 V2000
  205.1768  196.8689  248.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6650  198.7449  249.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4034  200.0117  248.6426 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6298  201.5012  248.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9053  202.1819  247.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8063  201.4912  245.9701 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6486  199.9158  245.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8809  199.2132  246.8686 N   0  0  1  0  0  0  0  0  0  0  0  0
  204.2668  197.2262  247.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7208  202.1530  245.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4058  202.2542  245.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4401  202.9367  244.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7689  203.4954  243.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0581  203.3511  243.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0303  202.6799  243.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2400  203.5478  247.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1730  204.1986  248.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7760  203.5171  249.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5284  202.1661  249.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7951  204.5319  246.1978 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  1  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-55.80717606,204.34411460,201.76377856,246.82060110,1.11844325,1.09370210
2.88337104

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443478/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39655

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.00344968

>  <SCORE.INTRA.DIHEDRAL>
-0.000796258

>  <SCORE.INTRA.DIHEDRAL.0>
0.718588

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00305155

>  <SCORE.INTRA.VDW.0>
-1.55192

>  <SCORE.INTRA.norm>
-0.000172484

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.319828

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002184

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  181.6361  219.8410  256.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0051  220.2062  256.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9918  219.2623  256.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1966  218.0411  256.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3182  217.2629  256.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2249  217.7009  257.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0297  218.8860  258.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9150  219.6629  257.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3144  216.9688  257.6011 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.1818  217.6941  255.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3210  216.4753  254.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2725  216.0916  253.4176 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.4667  215.0349  252.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5900  214.1178  252.7894 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.7865  213.7894  253.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4026  214.5739  254.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5163  214.0810  255.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0896  212.8663  254.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5536  212.1346  253.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4055  212.5967  253.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4888  212.2939  255.6474 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  181.2970  214.6381  251.3977 S   0  0  0  0  0  0  0  0  0  0  0  0
  180.0062  215.9000  251.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1799  215.8777  252.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8650  215.7261  252.8704 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.5170  215.7361  254.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6258  215.8865  254.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6731  215.9816  254.1156 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.6559  216.0567  254.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
46.55665089,-179.99064808,-1.59383112,-2.75078715,-67.25437300,-119.70668467
183.59598523,215.83103678,254.70889361,3.09940840,0.38084612,-2.54266550

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443479/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.73213

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-6.66787

>  <SCORE.INTRA.DIHEDRAL>
-11.4374

>  <SCORE.INTRA.DIHEDRAL.0>
15.3876

>  <SCORE.INTRA.POLAR>
0.0610884

>  <SCORE.INTRA.POLAR.0>
-0.77292

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15688

>  <SCORE.INTRA.VDW.0>
-0.210729

>  <SCORE.INTRA.norm>
-0.238138

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.169005

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000086

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  192.6741  219.8400  254.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3813  221.1433  253.6910 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.5319  222.3008  254.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7981  221.1517  254.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7525  220.1519  253.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8675  220.4604  253.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5158  221.2904  252.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0602  222.4700  251.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2020  222.6293  250.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7907  221.6200  249.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2527  220.4432  249.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1198  220.2822  251.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9401  221.7768  247.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4082  221.8274  247.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0821  220.5647  247.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8198  220.5760  248.9459 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7953  219.3096  247.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2104  218.0368  247.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4479  217.8079  249.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0542  218.0203  250.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3849  217.6782  251.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0960  217.1242  251.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4393  217.0586  250.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1221  217.3660  249.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5600  216.2800  252.6905 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.2255  216.6367  254.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0613  216.4870  252.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8994  214.8305  252.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3414  214.5349  252.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8263  214.1140  250.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  CHG  2   2   1  25   1
M  END
>  <CHROM.1>
67.72432513,175.71693722,115.80364420,65.83072973,57.98085813,-104.11566318
-165.30254054,63.27029783,-105.60127949,26.06761244,57.79192721,-119.03094370
194.51654744,219.11892036,251.10483823,1.74959989,-1.21923839,2.89346381

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443481/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.83329

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.58

>  <SCORE.INTRA>
-7.56671

>  <SCORE.INTRA.DIHEDRAL>
-0.157646

>  <SCORE.INTRA.DIHEDRAL.0>
6.20381

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.48789

>  <SCORE.INTRA.VDW.0>
7.23005

>  <SCORE.INTRA.norm>
-0.252224

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.327776

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002738

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 61 66  0  0  0  0  0  0  0  0999 V2000
  197.3721  225.5036  255.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8380  225.7285  255.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5900  224.6931  255.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0279  224.7994  256.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8301  223.8549  256.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5165  222.6803  257.2323 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4557  221.5658  257.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8182  220.2302  257.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8166  219.4262  257.0248 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4363  218.1089  257.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1810  216.8445  257.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7165  216.2661  255.8863 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4574  217.0561  254.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2576  217.9477  254.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5828  218.2160  254.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2803  219.2492  254.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7584  220.0531  253.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5152  219.8981  252.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6586  218.7879  253.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5174  218.6067  252.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7987  220.7416  251.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1633  220.5728  250.1450 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5806  220.9689  249.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8444  222.4875  249.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0160  223.1440  248.9411 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6310  222.8883  249.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3194  221.3809  249.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5366  219.6588  254.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5323  220.2094  257.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0521  220.6729  255.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1080  221.3626  254.9050 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8425  222.4206  254.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6187  223.2513  253.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0664  223.2721  253.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7302  224.2146  252.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0045  225.2394  251.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6618  225.2799  251.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8652  224.2590  252.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6346  224.2664  252.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7226  226.2389  251.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2448  227.2569  250.1328 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1279  228.0750  249.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3633  227.4701  248.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2544  227.0761  247.3344 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2271  226.1484  247.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0292  226.7232  249.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2327  224.2804  252.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6531  226.0058  255.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8127  226.0146  254.9835 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7766  227.2310  255.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4403  227.0409  255.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5872  228.5159  255.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5069  228.6615  253.9366 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1643  230.0026  253.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4046  231.1899  253.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6466  230.8547  252.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9054  229.6461  252.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8600  228.5011  252.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9349  222.7949  258.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9315  215.6389  256.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.0632  221.0464  255.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 51  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 48  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 59  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 60  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 61  1  0  0  0  0
 32 33  2  0  0  0  0
 33 38  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 47  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 40  1  0  0  0  0
 38 39  2  0  0  0  0
 40 41  1  0  0  0  0
 41 46  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 58  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
M  END
>  <CHROM.1>
158.26522499,-165.28410338,66.67387318,174.28060986,-93.67755116,116.06534084
-81.81976994,44.85466371,53.11052571,77.11165168,-63.58029271,-51.16371761
-144.77805940,7.98640676,-178.43423036,58.75061079,178.21489252,201.03873263
223.52825374,253.27768762,-2.03628170,1.49745684,-3.06825316

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443482/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.67147

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.386207

>  <SCORE.INTRA>
-16.7285

>  <SCORE.INTRA.DIHEDRAL>
-0.783621

>  <SCORE.INTRA.DIHEDRAL.0>
13.0978

>  <SCORE.INTRA.POLAR>
0.156695

>  <SCORE.INTRA.POLAR.0>
-0.156695

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-16.8695

>  <SCORE.INTRA.VDW.0>
-3.83635

>  <SCORE.INTRA.norm>
-0.288423

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
58

>  <SCORE.norm>
0.097784

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.112057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  195.5518  223.6036  258.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
-111.62364698,4.90675591,-1.22529100,-175.43708071,56.22098757,-131.89139169
196.01492373,224.68146427,251.11312283,1.47193076,-0.40260620,1.82309690

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443483/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.00772

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-4.39228

>  <SCORE.INTRA.DIHEDRAL>
1.35634

>  <SCORE.INTRA.DIHEDRAL.0>
5.2005

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.07045

>  <SCORE.INTRA.VDW.0>
6.46878

>  <SCORE.INTRA.norm>
-0.156867

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.250276

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000254

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
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 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  2  0  0  0  0
 81 83  1  0  0  0  0
 83 99  1  0  0  0  0
M  END
>  <CHROM.1>
72.25285769,-44.74135352,-97.78035400,149.20891341,155.55084202,-114.89851912
136.61497813,-71.38029163,-22.45438945,81.75774613,104.63808698,-62.81005987
-20.32612762,-63.97447925,-172.43842509,137.19579146,-59.42208656,70.10349904
-96.09325556,99.36749353,93.76311487,100.07695086,-173.99618812,84.79701863
1.84829759,-179.06194474,68.19793896,-169.88981722,154.64072104,68.71219189
-175.15209953,178.11536615,176.61061032,68.80919276,168.46286006,-170.80380665
92.87817015,-59.74054934,74.71658563,-98.39912222,176.41121660,200.54245297
193.98795212,247.83239345,0.76702686,-0.65853511,-2.78373923

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443484/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.1773

>  <SCORE.INTER>
44.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
39

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53494

>  <SCORE.INTRA>
-30.2227

>  <SCORE.INTRA.DIHEDRAL>
-3.27496

>  <SCORE.INTRA.DIHEDRAL.0>
36.1577

>  <SCORE.INTRA.POLAR>
-1.89345

>  <SCORE.INTRA.POLAR.0>
-1.26183

>  <SCORE.INTRA.REPUL>
-0.370507

>  <SCORE.INTRA.REPUL.0>
0.374103

>  <SCORE.INTRA.VDW>
-20.295

>  <SCORE.INTRA.VDW.0>
-8.52795

>  <SCORE.INTRA.norm>
-0.364129

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
83

>  <SCORE.norm>
0.170811

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.263184

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  199.2825  211.0244  245.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0089  210.2399  244.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3094  209.8454  245.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8887  210.2216  246.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1620  211.0049  247.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8686  211.4026  246.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1995  212.1759  247.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2953  208.7971  243.7835 Br  0  0  0  0  0  0  0  0  0  0  0  0
  198.3182  212.3765  247.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
0.10217479,201.23426973,209.93359071,245.09907395,2.16298036,-0.36603657
1.09239804

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443485/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39803

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.675

>  <SCORE.INTRA>
-0.00197243

>  <SCORE.INTRA.DIHEDRAL>
-0.00557568

>  <SCORE.INTRA.DIHEDRAL.0>
0.00558445

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000815415

>  <SCORE.INTRA.VDW.0>
0.310091

>  <SCORE.INTRA.norm>
-0.000246553

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.674753

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001322

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  197.0477  212.5050  245.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5575  212.2137  245.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8594  213.0153  244.3587 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.3725  212.6604  244.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7854  212.2414  245.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9826  214.4415  244.6442 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3225  215.0566  245.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6165  214.4510  246.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5431  216.5643  245.7323 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0091  217.2795  244.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1616  218.7537  244.5570 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4220  219.2242  245.1992 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.0781  220.1501  246.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3364  220.5091  247.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6525  221.4700  248.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9786  221.2973  248.4551 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5306  220.2374  247.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7975  219.6363  247.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9803  218.5099  246.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9374  217.9782  246.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6842  218.5834  246.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5076  219.7323  246.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4056  218.1186  245.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0104  216.8558  245.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6793  222.0873  249.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0299  219.3112  243.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9125  212.9584  246.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4965  215.0026  243.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  6  0  0  0
  9 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 23  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
175.90478558,30.13762657,-69.39231278,57.01879020,62.26658047,196.00369210
217.30290244,246.04489300,-2.07611431,-0.47371591,0.10041492

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443486/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.26092

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-2.13908

>  <SCORE.INTRA.DIHEDRAL>
1.64783

>  <SCORE.INTRA.DIHEDRAL.0>
3.15794

>  <SCORE.INTRA.POLAR>
-0.99939

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.434932

>  <SCORE.INTRA.VDW.0>
-0.470224

>  <SCORE.INTRA.norm>
-0.0822723

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.279266

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000980

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  214.5955  187.3799  244.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3081  188.5192  245.2037 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4282  189.4645  245.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8238  190.6950  245.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3245  190.6045  245.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1283  189.3113  244.7820 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.8526  188.5699  245.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8150  187.9186  246.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8560  187.0506  246.7072 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.8150  186.8432  245.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7557  187.5133  244.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7878  188.3741  244.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0316  186.1785  247.9211 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0634  185.0623  247.6505 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.5016  185.5497  247.8720 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6204  186.2427  249.2359 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5919  187.3744  249.3772 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2368  186.9374  249.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7143  188.0247  250.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0249  189.1975  250.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4595  187.1795  251.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3654  185.1865  250.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3680  184.4106  247.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9158  184.5370  246.3274 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5497  187.6027  252.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2739  185.5430  251.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.1609  183.8352  248.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0811  185.2895  245.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13  9  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  6  0  0  0
 15 16  1  0  0  0  0
 15 23  1  1  0  0  0
 16 17  1  0  0  0  0
 16 22  1  1  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
40.27712213,-72.81740586,61.28953772,-66.52559023,-170.89978426,117.34384085
179.40076661,212.64188989,187.35953175,247.29980377,-1.49544714,0.91365767
1.94922384

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443487/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.53896

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-5.86104

>  <SCORE.INTRA.DIHEDRAL>
-7.9062

>  <SCORE.INTRA.DIHEDRAL.0>
11.0093

>  <SCORE.INTRA.POLAR>
-0.153271

>  <SCORE.INTRA.POLAR.0>
-0.585453

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.38682

>  <SCORE.INTRA.VDW.0>
-1.7367

>  <SCORE.INTRA.norm>
-0.24421

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.10579

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000561

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 50 49  0  0  0  0  0  0  0  0999 V2000
  199.6755  223.0039  257.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8954  221.8713  257.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5970  222.3780  256.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8133  221.2370  255.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2782  220.2769  256.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5279  219.1317  256.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2208  218.9138  256.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4532  217.7850  255.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8277  216.8842  256.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1497  215.5810  257.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5799  214.7223  258.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9237  213.4341  258.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3230  212.6005  259.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6593  211.3185  259.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0110  210.3964  260.5101 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4437  209.0891  259.7909 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2494  209.2371  258.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0221  209.7731  259.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5405  208.9320  260.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1454  207.5353  260.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0213  207.1968  259.9525 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1595  206.6509  260.4031 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4635  208.3835  259.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3033  210.0963  261.8773 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.5829  208.7317  262.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1117  208.8200  263.3716 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8206  207.7163  264.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2008  206.7056  264.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4051  207.9598  265.6269 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3864  207.0471  266.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7537  205.7367  266.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6469  205.6583  267.0453 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5776  204.5200  266.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7541  210.1015  263.9879 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4949  210.6478  263.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2379  211.3708  262.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4433  210.1657  264.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6611  210.6610  266.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8098  209.9609  267.2139 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.1486  208.4755  267.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3412  207.5487  267.2573 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4456  208.2521  267.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0248  210.6628  268.4957 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9068  205.7454  260.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0858  207.5473  258.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7897  208.3699  266.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5128  210.7310  264.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6881  207.3173  267.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.9909  210.4870  268.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.4411  210.2571  269.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  6  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 47  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 39 38  1  6  0  0  0
 39 40  1  0  0  0  0
 39 43  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  0  0  0  0
M  END
>  <CHROM.1>
179.99569489,68.34709475,-178.85050911,-117.28504758,121.80526261,-117.47516264
-177.78108032,-178.55127264,123.09120272,-67.50465879,-171.30117317,-62.19460758
173.55684165,-58.30848300,-59.82460234,-89.42049510,179.43722385,-43.96515949
-173.81868365,-105.54041977,146.56811293,-117.16127063,-72.16322108,-36.79397689
-87.06832723,68.99764102,-167.03324658,65.92166120,-121.40126320,-67.99836939
-176.07050165,191.65870372,211.41823270,261.70314800,-0.58826004,1.06431408
1.61287700

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443488/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
21.7489

>  <SCORE.INTER>
33.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
28

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.776744

>  <SCORE.INTRA>
-11.6511

>  <SCORE.INTRA.DIHEDRAL>
-1.47652

>  <SCORE.INTRA.DIHEDRAL.0>
13.6535

>  <SCORE.INTRA.POLAR>
-1.60061

>  <SCORE.INTRA.POLAR.0>
-0.393168

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.47081

>  <SCORE.INTRA.VDW.0>
-4.58569

>  <SCORE.INTRA.norm>
-0.270957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.505787

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003587

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  228.7741  187.0989  242.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3832  187.0991  243.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4944  185.6990  244.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0846  185.6783  245.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6277  186.0253  245.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7446  185.0187  245.6753 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.4405  185.3092  245.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0144  186.5551  246.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8727  187.5637  246.5443 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.1876  187.2802  246.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1204  188.2609  246.6417 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.8064  189.5088  246.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-179.16287698,64.49086766,79.28991907,131.23394561,226.68396089,186.80737950
245.41884815,0.19695770,-0.63821960,-2.79575832

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443489/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.30296

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.09704

>  <SCORE.INTRA.DIHEDRAL>
2.57263

>  <SCORE.INTRA.DIHEDRAL.0>
0.92491

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.38335

>  <SCORE.INTRA.VDW.0>
1.9627

>  <SCORE.INTRA.norm>
-0.0914197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.691914

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  200.7975  197.4350  247.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8978  198.9854  247.6974 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.6262  199.9248  246.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6085  199.5347  245.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9472  201.2485  246.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5333  201.0703  245.5981 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7971  202.3956  245.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5427  202.1237  244.9405 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.6310  200.4009  244.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9857  199.5078  244.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-9.84241098,-66.93392299,176.97615942,-178.82048401,65.06278715,199.36017007
200.20944306,246.11967880,0.83069628,-0.34889976,2.25307203

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443498/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.66591

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-1.73409

>  <SCORE.INTRA.DIHEDRAL>
-1.01201

>  <SCORE.INTRA.DIHEDRAL.0>
2.45347

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.22809

>  <SCORE.INTRA.VDW.0>
1.02196

>  <SCORE.INTRA.norm>
-0.192677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.851768

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051509

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  203.0587  189.2374  242.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8090  188.3399  243.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1923  188.0684  243.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8083  187.1410  244.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0559  186.5174  245.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7106  186.8242  245.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0917  187.7239  244.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1823  186.8454  244.1452 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1813  187.6823  244.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0119  188.7750  245.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3629  186.9775  244.5372 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9358  185.6978  244.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6603  185.5568  244.0964 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7072  187.4016  244.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5498  186.6628  245.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0241  188.6881  244.0855 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3779  189.2030  244.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1109  189.0956  245.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4172  189.6054  245.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0247  190.1992  244.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3436  190.3105  243.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0396  189.8244  243.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2840  190.6487  244.5355 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.5581  188.5570  246.5328 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.0655  189.4694  243.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9323  190.9324  243.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1913  189.3740  241.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9764  188.7080  242.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
77.70123374,-42.03996536,131.36186087,209.39458640,188.39884078,244.21301543
3.00671835,0.18230674,2.50320770

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443499/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.66118

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-1.73882

>  <SCORE.INTRA.DIHEDRAL>
-2.17136

>  <SCORE.INTRA.DIHEDRAL.0>
9.06156

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.653142

>  <SCORE.INTRA.VDW.0>
-1.81963

>  <SCORE.INTRA.norm>
-0.0621008

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.237899

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000160

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 49  0  0  0  0  0  0  0  0999 V2000
  197.2268  220.9499  261.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6837  220.5130  259.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6076  220.5012  258.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1945  220.2777  257.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8472  220.0683  257.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9315  219.9956  258.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3382  220.1606  259.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0513  219.9100  260.8807 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.3585  221.5868  260.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2775  222.7896  261.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9018  223.4256  260.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9832  224.3248  260.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4505  224.5289  261.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7903  223.9888  262.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7010  223.1359  262.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3307  224.2690  264.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5830  225.2261  259.1812 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3864  224.3221  258.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0646  224.1402  256.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0313  224.9507  256.3230 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3121  225.9164  257.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5554  226.0602  258.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8773  227.1375  259.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0704  227.2599  260.4467 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0254  228.1558  258.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2423  227.5212  257.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2431  226.8000  256.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1736  226.5479  257.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5347  228.6351  256.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7614  224.7752  254.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4506  224.7382  254.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2113  224.4421  253.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2380  224.3357  252.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5429  224.4337  252.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7913  224.5741  253.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0024  224.0147  250.4369 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.8616  224.0807  252.6739 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.4110  223.0439  253.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2552  224.8402  251.9113 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.7406  223.1458  256.2329 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4648  223.5965  258.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3570  223.0011  259.3080 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4360  223.2006  258.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5374  223.4309  255.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1340  222.5069  255.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 12  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 27  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 40 44  1  0  0  0  0
 40 45  1  0  0  0  0
 41 42  3  0  0  0  0
M  CHG  2  37   1  39  -1
M  END
>  <CHROM.1>
90.97576095,-50.01593167,84.87743198,-73.12659799,-97.13532194,137.49999838
195.25914412,223.84086972,257.51994890,-1.03674085,1.25161095,-1.82566362

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443500/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.53434

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.265116

>  <SCORE.INTRA>
-5.86566

>  <SCORE.INTRA.DIHEDRAL>
-0.354064

>  <SCORE.INTRA.DIHEDRAL.0>
10.1612

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.68863

>  <SCORE.INTRA.VDW.0>
-2.47362

>  <SCORE.INTRA.norm>
-0.136411

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.128706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  183.6449  214.0484  251.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3636  213.2340  252.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1696  213.4459  253.8010 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.9687  212.5229  254.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6320  211.7715  253.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2855  212.1873  252.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5082  210.6982  254.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8728  211.2685  254.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7827  212.2525  255.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1783  212.7270  256.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1308  213.7209  257.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7500  214.9866  256.6157 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4124  215.1591  256.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0873  215.7574  255.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7523  215.9549  254.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7310  215.5335  255.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0560  214.9305  256.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3948  214.7415  257.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3131  215.6810  255.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2975  215.3274  256.0297 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.1434  215.6326  255.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7028  216.3524  253.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1107  216.2333  254.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-83.44233853,65.24664291,176.57472912,179.54125339,-78.37780494,80.56690367
-136.12694515,-179.86831162,185.44882447,214.08744197,254.89365215,3.02703980
-0.45551999,0.72339717

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443501/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.2153

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-1.1847

>  <SCORE.INTRA.DIHEDRAL>
3.8241

>  <SCORE.INTRA.DIHEDRAL.0>
2.4306

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.09676

>  <SCORE.INTRA.VDW.0>
-0.112435

>  <SCORE.INTRA.norm>
-0.0515089

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.5311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001967

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  205.7894  188.3177  243.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5886  189.7736  243.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0948  190.1124  243.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2011  190.0601  245.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7056  189.9542  245.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5335  190.9819  245.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0371  190.8635  245.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7749  191.6570  244.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5362  193.1667  244.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2772  191.3692  244.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3413  191.2087  243.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2161  190.6307  242.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3870  191.3830  243.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1025  191.5494  243.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
66.14730666,-178.50485183,114.88002007,115.90175646,62.40624112,61.36357712
208.17247406,190.69255609,244.27674078,-3.11785652,0.36132148,1.81042291

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443502/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.71633

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-0.683668

>  <SCORE.INTRA.DIHEDRAL>
-0.021298

>  <SCORE.INTRA.DIHEDRAL.0>
0.345736

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.673019

>  <SCORE.INTRA.VDW.0>
1.53564

>  <SCORE.INTRA.norm>
-0.0569724

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.726361

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000935

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  218.4201  191.6277  263.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6545  191.3012  262.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9122  191.5242  261.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1588  191.2290  260.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1303  190.6538  259.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8783  190.4231  260.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6357  190.7631  261.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3289  190.3849  258.2426 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5167  189.5840  257.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5262  188.9719  257.8792 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9052  189.4319  256.1587 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9606  190.0513  255.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7404  190.8178  256.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1250  189.7260  254.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2992  190.5662  253.2233 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9742  190.2437  253.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5312  189.3418  253.9748 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2132  191.1055  252.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6395  192.1427  251.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5578  192.7510  250.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3658  192.1573  251.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5090  190.8940  252.2758 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.8204  192.5731  250.5383 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.5400  191.4546  259.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2579  190.5500  257.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2686  188.8521  255.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
165.67324189,85.02994354,-74.19629647,2.26723795,-0.45516523,217.93325915
190.89785485,255.85891797,1.19653289,-0.32412039,1.53071257

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443503/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.41834

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-2.98166

>  <SCORE.INTRA.DIHEDRAL>
-6.25245

>  <SCORE.INTRA.DIHEDRAL.0>
9.1196

>  <SCORE.INTRA.POLAR>
-0.407163

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.52891

>  <SCORE.INTRA.VDW.0>
-0.335774

>  <SCORE.INTRA.norm>
-0.124236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.309097

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000276

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  196.7309  223.1439  260.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9456  223.4695  259.5823 Si  0  0  0  0  0  0  0  0  0  0  0  0
  193.8236  222.7172  260.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6676  225.3284  259.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5912  222.8391  258.0256 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8388  221.4741  257.9005 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9918  220.6474  258.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3567  219.4756  258.3613 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3076  218.2905  259.1053 Si  0  0  0  0  0  0  0  0  0  0  0  0
  193.2486  218.5953  260.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6442  218.4542  258.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0628  216.6329  258.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1653  223.3046  257.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8020  221.1468  257.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
57.49612864,70.85920104,-179.25986203,-58.60136731,194.18434979,220.92602077
259.18993982,0.77998306,1.13361978,0.82953036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443504/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.37463

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.02537

>  <SCORE.INTRA.DIHEDRAL>
-1.7328

>  <SCORE.INTRA.DIHEDRAL.0>
1.94383

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.15897

>  <SCORE.INTRA.VDW.0>
-1.14669

>  <SCORE.INTRA.norm>
-0.0854473

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.697886

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  188.5789  218.6010  257.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5470  217.4396  258.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7182  216.1387  257.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7377  214.9953  258.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5886  215.1794  259.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4237  216.4630  260.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3545  217.5960  259.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3291  218.8435  260.2567 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5979  213.8683  261.0746 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.8417  212.5003  260.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9046  211.3085  260.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1093  210.0199  259.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1490  208.8774  260.6016 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.3601  207.5372  259.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9922  208.7210  262.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2596  210.1744  258.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1978  211.3712  257.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9776  212.6527  258.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9297  213.7417  257.9023 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1317  219.4344  260.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.4593  219.3557  260.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  1  13   1
M  END
>  <CHROM.1>
-53.27253392,188.80676575,213.48673276,259.56934438,-2.16556744,-1.43215826
2.39132156

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443505/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.81732

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-0.582679

>  <SCORE.INTRA.DIHEDRAL>
-0.178887

>  <SCORE.INTRA.DIHEDRAL.0>
0.614259

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.493236

>  <SCORE.INTRA.VDW.0>
0.0642411

>  <SCORE.INTRA.norm>
-0.0306673

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.306175

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000480

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  201.7618  205.7679  255.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7472  204.6302  255.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0663  204.8337  256.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5072  206.2687  256.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7387  207.3425  256.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3249  207.1216  255.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5092  208.5776  256.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7681  208.3560  256.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0548  206.7328  256.9614 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.8075  209.2700  256.6874 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0605  209.0496  256.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0986  208.8592  256.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1018  209.0925  254.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8750  209.0115  253.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8698  208.9696  252.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0083  208.9932  251.8525 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1908  209.0724  252.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3312  209.0934  251.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6125  209.1697  252.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7589  209.2296  253.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6245  209.2126  254.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3158  209.1264  253.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6458  208.8470  251.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5150  208.8451  250.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1674  208.6901  249.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2948  208.5968  251.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1046  208.7042  252.5307 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.1280  209.9192  255.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9954  210.1962  255.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1114  210.8630  255.5314 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7930  209.8176  257.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0196  210.6635  255.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0890  211.4703  254.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
4.50896067,-122.49437975,-113.06605933,-15.41992323,177.36327988,-9.07194994
206.09767873,208.36225776,254.37152067,-2.72364571,-0.21514350,-1.27602964

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443514/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.02238

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-8.37762

>  <SCORE.INTRA.DIHEDRAL>
-9.67502

>  <SCORE.INTRA.DIHEDRAL.0>
11.9099

>  <SCORE.INTRA.POLAR>
-0.724571

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07656

>  <SCORE.INTRA.VDW.0>
-2.84969

>  <SCORE.INTRA.norm>
-0.279254

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.100746

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000075

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  198.6955  194.9051  255.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0556  194.3899  254.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5467  192.9761  253.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9428  192.4195  252.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3272  193.2174  251.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4556  193.8274  250.6283 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6677  193.1461  250.9318 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1710  193.8737  249.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5436  194.7365  249.1361 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3785  195.1625  248.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6515  194.6302  248.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8217  193.6197  249.5317 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.7488  194.8308  247.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1617  193.5315  246.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2939  192.8377  246.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6340  191.6003  246.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8463  191.0419  245.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7263  191.7266  244.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3855  192.9662  245.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2777  192.4773  251.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-179.40912178,62.98247178,-114.39767092,4.03038045,-118.32826658,-98.76069026
200.82699170,193.46892741,249.40045707,-2.41467233,0.69091799,-1.12058419

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443515/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.794

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.606

>  <SCORE.INTRA.DIHEDRAL>
-2.90786

>  <SCORE.INTRA.DIHEDRAL.0>
5.33427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.152069

>  <SCORE.INTRA.VDW.0>
-2.13032

>  <SCORE.INTRA.norm>
-0.0845264

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.515474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000885

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  199.6425  219.4158  252.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6399  220.3759  252.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7217  220.1265  251.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8086  218.9276  250.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8158  217.9708  250.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7326  218.2060  251.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9208  216.7183  249.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0035  215.9115  250.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0167  216.6139  249.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9620  217.6384  248.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8875  218.7390  249.6389 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0531  217.4441  248.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3379  217.3119  248.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4013  216.0905  249.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1301  214.9531  249.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1744  213.8060  250.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4815  213.7881  251.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7642  214.9114  251.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7313  216.0461  250.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4879  212.5839  252.1932 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.1307  211.6071  251.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8548  212.6208  253.2614 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.1397  215.3884  248.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2892  214.3830  248.4590 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7402  213.2881  247.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9334  213.4687  247.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4095  215.1018  247.2518 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
3.15056252,-111.93315323,62.94614742,105.59049880,203.12926271,215.94105589
249.96036256,-2.81950081,0.85310093,-1.96920052

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443516/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.76087

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-12.1609

>  <SCORE.INTRA.DIHEDRAL>
-21.6869

>  <SCORE.INTRA.DIHEDRAL.0>
26.9746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.31743

>  <SCORE.INTRA.VDW.0>
-0.0165454

>  <SCORE.INTRA.norm>
-0.450403

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
-0.102254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000465

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  206.8814  218.1700  249.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4853  218.2491  248.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5433  217.1907  247.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2126  217.3418  245.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1382  218.8355  245.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3539  219.6729  246.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0292  219.6294  247.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2830  216.6898  244.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8525  216.6714  245.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8515  215.7795  247.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6743  214.8115  247.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6144  213.7478  247.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4479  215.4034  248.8308 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
104.93587374,120.64461531,205.85211231,216.88771773,247.16490550,0.28920345
1.33939420,0.82675112

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443517/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.69623

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.703766

>  <SCORE.INTRA.DIHEDRAL>
-0.728852

>  <SCORE.INTRA.DIHEDRAL.0>
2.39039

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.33934

>  <SCORE.INTRA.VDW.0>
-1.29931

>  <SCORE.INTRA.norm>
-0.0541359

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.515095

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003496

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  207.0409  188.2409  237.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2528  187.0341  237.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1320  187.4587  238.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6645  188.2614  239.9411 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4930  189.4256  239.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6031  189.0049  238.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5267  188.5948  241.1879 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.6468  189.6502  240.7385 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0001  187.3320  241.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5465  189.2612  242.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1895  190.4601  243.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0267  191.0014  244.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2066  190.3390  244.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5311  189.1140  243.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6961  188.5682  242.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1121  191.0107  245.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8814  192.1033  245.9380 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2414  190.2839  245.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2111  190.9126  246.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7278  192.1716  245.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6635  193.2829  246.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3008  192.0659  244.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7315  193.2482  243.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2564  193.2211  242.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3547  192.0085  241.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9379  190.8262  242.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4103  190.8502  243.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9892  191.9723  240.2212 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-76.96801341,130.26150690,0.32684250,175.59068098,-65.69921224,123.51828887
178.17221398,208.20675661,190.25854148,242.34137505,-2.52063138,0.39380341
1.28355311

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443518/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.69492

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-2.70508

>  <SCORE.INTRA.DIHEDRAL>
-5.27707

>  <SCORE.INTRA.DIHEDRAL.0>
8.22474

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0665461

>  <SCORE.INTRA.VDW.0>
-0.659503

>  <SCORE.INTRA.norm>
-0.09661

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.346247

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002356

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  195.7770  209.7298  245.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8599  209.6990  246.6129 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0847  208.9013  247.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3954  209.6711  246.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3785  211.0442  247.6182 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1949  211.8393  247.0125 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8555  211.1182  247.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1366  213.1742  247.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3891  210.9054  249.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6216  210.1281  249.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3652  212.2465  249.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9441  213.6405  247.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
58.42311873,62.74551416,197.46792379,210.81375676,247.62527324,-2.55600875
-0.79434563,0.32289857

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443519/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.34903

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-4.05097

>  <SCORE.INTRA.DIHEDRAL>
-6.12585

>  <SCORE.INTRA.DIHEDRAL.0>
6.35836

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.988047

>  <SCORE.INTRA.VDW.0>
1.95919

>  <SCORE.INTRA.norm>
-0.36827

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.213548

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001457

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  179.2663  216.0194  257.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6849  214.6116  257.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5472  213.8815  258.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8781  213.8133  259.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4414  215.2158  259.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5971  215.9409  258.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1047  213.0377  261.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5154  213.7812  262.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4183  213.1617  263.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9229  211.8736  263.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4984  211.1486  262.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5370  211.6840  261.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1685  209.8674  262.9776 N   0  3  0  0  0  0  0  0  0  0  0  0
  180.3696  209.5563  264.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.5217  209.1952  261.9973 O   0  5  0  0  0  0  0  0  0  0  0  0
  177.7816  213.8629  264.5854 N   0  3  0  0  0  0  0  0  0  0  0  0
  176.5837  214.1472  264.4504 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.4609  214.0445  265.6046 O   0  5  0  0  0  0  0  0  0  0  0  0
  178.1255  215.0672  262.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.1476  215.2708  261.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  4  13   1  15  -1  16   1  18  -1
M  END
>  <CHROM.1>
-83.94569958,12.27018813,179.11592849,213.15269281,261.74545742,1.48351656
1.05968564,-0.89657985

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443520/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.31652

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-2.08348

>  <SCORE.INTRA.DIHEDRAL>
-3.66006

>  <SCORE.INTRA.DIHEDRAL.0>
4.32202

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.253445

>  <SCORE.INTRA.VDW.0>
-0.778872

>  <SCORE.INTRA.norm>
-0.109657

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.227185

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002259

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 44  0  0  0  0  0  0  0  0999 V2000
  206.5622  195.5065  248.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2045  196.2720  248.6434 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.1471  195.3483  249.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7465  194.1498  248.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2178  194.5739  247.0526 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.2456  195.4633  246.2754 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7036  196.6636  247.1977 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.6707  197.6528  246.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9811  198.8763  247.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4578  198.5104  248.7600 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.4369  197.5983  249.4956 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1311  198.3481  249.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1600  198.4747  248.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2845  199.3430  247.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1572  197.5320  248.7074 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8499  197.8988  249.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2668  198.9445  248.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8157  200.2073  248.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3588  200.9380  247.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4671  200.2065  246.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1047  198.6458  246.6233 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.7195  199.7222  249.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4261  194.5788  245.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5604  196.0245  244.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5131  196.9410  245.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9523  195.2743  247.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9149  194.4512  247.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0468  193.2456  247.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7420  195.1598  247.7435 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5104  194.6215  248.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3703  195.4401  248.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1168  194.9242  248.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0170  193.5766  248.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1486  192.7700  248.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3839  193.2927  248.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6917  196.0115  248.5708 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.5840  196.5776  250.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1806  196.8473  247.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4544  200.1837  249.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9012  196.5009  245.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7693  196.1190  247.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  1  0  0  0
  6  7  1  0  0  0  0
  6 23  1  6  0  0  0
  6 24  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  1  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 41  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
-72.05830492,66.71771592,-63.99916955,-44.96621811,-81.03633255,100.20704495
64.85600894,-123.29611639,-53.53779828,-0.60185560,-175.84862629,-96.53531351
201.48037062,196.65172475,247.95050097,-0.20314538,-0.08687172,-3.10226587

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443521/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.38854

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416216

>  <SCORE.INTRA>
-14.0115

>  <SCORE.INTRA.DIHEDRAL>
-5.21917

>  <SCORE.INTRA.DIHEDRAL.0>
12.7319

>  <SCORE.INTRA.POLAR>
-1.77737

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.35881

>  <SCORE.INTRA.VDW.0>
-0.522641

>  <SCORE.INTRA.norm>
-0.378688

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.0375282

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  206.4314  204.8765  246.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3226  204.7093  247.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8206  204.8243  248.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2581  205.0822  248.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6308  205.1246  247.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9378  205.3679  247.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8996  205.5799  248.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5491  205.5429  249.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2256  205.2891  249.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2954  205.8470  247.7086 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.5687  205.8697  246.5021 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1128  206.0347  248.6214 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.9438  204.6987  250.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5989  204.3981  249.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1213  204.3001  248.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9875  204.4545  247.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3584  204.6259  251.3722 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1540  204.0229  251.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4987  205.5334  251.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2 16  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <CHROM.1>
-43.36634229,207.48004542,205.11808079,248.46287852,2.96227388,0.18910190
1.56583371

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443522/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95557

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-0.444431

>  <SCORE.INTRA.DIHEDRAL>
-0.233622

>  <SCORE.INTRA.DIHEDRAL.0>
0.614731

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.32762

>  <SCORE.INTRA.VDW.0>
-0.209225

>  <SCORE.INTRA.norm>
-0.026143

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.350328

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000162

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 53  0  0  0  0  0  0  0  0999 V2000
  214.4177  185.6632  258.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1331  185.8004  256.6257 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3318  187.3230  256.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8428  187.5558  254.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4290  186.9954  253.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6923  186.0842  252.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1747  185.3497  251.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2849  185.6539  253.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8318  187.3684  253.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9320  184.8633  255.6873 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4488  185.0639  255.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8842  184.3239  254.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0761  182.9756  254.5960 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.7921  183.3111  255.5212 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.5025  182.8896  254.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6674  181.4681  254.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5184  181.5976  252.8740 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.6807  182.6325  253.0937 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.9285  182.3508  252.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5695  182.0824  250.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9100  180.7017  250.7298 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.4987  180.6594  251.5391 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.6421  181.8772  251.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5954  179.3542  251.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5659  178.6827  249.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9429  178.8547  249.2933 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9004  180.1358  249.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2349  179.6439  248.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4441  181.2753  248.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7213  178.1874  250.3803 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7391  176.8542  250.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1365  176.0202  249.9825 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6183  176.5578  251.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2681  175.3928  252.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3788  174.1883  251.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8992  173.0049  251.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2093  171.8990  251.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9533  171.9422  249.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4815  173.1579  249.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1735  174.2382  249.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2970  170.9208  248.7314 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6990  170.8381  251.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7259  170.0378  251.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8841  177.6541  252.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7367  182.6189  256.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0458  181.9463  255.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4800  170.4774  248.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.9237  171.2378  247.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
 10  2  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  1  0  0  0
 14 15  1  0  0  0  0
 14 45  1  1  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 27  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 44  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 42  1  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  2  0  0  0  0
 41 47  1  0  0  0  0
 41 48  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <CHROM.1>
-171.00665086,-60.12061712,-66.21295656,111.95480169,72.77373330,3.09622432
-152.96674965,-168.16040973,-143.43997133,113.88813634,215.74228604,180.16971623
252.36473205,-2.27759667,1.20813549,-2.12768229

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443523/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.82717

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.334783

>  <SCORE.INTRA>
-12.5728

>  <SCORE.INTRA.DIHEDRAL>
-17.0514

>  <SCORE.INTRA.DIHEDRAL.0>
24.6144

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.04712

>  <SCORE.INTRA.VDW.0>
0.416996

>  <SCORE.INTRA.norm>
-0.273322

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.0614602

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  193.4469  219.2845  263.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3449  219.2562  262.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9679  218.0058  261.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8862  217.9297  260.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9700  218.4174  259.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9931  218.3196  258.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9373  217.7093  257.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8571  217.2159  258.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8026  217.3332  259.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6038  216.7527  260.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
179.78614953,93.38790632,193.55395068,218.03733986,260.22964879,-1.65142445
-0.52322733,-1.87241210

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443524/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.00927

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.390729

>  <SCORE.INTRA.DIHEDRAL>
-0.16241

>  <SCORE.INTRA.DIHEDRAL.0>
0.822628

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.309524

>  <SCORE.INTRA.VDW.0>
-0.316736

>  <SCORE.INTRA.norm>
-0.0390729

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.700927

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025537

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 50  0  0  0  0  0  0  0  0999 V2000
  198.1612  204.5688  247.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5057  204.4496  247.3867 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3346  205.5263  247.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0992  206.7841  246.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9239  207.8820  247.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9835  207.7402  248.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2690  206.4786  248.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4616  205.3769  248.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8666  204.0957  248.9846 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1367  202.9734  248.6633 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7457  202.0257  249.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7842  202.3936  250.0834 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8430  203.7544  249.8189 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.7498  204.6160  250.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1730  205.6325  251.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9753  206.5776  252.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3624  206.4081  252.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9307  205.3164  251.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1365  204.4292  250.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8201  203.3862  250.0291 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6017  203.1298  248.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2619  207.2596  252.8415 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.7566  208.0305  253.6672 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4763  207.0986  252.6900 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.1534  208.0873  252.4884 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.0300  208.0166  253.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9035  209.1551  251.8592 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6974  208.0209  251.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2072  200.6512  249.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7814  199.7622  249.9382 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0857  200.4835  248.5235 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4677  199.2547  248.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3987  199.2971  247.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7831  198.1177  246.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2079  196.8888  247.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2390  196.8382  248.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8682  198.0184  248.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0114  209.1035  248.6074 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4446  209.7316  247.3922 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3578  209.7752  249.6968 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3397  208.4038  249.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5889  209.1703  246.6859 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.5399  209.2213  245.4534 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3066  210.0751  247.4744 O   0  5  0  0  0  0  0  0  0  0  0  0
  201.6179  208.7547  251.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7340  201.2908  248.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5014  208.7851  250.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 46  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  2  0  0  0  0
 38 40  2  0  0  0  0
 38 41  1  0  0  0  0
 41 47  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  CHG  5  13   1  22   1  24  -1  42   1  44  -1
M  END
>  <CHROM.1>
-60.98801539,-50.90096709,4.10396309,178.76701167,50.82829508,108.40105537
55.44089883,-115.83389112,-175.49095003,-126.82526609,202.27822284,205.22627822
249.50751668,2.16461646,0.75900538,2.99002518

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443525/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27661

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.304545

>  <SCORE.INTRA>
-7.12339

>  <SCORE.INTRA.DIHEDRAL>
5.02194

>  <SCORE.INTRA.DIHEDRAL.0>
15.4863

>  <SCORE.INTRA.POLAR>
-1.89746

>  <SCORE.INTRA.POLAR.0>
-0.0316532

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.18301

>  <SCORE.INTRA.VDW.0>
-3.24343

>  <SCORE.INTRA.norm>
-0.161895

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.14265

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000880

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  214.1699  186.9571  246.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6642  187.4293  247.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8946  188.6270  248.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4580  189.8114  248.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6964  191.0061  248.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
-120.66612345,214.16963258,188.75933522,247.74695864,1.39946873,0.90774455
-2.49438452

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443526/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39962

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-0.000379721

>  <SCORE.INTRA.DIHEDRAL>
0.000897683

>  <SCORE.INTRA.DIHEDRAL.0>
1.09395e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000828562

>  <SCORE.INTRA.VDW.0>
-0.140565

>  <SCORE.INTRA.norm>
-7.59442e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.27992

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018036

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  203.8371  201.2008  245.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2129  201.3795  247.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7499  201.2569  246.8201 N   0  0  1  0  0  0  0  0  0  0  0  0
  201.0142  202.5106  247.0668 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8323  203.0881  245.7494 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9592  202.0705  244.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6590  202.1161  243.1200 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.5508  200.9447  245.4234 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7936  200.3890  244.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8283  204.4918  245.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9260  205.0303  244.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0223  206.4120  244.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0060  207.2749  245.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8743  206.7680  246.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7777  205.3855  246.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1557  208.9701  244.8810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.6385  202.2528  247.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6554  201.4623  247.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3795  201.3144  247.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0661  201.9573  248.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0187  202.7383  249.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2967  202.8875  248.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4860  201.8020  249.4799 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  6  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-59.11997166,166.73456872,200.17981660,203.38058729,246.28648372,-0.81911181
-0.66301970,2.98605030

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443527/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.40329

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-1.99671

>  <SCORE.INTRA.DIHEDRAL>
-5.10223

>  <SCORE.INTRA.DIHEDRAL.0>
6.13119

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.554405

>  <SCORE.INTRA.VDW.0>
-2.15448

>  <SCORE.INTRA.norm>
-0.0868134

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.234926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  211.3812  187.3927  249.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0550  187.6873  250.3641 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6476  189.1249  250.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3400  190.1112  250.2747 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4085  189.2177  249.5138 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0173  186.8436  249.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1623  185.2745  250.1357 P   0  0  0  0  0  0  0  0  0  0  0  0
  209.8838  184.8742  251.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6598  184.7583  250.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7908  184.7183  248.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1766  187.1184  248.3036 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6856  188.4134  247.2670 P   0  0  0  0  0  0  0  0  0  0  0  0
  211.4991  187.8558  246.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1816  187.8161  247.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1947  189.7085  246.2304 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1803  190.1619  249.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1162  185.1086  250.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4385  185.3435  248.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.7740  187.8053  247.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.9078  189.3183  245.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <CHROM.1>
-79.66321232,69.50758281,-54.34870213,64.98218142,178.08421952,29.59133052
-66.91195135,37.39820954,144.91139490,61.95263841,71.51586263,209.84946818
187.30605576,248.92435717,0.64808891,1.21264298,0.20781340

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443528/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.8137

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-8.5863

>  <SCORE.INTRA.DIHEDRAL>
4.45574

>  <SCORE.INTRA.DIHEDRAL.0>
5.59939

>  <SCORE.INTRA.POLAR>
-2.17996

>  <SCORE.INTRA.POLAR.0>
-0.328258

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.4023

>  <SCORE.INTRA.VDW.0>
0.693171

>  <SCORE.INTRA.norm>
-0.57242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.18758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.223490

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  205.6489  199.1228  249.2924 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.6294  199.0674  249.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.5000  199.1892  250.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0557  199.9828  248.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3246  197.9216  248.9389 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2251  198.0619  249.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  1   1   1
M  END
>  <CHROM.1>
-171.16483100,205.99060967,198.55256667,249.14084488,-2.12776924,0.07775526
-2.81486537

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443540/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34298

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
2.7

>  <SCORE.INTRA>
-0.0570214

>  <SCORE.INTRA.DIHEDRAL>
-0.0370323

>  <SCORE.INTRA.DIHEDRAL.0>
0.0765282

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0385053

>  <SCORE.INTRA.VDW.0>
-0.0638238

>  <SCORE.INTRA.norm>
-0.0285107

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
2

>  <SCORE.norm>
2.67149

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.781119

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  186.1260  223.7871  266.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5924  223.3085  265.6097 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7299  221.9166  265.0515 P   0  0  0  0  0  0  0  0  0  0  0  0
  184.7143  222.8741  264.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9133  221.6230  263.9399 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9645  220.7500  264.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8674  220.5247  264.4934 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6179  220.1094  264.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8370  220.6143  265.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2375  221.8769  266.9529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  183.1879  218.8922  264.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3174  218.0302  264.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9293  216.8124  264.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4111  216.4425  263.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2590  217.3034  262.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6447  218.5248  262.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6960  219.5369  261.9928 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  182.0135  214.9286  262.3331 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  180.8674  215.8133  265.2449 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
87.36611844,92.30971436,52.04369060,-5.12371689,150.91403868,183.90559940
219.50619083,264.39676609,0.87265549,0.68929293,0.78115288

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443546/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.82166

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-7.57834

>  <SCORE.INTRA.DIHEDRAL>
-17.5713

>  <SCORE.INTRA.DIHEDRAL.0>
21.7741

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.20734

>  <SCORE.INTRA.VDW.0>
-2.02339

>  <SCORE.INTRA.norm>
-0.39886

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.148509

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000602

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  191.1748  218.4026  257.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8514  217.2877  256.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0698  216.8725  255.8107 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2436  215.7972  255.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7837  215.7847  254.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3762  216.8964  253.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1383  217.5830  254.6713 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1579  217.3289  252.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3612  216.7175  251.6812 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8485  218.4332  251.8869 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5838  218.8459  250.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3438  220.3622  250.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4819  221.0695  251.0138 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7450  220.6954  252.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9579  219.1711  252.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0358  222.2007  250.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0078  222.9471  251.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6223  224.0659  250.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2768  224.4692  249.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3208  223.7508  248.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7120  222.6324  249.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6278  214.5069  253.7123 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-98.76080128,1.98525929,172.01729191,190.73009133,218.43970147,252.74699172
-2.18870376,-0.98020987,-1.07028769

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443547/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.53844

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.86156

>  <SCORE.INTRA.DIHEDRAL>
-6.10805

>  <SCORE.INTRA.DIHEDRAL.0>
8.81911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.19247

>  <SCORE.INTRA.VDW.0>
-0.489117

>  <SCORE.INTRA.norm>
-0.0846162

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.297202

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004586

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  199.8087  215.1465  246.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5742  213.6773  246.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8090  212.9711  245.4725 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.9540  213.5768  245.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5059  212.8852  244.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5464  212.5593  243.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2064  211.6687  245.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1115  210.5304  246.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9396  210.0061  245.4249 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6991  209.0688  246.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3593  209.0436  247.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3387  209.9326  247.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1358  208.1476  248.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8775  208.0651  249.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6279  207.2152  250.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6465  206.4323  249.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9187  206.5048  248.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1717  207.3571  247.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-53.84254838,-162.59319861,-68.36437915,-58.99241114,178.98364613,200.26294566
210.19744723,246.89707214,-3.03359956,1.19194032,-2.28143117

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443548/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.44671

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-0.953291

>  <SCORE.INTRA.DIHEDRAL>
0.29722

>  <SCORE.INTRA.DIHEDRAL.0>
0.726408

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.1019

>  <SCORE.INTRA.VDW.0>
1.78992

>  <SCORE.INTRA.norm>
-0.056076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.555689

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  210.8921  184.7152  244.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7423  185.3042  243.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1631  185.6194  243.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9945  186.3141  242.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2986  187.4984  242.1078 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9599  187.2286  241.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0817  186.5683  242.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9637  188.7112  242.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1257  188.8708  242.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1903  189.8997  241.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5358  190.7015  242.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6934  189.8302  243.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4804  189.7023  243.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4049  189.0310  244.4751 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7112  188.2782  245.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3714  188.1177  245.2977 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.8507  188.6086  244.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.7113  187.3475  246.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3781  186.7332  247.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7354  186.8824  247.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4090  187.6391  246.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4447  186.0188  247.9637 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1787  186.1359  247.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1351  185.6112  247.6980 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3647  186.9782  246.2319 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3233  187.2714  245.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6774  185.2273  249.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4030  189.1759  244.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 25  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  1  16   1
M  END
>  <CHROM.1>
94.20496767,-53.43828331,-100.31360247,8.65916071,211.21404028,187.39073830
244.67006609,-2.50748685,0.67323595,-0.42208262

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443549/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.21044

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-8.18956

>  <SCORE.INTRA.DIHEDRAL>
-3.39704

>  <SCORE.INTRA.DIHEDRAL.0>
7.26962

>  <SCORE.INTRA.POLAR>
-0.434816

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.01267

>  <SCORE.INTRA.VDW.0>
0.263078

>  <SCORE.INTRA.norm>
-0.314983

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0465553

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000061

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  198.3151  202.4067  247.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8122  202.7315  247.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1959  203.1264  246.1809 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3116  204.1135  245.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8095  203.8093  245.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4257  203.4825  247.1697 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4544  204.6840  248.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0266  204.4553  249.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6706  204.4518  249.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2856  204.2746  251.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2501  204.0942  252.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6006  204.0873  251.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9880  204.2679  250.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3429  202.6921  245.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4921  202.9284  244.2921 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3498  201.9329  246.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1631  200.7619  246.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0810  199.9809  247.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0917  198.9969  248.2813 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4697  198.3063  248.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6159  199.3296  248.3918 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.3845  200.4429  247.4888 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3430  201.3414  247.2202 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7427  202.1638  246.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9667  198.6667  248.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9865  199.5558  248.3557 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.2468  197.6284  248.9920 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.0850  198.2266  246.9004 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.7085  199.5904  249.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8662  198.8726  250.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5245  199.3769  251.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0003  200.6197  252.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8021  201.3644  251.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1461  200.8590  250.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1602  200.2593  246.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-60.38951170,-83.37483580,55.86500558,138.79670747,-176.51402019,200.77238916
201.48229151,248.36947495,-3.05873343,-0.60545065,2.06291281

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443550/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.80387

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.305882

>  <SCORE.INTRA>
-3.59613

>  <SCORE.INTRA.DIHEDRAL>
0.260885

>  <SCORE.INTRA.DIHEDRAL.0>
8.94685

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.72658

>  <SCORE.INTRA.VDW.0>
-1.06094

>  <SCORE.INTRA.norm>
-0.105769

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.200114

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001859

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  201.9238  216.7531  254.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4061  217.5917  253.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0099  217.8046  253.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3859  218.5840  252.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2960  217.7570  251.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6798  218.4238  250.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4923  219.6213  249.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5960  217.3668  249.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0572  218.9257  253.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0376  219.7958  254.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5948  220.1023  254.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-179.65460040,71.47359112,-178.82769014,65.65170864,63.54549565,-179.89106952
199.22123310,218.42791380,252.67460317,-1.34091739,0.57653466,-1.67575427

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443551/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.0028

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
0.354195

>  <SCORE.INTRA.DIHEDRAL.0>
0.508418

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.57431

>  <SCORE.INTRA.VDW.0>
0.428974

>  <SCORE.INTRA.norm>
-0.0361102

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
1.00025

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048579

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  195.8523  216.4619  253.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5077  215.0213  253.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5984  214.4674  254.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7187  215.3211  254.3581 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2818  216.4013  253.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1944  217.5741  253.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8035  218.6039  253.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4456  217.3088  253.9473 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4831  216.3992  254.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-1.00637972,0.06602810,197.33737122,216.39492947,253.80408386,2.27018384
0.24151078,2.74863128

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443552/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39882

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.00117979

>  <SCORE.INTRA.DIHEDRAL>
-0.00270667

>  <SCORE.INTRA.DIHEDRAL.0>
0.00679949

>  <SCORE.INTRA.POLAR>
2.18954e-05

>  <SCORE.INTRA.POLAR.0>
-0.340721

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
9.91014e-05

>  <SCORE.INTRA.VDW.0>
0.586822

>  <SCORE.INTRA.norm>
-0.000147474

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.799853

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.081049

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  184.6406  215.2436  261.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0941  215.5114  261.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4801  215.0838  260.1214 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.6942  215.8267  259.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0450  215.1849  258.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7726  217.2202  258.9777 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5574  218.0426  259.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8185  219.5476  259.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8873  220.1101  258.3465 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1053  219.2918  258.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9040  217.7908  258.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4832  220.2007  256.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9022  215.2947  259.8838 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6767  214.3913  259.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2174  213.3690  258.6953 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1182  214.7437  259.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9575  213.8968  258.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3087  214.2006  258.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8249  215.3592  258.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9929  216.2380  259.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6283  215.9512  259.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8099  216.8616  260.2684 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8366  216.9301  261.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7074  216.4298  262.3682 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7550  217.7167  262.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6730  217.7226  263.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6136  218.3697  264.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6266  219.0005  263.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6992  218.9912  262.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7635  218.3518  261.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2395  216.2334  260.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6254  217.7540  259.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
61.95292542,-123.43972731,139.33209696,-125.24950293,-176.85470353,100.77723994
14.41341549,174.68995422,187.88418038,216.76832775,260.06044385,-2.83673036
0.48726909,-2.01823285

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443553/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.71129

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-10.6887

>  <SCORE.INTRA.DIHEDRAL>
-6.68664

>  <SCORE.INTRA.DIHEDRAL.0>
10.0368

>  <SCORE.INTRA.POLAR>
-0.639929

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00985873

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.21892

>  <SCORE.INTRA.VDW.0>
-1.07203

>  <SCORE.INTRA.norm>
-0.35629

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0903764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000436

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  187.4401  212.8573  254.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7691  212.8009  255.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3066  212.3715  255.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5661  211.8686  256.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0883  211.9601  258.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9019  211.0842  259.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4100  211.2037  260.7640 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8666  210.0224  261.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8934  212.5445  261.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0625  213.7284  260.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6300  215.0408  261.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9076  216.2774  260.7941 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.5243  216.4588  261.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7741  217.5477  260.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0795  217.4378  260.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9008  217.3518  258.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6617  215.9017  258.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5084  215.4048  257.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2210  216.1153  257.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1931  215.4807  258.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8535  214.9877  258.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1407  214.5650  257.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
170.05821259,-177.75221795,179.44450117,160.65996185,77.10089356,-176.07484838
174.71254826,74.14878309,63.50086782,63.65778872,-85.29590070,112.82075344
-122.10298522,-61.46509312,187.37654984,214.19898161,259.00438997,2.37332560
1.42701015,2.83860847

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443554/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.3343

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.87619

>  <SCORE.INTRA>
-4.06566

>  <SCORE.INTRA.DIHEDRAL>
3.00962

>  <SCORE.INTRA.DIHEDRAL.0>
3.69131

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.57047

>  <SCORE.INTRA.VDW.0>
3.16335

>  <SCORE.INTRA.norm>
-0.193603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.682588

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002733

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  197.0095  213.6803  254.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8000  213.0242  254.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1466  213.3050  252.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7156  214.2175  252.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9172  214.8847  252.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5442  214.6356  253.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8200  215.1652  253.7730 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8561  214.2354  250.9706 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8355  213.3664  251.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9787  212.7928  252.4088 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5244  214.4606  253.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8290  215.9191  254.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9618  214.7877  250.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
48.42566326,195.99778388,213.95647475,252.76191207,0.26407432,0.52464069
2.10304546

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443555/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.05773

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.342273

>  <SCORE.INTRA.DIHEDRAL>
-0.206968

>  <SCORE.INTRA.DIHEDRAL.0>
0.612875

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.238789

>  <SCORE.INTRA.VDW.0>
-0.0142196

>  <SCORE.INTRA.norm>
-0.0342273

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.605773

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000606

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  218.7700  196.8267  248.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9343  195.6601  249.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7511  195.7668  250.8406 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3428  194.5143  248.9719 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5572  193.3439  248.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5804  193.3331  247.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8117  192.1935  247.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9772  191.0686  248.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9063  191.0847  249.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7077  192.2191  249.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5740  192.2666  250.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5509  191.4438  251.8430 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3860  193.3495  250.9036 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1866  193.5272  252.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4442  193.7873  253.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0374  193.5746  254.4387 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1288  194.1945  253.2566 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3204  194.2497  254.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6316  193.8847  255.5823 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5657  194.0637  256.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4059  194.5756  255.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7164  194.8027  254.1572 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.2392  194.8125  256.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2639  194.4856  257.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4250  193.9627  258.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5746  193.7580  257.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0899  194.6495  258.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1139  194.3519  260.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0166  195.1488  258.2391 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8698  195.3257  259.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3399  194.4112  248.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.7703  194.5383  252.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-116.19564910,82.82155593,164.78220365,175.85715033,-63.32902319,159.87367071
-3.86734968,179.23723453,-179.82176461,217.59790566,193.94197121,253.41617212
1.12970904,0.10510017,-1.66444815

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443556/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20958

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48

>  <SCORE.INTRA>
-8.19042

>  <SCORE.INTRA.DIHEDRAL>
-8.54457

>  <SCORE.INTRA.DIHEDRAL.0>
11.759

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.518138

>  <SCORE.INTRA.VDW.0>
0.377957

>  <SCORE.INTRA.norm>
-0.273014

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.206986

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  193.1379  225.8777  257.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3604  226.4237  255.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6170  227.3550  255.4429 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2058  225.7193  254.7045 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.6479  226.0914  255.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4094  226.4769  253.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6776  225.7901  252.7892 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.1721  225.8382  253.1178 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.6639  224.6370  252.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1139  224.6990  250.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6108  225.1767  250.3504 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.9802  226.2672  251.3836 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.4371  226.6678  251.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6968  227.2610  249.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1063  226.8112  248.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0565  225.6645  248.8423 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7936  224.5113  248.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4117  224.9932  246.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4705  226.0604  246.9540 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.8015  227.2766  247.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1531  226.4167  245.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8073  226.0223  247.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4035  227.0825  252.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6149  225.6352  245.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  6  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  6  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
-79.43646683,-62.13565711,195.68272127,226.05706452,251.17087787,-2.07551195
-0.39780467,-1.80762135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443557/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.20844

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-4.19156

>  <SCORE.INTRA.DIHEDRAL>
-6.28677

>  <SCORE.INTRA.DIHEDRAL.0>
7.20086

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.04818

>  <SCORE.INTRA.VDW.0>
1.17404

>  <SCORE.INTRA.norm>
-0.182242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0960191

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001747

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  177.8867  213.2885  255.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.7076  213.5297  256.3064 C   0  0  1  0  0  0  0  0  0  0  0  0
  179.9443  212.5901  256.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0273  212.7385  255.2914 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.5641  214.1007  255.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4170  214.8572  253.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9824  216.1232  254.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4914  216.1013  255.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3003  214.8381  255.9435 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.7972  214.4237  257.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0511  215.4277  258.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5674  215.1285  259.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8658  213.8142  259.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6125  212.8124  258.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0499  213.0767  257.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8663  211.8311  256.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1360  211.8176  255.4392 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.0736  214.9497  256.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0928  216.0752  255.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5471  217.3136  256.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9754  217.4485  257.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9466  216.3455  258.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4875  215.1221  258.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7778  211.9333  254.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  4  3  1  1  0  0  0
  4 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
63.51596344,-20.40136823,51.00168642,181.26264003,214.47621341,256.66272807
-3.12338615,-0.61984760,0.62903265

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443558/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.48883

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-0.911168

>  <SCORE.INTRA.DIHEDRAL>
-0.274079

>  <SCORE.INTRA.DIHEDRAL.0>
2.27531

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.774128

>  <SCORE.INTRA.VDW.0>
-3.62817

>  <SCORE.INTRA.norm>
-0.039616

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.325601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001260

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  214.1743  194.9209  253.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2849  194.5780  252.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7666  194.2936  251.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1400  194.3244  250.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0184  194.6930  251.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5397  194.9866  253.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6275  194.0493  249.5996 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9600  193.9314  249.4327 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3853  193.6470  248.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8628  193.3322  248.0711 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.5674  194.7010  248.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5406  195.3048  249.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4508  192.4988  249.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9895  191.1539  249.0644 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.8877  190.1338  249.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8698  190.5639  250.4793 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5549  189.6057  251.1631 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9507  189.1535  252.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5884  187.8032  252.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9293  187.3518  253.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5985  188.2466  254.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9119  189.5935  254.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5663  190.0419  253.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6451  191.1392  249.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5022  190.8232  248.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4347  190.8465  249.7113 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9047  191.2249  250.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2605  191.4279  252.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9975  191.8596  253.2335 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3256  192.0296  253.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0609  191.8120  251.9418 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2770  191.4274  250.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9016  191.2160  252.3823 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9494  193.9406  248.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.6139  195.3094  249.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.5579  189.7545  251.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3318  191.4460  251.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.5881  191.5314  253.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 32  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 37  1  0  0  0  0
 33 38  1  0  0  0  0
M  END
>  <CHROM.1>
-171.77789247,178.37039132,-78.56206542,70.02486759,67.97010829,-52.52750068
160.04995950,11.71928990,113.47493804,-80.08988936,119.04245433,-34.65604855
217.64096810,191.93897271,251.14995745,2.53479071,0.52079875,-0.87436758

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443559/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.92488

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.49697

>  <SCORE.INTRA>
-9.47512

>  <SCORE.INTRA.DIHEDRAL>
-2.9256

>  <SCORE.INTRA.DIHEDRAL.0>
12.0987

>  <SCORE.INTRA.POLAR>
-0.674812

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.71796

>  <SCORE.INTRA.VDW.0>
-2.95169

>  <SCORE.INTRA.norm>
-0.287125

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.209845

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002980

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 51  0  0  0  0  0  0  0  0999 V2000
  209.3381  194.1596  236.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0618  193.3541  237.2798 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1918  192.4471  236.7467 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.4150  193.3276  236.4179 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.8268  194.1527  237.6742 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.6488  195.0613  238.0749 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.5034  194.2191  238.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8417  195.8855  239.2304 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8193  196.7005  239.8019 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6803  196.0789  240.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2161  195.4070  242.0574 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.3219  194.0924  243.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0253  194.2685  244.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9342  192.9071  245.2048 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.0171  193.3801  244.1854 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.6163  195.2271  243.1804 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3850  196.4931  242.0063 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.4771  197.4471  240.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8084  197.8157  242.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
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  214.5355  196.8826  243.8118 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1246  199.2445  244.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6697  196.5020  244.2321 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7902  191.8969  243.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2494  190.5623  244.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6073  190.8813  243.6984 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6659  191.6089  244.4385 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4970  191.2774  242.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5350  191.6505  241.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6304  192.3817  242.4685 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2771  193.7284  242.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1556  194.4264  241.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6613  195.2677  241.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3501  195.9785  240.1406 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8512  195.3199  242.3684 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4483  194.5082  243.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1828  190.8680  245.5539 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1752  189.2951  243.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2292  193.2791  238.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4835  192.5219  235.8988 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5286  193.3112  235.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7350  191.6460  235.6483 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7401  196.7103  244.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9668  191.3519  245.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4796  193.8334  239.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.0110  191.0661  235.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  1  6  0  0  0
  4  5  1  0  0  0  0
  4 40  1  1  0  0  0
  5  6  1  0  0  0  0
  5 39  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  6  0  0  0
 16 17  1  0  0  0  0
 16 23  1  1  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 38  1  6  0  0  0
 27 28  1  0  0  0  0
 27 37  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 44  1  0  0  0  0
 39 45  1  0  0  0  0
 40 41  1  0  0  0  0
 42 46  1  0  0  0  0
M  END
>  <CHROM.1>
-61.22882884,168.55766899,179.88374646,-174.65720508,73.76539668,41.01992466
70.50265138,0.54266759,-74.24405201,-156.01975124,211.43464386,194.13803547
241.23186849,2.54115940,1.56232742,-2.60487963

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443560/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.27047

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.271429

>  <SCORE.INTRA>
-19.6705

>  <SCORE.INTRA.DIHEDRAL>
-5.52008

>  <SCORE.INTRA.DIHEDRAL.0>
13.9775

>  <SCORE.INTRA.POLAR>
0.00604806

>  <SCORE.INTRA.POLAR.0>
-0.00604806

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-16.931

>  <SCORE.INTRA.VDW.0>
148.029

>  <SCORE.INTRA.norm>
-0.468344

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
-0.196916

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005242

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  222.7524  176.3726  256.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9390  177.7574  257.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3476  178.9210  256.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5612  180.1316  257.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0749  181.3464  257.2873 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.6329  182.4063  258.4398 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.4988  181.3804  259.4107 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3970  180.1584  258.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9906  178.9864  259.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7372  177.8187  258.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5364  179.0364  255.7223 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5841  178.3181  254.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4214  177.4770  254.2363 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4910  178.7081  253.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9691  179.7884  252.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3761  180.9171  253.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6750  181.1997  253.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9575  182.3818  254.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9121  183.2806  254.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6206  183.0123  254.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3581  181.8374  253.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1663  184.7290  255.7246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.3570  182.6325  255.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9981  179.8991  255.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-33.83752352,87.76803246,-56.90341194,91.65413480,222.32049066,180.72491888
256.04038840,1.12128395,1.19896876,-3.12960997

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443561/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35612

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-2.04388

>  <SCORE.INTRA.DIHEDRAL>
5.69724

>  <SCORE.INTRA.DIHEDRAL.0>
2.83866

>  <SCORE.INTRA.POLAR>
0.0248439

>  <SCORE.INTRA.POLAR.0>
-0.0664138

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.97697

>  <SCORE.INTRA.VDW.0>
1.32364

>  <SCORE.INTRA.norm>
-0.0888642

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.319831

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  194.6782  213.7590  260.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7399  212.7427  260.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9932  212.7860  259.2170 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4866  213.7875  258.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5012  214.4093  259.0895 N   0  5  0  0  0  0  0  0  0  0  0  0
  193.4331  211.8094  261.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0045  211.8875  262.0256 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.6014  213.3268  262.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7292  213.5152  263.7746 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4064  214.1864  261.6139 O   0  5  0  0  0  0  0  0  0  0  0  0
  191.0210  211.5652  260.9025 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2503  210.5835  260.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4082  212.0590  260.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  2   5  -1  10  -1
M  END
>  <CHROM.1>
119.65274667,-57.08629302,-96.65919144,64.48247271,192.72183175,213.06706022
260.92096693,-0.48942411,0.86398576,0.83659127

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443562/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.75479

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-4.64521

>  <SCORE.INTRA.DIHEDRAL>
-2.67206

>  <SCORE.INTRA.DIHEDRAL.0>
3.95565

>  <SCORE.INTRA.POLAR>
-0.946982

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.089439

>  <SCORE.INTRA.VDW.0>
-0.867554

>  <SCORE.INTRA.norm>
-0.422292

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.432254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001780

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  201.2839  205.3783  246.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3489  204.7770  245.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1708  203.2896  244.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0644  202.3397  245.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3330  202.6568  245.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3581  202.9323  246.3632 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7266  200.9166  245.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6568  199.9274  245.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3752  198.5791  245.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1609  198.2083  244.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2244  199.1837  244.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5042  200.5344  244.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  3  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-119.49302067,179.66617076,202.75015679,201.63057227,245.27962916,1.54336942
-0.31497561,0.14635823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443563/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.44617

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-4.95383

>  <SCORE.INTRA.DIHEDRAL>
-12.7647

>  <SCORE.INTRA.DIHEDRAL.0>
12.7744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.42855

>  <SCORE.INTRA.VDW.0>
-0.991191

>  <SCORE.INTRA.norm>
-0.412819

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.203848

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  206.6176  211.7775  258.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6177  211.4892  259.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7905  212.3408  260.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2542  210.2369  259.2383 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9091  209.6566  260.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7919  208.5644  260.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4028  207.9845  261.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1537  208.4898  262.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2997  209.5769  262.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6857  210.1531  261.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3387  209.5079  258.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8966  208.1803  257.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9738  207.4705  256.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5065  208.0745  255.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9630  209.4005  255.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8662  210.1130  256.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5546  210.0673  254.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5058  209.2967  253.3219 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.9194  211.2290  254.1274 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.8658  210.3911  254.6170 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
-165.45007529,-126.84575659,4.35679902,208.87823747,209.77814867,257.94141023
1.64035975,-1.07143309,1.67168511

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443564/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.16632

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.23368

>  <SCORE.INTRA.DIHEDRAL>
-1.8013

>  <SCORE.INTRA.DIHEDRAL.0>
11.7221

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.666971

>  <SCORE.INTRA.VDW.0>
-0.914224

>  <SCORE.INTRA.norm>
-0.011684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.408316

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008693

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  196.4426  200.2345  249.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5074  199.7030  249.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2262  198.2364  250.1204 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.8208  197.6488  249.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3510  196.6544  250.8235 N   0  0  1  0  0  0  0  0  0  0  0  0
  194.4275  195.6492  251.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7546  196.2657  251.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5821  197.7861  251.5657 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.4465  197.9895  252.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0978  197.4096  252.0953 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3141  196.7233  253.2989 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.8786  195.4186  253.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3699  194.2099  253.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8738  193.0156  253.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8445  192.9260  254.7646 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3703  194.0620  255.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3872  193.9309  256.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0363  195.0342  256.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6607  196.3052  256.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6333  196.4642  255.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9473  195.3533  254.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0903  197.6459  254.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5850  197.1803  255.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 22  1  1  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-121.02648616,57.09937315,-94.76376566,178.05459019,194.25730751,196.34489076
252.99058254,-1.40731245,0.63541951,2.14665613

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443565/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.20919

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-4.19081

>  <SCORE.INTRA.DIHEDRAL>
-5.67785

>  <SCORE.INTRA.DIHEDRAL.0>
7.2769

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.35188

>  <SCORE.INTRA.VDW.0>
-1.82974

>  <SCORE.INTRA.norm>
-0.190491

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.191327

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000196

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  207.7935  205.0497  267.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7970  205.3925  268.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5979  204.6821  268.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3880  203.6240  267.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3995  203.2803  266.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5974  203.9915  266.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0878  202.8691  267.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0577  203.7089  266.9585 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2733  204.1155  265.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5605  203.2503  264.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8420  203.7629  263.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8075  205.1448  263.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4617  206.0113  264.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1942  205.4903  265.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1193  205.5572  261.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4097  204.6667  260.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1027  206.9030  261.3972 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3077  207.4207  260.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3860  208.8102  259.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6303  209.3934  258.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7839  208.5844  257.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6721  207.1942  257.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4263  206.6150  258.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8055  206.3331  256.5179 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.0411  206.8832  255.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6682  205.1105  256.6668 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.2476  209.6029  261.0151 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.0799  207.5902  262.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
>  <CHROM.1>
71.18468065,60.52059049,52.30075802,-1.81504706,-174.22332960,204.66710756
205.72480271,262.55996834,-1.33665719,-1.29335883,-1.00789029

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443566/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.44961

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-1.95039

>  <SCORE.INTRA.DIHEDRAL>
-0.23069

>  <SCORE.INTRA.DIHEDRAL.0>
4.05899

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.83504

>  <SCORE.INTRA.VDW.0>
1.47023

>  <SCORE.INTRA.norm>
-0.0722366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.312949

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000195

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  222.0981  187.4954  250.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6485  186.8573  251.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1222  186.5309  251.4213 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.7947  185.5455  250.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6431  184.7582  249.8564 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5194  185.6131  249.8491 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7230  186.7189  249.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1192  187.7661  250.5774 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.3379  187.8318  251.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7885  188.8939  251.6429 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6714  186.5730  249.3268 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.8032  185.8708  252.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0082  186.4637  253.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6529  185.9896  255.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0713  184.5836  255.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0923  183.4815  254.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5433  183.4032  253.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4788  184.5436  253.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1609  184.9591  249.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  1  11  -1
M  END
>  <CHROM.1>
60.57399501,115.06902586,219.39601275,186.04904828,251.85040525,-1.50965212
0.04045187,2.08978325

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443567/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39393

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.00606769

>  <SCORE.INTRA.DIHEDRAL>
0.00380085

>  <SCORE.INTRA.DIHEDRAL.0>
0.0225093

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00796812

>  <SCORE.INTRA.VDW.0>
0.0501633

>  <SCORE.INTRA.norm>
-0.000337094

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.410774

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001995

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  201.1034  192.9268  245.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9921  193.6378  245.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0627  194.1432  246.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2274  193.9329  247.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3436  193.1989  247.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2750  192.7017  247.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2857  194.5670  248.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9403  195.2639  249.5694 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6689  196.3431  249.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7599  196.7697  248.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3206  196.9577  250.2088 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0818  196.8537  251.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1310  195.5599  252.4077 P   0  0  0  0  0  0  0  0  0  0  0  0
  200.5923  195.8606  253.8134 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1408  194.3759  251.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1228  194.3369  253.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0418  197.6119  249.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9426  194.4912  250.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4564  193.8068  252.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
-129.96111585,64.02048605,2.72266598,92.94983510,177.97969930,48.93460788
-173.21640569,200.22377044,194.94039020,249.62938575,-1.82785427,-0.97547255
1.07058935

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443568/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.50501

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-6.89499

>  <SCORE.INTRA.DIHEDRAL>
-6.28572

>  <SCORE.INTRA.DIHEDRAL.0>
11.0929

>  <SCORE.INTRA.POLAR>
-0.95238

>  <SCORE.INTRA.POLAR.0>
-0.0476199

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.514036

>  <SCORE.INTRA.VDW.0>
-0.398015

>  <SCORE.INTRA.norm>
-0.430937

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.219063

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.624104

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 44  0  0  0  0  0  0  0  0999 V2000
  199.8276  197.5330  255.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6977  198.2705  255.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8083  199.1510  255.0247 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.6183  200.2762  254.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2040  198.4103  253.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3176  197.2075  254.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7647  199.7018  255.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7054  200.5931  255.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6646  201.1141  256.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6749  201.9724  255.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6731  202.4909  256.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6576  203.2522  255.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5567  203.5176  254.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5613  203.6382  256.7325 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9417  202.4975  257.5762 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.8860  203.4898  258.7640 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.9428  204.3607  258.0337 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.8806  205.8714  258.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1803  206.4471  259.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1294  207.8319  259.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7796  208.6579  258.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4876  208.0999  257.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5410  206.7137  257.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5767  204.2339  258.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8917  204.1961  259.8773 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1683  204.9241  257.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9955  205.6404  257.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9171  206.3437  256.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9385  205.3109  255.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9147  205.8401  253.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9705  204.8636  252.6100 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.2996  204.1953  252.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9058  203.8058  252.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4553  204.3170  252.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8343  205.6860  251.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8456  204.9049  250.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8112  201.2626  257.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6457  200.1144  257.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3625  198.9415  257.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2564  198.8882  258.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4397  200.0082  259.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7302  201.1832  258.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  0  0  0
 14 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  1  0  0  0
 16 17  1  0  0  0  0
 16 24  1  6  0  0  0
 17 18  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 35  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  CHG  2   3   1  31   1
M  END
>  <CHROM.1>
-64.78098274,60.48033672,-177.52403808,179.50026990,-179.71810618,179.31680634
-178.16386498,1.05897830,-48.94009853,-98.44098868,123.12034115,176.76853556
179.33502023,176.66857662,60.50589738,-177.96806385,178.42335839,-66.56536838
56.35383712,-179.29791860,191.26181353,202.96376967,256.10051739,0.20384712
0.58350994,-1.96123936

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443569/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.9417

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.604762

>  <SCORE.INTRA>
-10.4583

>  <SCORE.INTRA.DIHEDRAL>
-17.6544

>  <SCORE.INTRA.DIHEDRAL.0>
21.2973

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.63109

>  <SCORE.INTRA.VDW.0>
7.11617

>  <SCORE.INTRA.norm>
-0.249007

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.355755

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.414681

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  215.0993  189.9387  250.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3091  188.6683  249.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8440  188.9773  249.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0127  187.7173  249.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5706  188.0050  248.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1077  189.1175  248.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8324  186.8504  248.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4380  186.9798  248.6272 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.7839  185.5993  248.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7634  187.8457  249.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3382  188.9760  249.4616 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7911  187.2870  250.9827 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0035  187.1583  251.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9938  188.0778  251.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1877  187.3886  252.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9667  186.0292  252.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3700  185.5801  252.1358 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.9899  185.0298  252.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1657  185.7307  253.7034 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6226  186.9702  252.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5117  188.0131  252.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8077  186.0949  255.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7933  189.5254  251.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6934  190.0428  251.6555 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9569  190.2229  251.9235 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8689  191.6484  251.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2466  192.2646  251.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0475  186.6516  251.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  1  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-178.66318721,-179.50536842,9.32468286,-178.97027407,174.50696583,111.28500626
67.51805248,54.46204192,12.00587909,179.34065559,-179.28935705,210.71555698
187.92626275,251.11516213,-0.11194084,-0.48859867,-0.54701548

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443586/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.8051

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.607407

>  <SCORE.INTRA>
-11.5949

>  <SCORE.INTRA.DIHEDRAL>
-11.7162

>  <SCORE.INTRA.DIHEDRAL.0>
15.4437

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.73679

>  <SCORE.INTRA.VDW.0>
-1.01446

>  <SCORE.INTRA.norm>
-0.429441

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.177967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000794

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  195.0440  211.7147  259.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6529  211.6694  260.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3328  212.8151  261.5057 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.2207  212.6915  262.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5401  214.2207  260.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6937  214.4961  259.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8593  212.6049  261.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4337  213.6873  262.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1130  214.6137  263.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7313  215.7511  264.3912 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8605  216.1138  265.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6208  216.9590  266.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6482  217.3026  267.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9383  216.8200  267.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2045  216.0009  266.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1804  215.6609  265.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3080  216.9544  263.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1928  217.5019  262.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7861  218.5876  261.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5082  219.1028  261.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6814  218.5074  262.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0434  217.4508  263.6915 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5942  215.2561  265.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2834  215.9860  265.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-66.45109015,59.20173838,-176.72591194,27.44057360,14.74006271,-166.24452506
-58.25322623,-177.43523312,191.95016320,215.42182725,263.29481677,-0.93915698
-0.76918908,1.14204517

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443587/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.31987

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-3.08013

>  <SCORE.INTRA.DIHEDRAL>
-3.8312

>  <SCORE.INTRA.DIHEDRAL.0>
5.46721

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.16453

>  <SCORE.INTRA.VDW.0>
2.87878

>  <SCORE.INTRA.norm>
-0.133919

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.405212

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  199.2467  210.1661  261.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6062  211.4759  261.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7684  211.5876  260.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9518  210.4938  260.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1713  209.5538  261.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0232  210.3941  259.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9299  211.4401  258.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7735  212.5644  258.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7011  212.6448  259.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0291  211.4288  257.2118 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1772  210.3930  256.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0623  209.3141  257.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3403  210.6653  255.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0611  210.3052  254.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0462  211.1897  254.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3288  212.1742  254.7649 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6686  210.7887  252.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4567  209.7206  251.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3899  209.8484  250.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1147  210.9840  251.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6893  211.5583  252.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0753  212.2280  256.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-3.38070162,86.18843466,-74.98219010,2.88448317,-0.32101303,197.06192613
210.88144324,256.70890474,-1.33762316,-0.36162152,-1.51417262

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443588/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.71886

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-1.68114

>  <SCORE.INTRA.DIHEDRAL>
-0.622916

>  <SCORE.INTRA.DIHEDRAL.0>
3.08838

>  <SCORE.INTRA.POLAR>
-0.475647

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.247516

>  <SCORE.INTRA.VDW.0>
0.097914

>  <SCORE.INTRA.norm>
-0.0800543

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.415184

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  208.8975  197.6674  247.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7276  196.8360  246.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4232  197.2022  244.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2230  196.3894  243.6471 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7230  195.1107  243.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4049  194.3877  242.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6320  194.8855  241.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1759  196.0717  242.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4274  196.8804  243.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9655  198.0196  243.4468 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4595  196.4600  241.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9656  195.7771  240.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0227  197.6191  241.8499 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2497  198.1859  241.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0142  199.1454  240.1625 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.1553  200.3391  240.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4563  200.6811  239.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2385  199.3198  238.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2989  198.4731  239.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8802  193.0531  241.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4945  192.3807  241.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6961  192.6549  242.5288 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1332  191.4292  242.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9896  190.9987  242.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3142  191.8122  243.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8222  192.9974  244.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0948  193.4804  243.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5575  194.6317  243.8268 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4182  198.4969  244.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4736  198.1673  242.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5 28  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-179.65748692,85.47996113,5.09329242,89.73162645,61.18205741,211.01371851
195.89533262,242.32178709,2.85443599,-0.79021851,-2.45385586

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443589/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.39059

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-1.00941

>  <SCORE.INTRA.DIHEDRAL>
0.055798

>  <SCORE.INTRA.DIHEDRAL.0>
3.29716

>  <SCORE.INTRA.POLAR>
-0.0152357

>  <SCORE.INTRA.POLAR.0>
-0.759251

>  <SCORE.INTRA.REPUL>
-0.0737307

>  <SCORE.INTRA.REPUL.0>
0.0737307

>  <SCORE.INTRA.VDW>
-0.616857

>  <SCORE.INTRA.VDW.0>
-1.72602

>  <SCORE.INTRA.norm>
-0.0360505

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.335378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004721

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  196.5996  190.7894  244.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3324  192.0032  244.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6961  193.0744  243.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3891  193.3026  242.2555 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.7595  191.9538  246.3261 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.4183  189.6290  244.2652 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2067  189.7776  243.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
116.08462494,-60.81128094,197.44159478,192.01110821,244.26250636,1.34813539
1.36240695,2.31896300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443590/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.65964

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-0.808816

>  <SCORE.INTRA.DIHEDRAL.0>
1.07068

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.335952

>  <SCORE.INTRA.VDW.0>
-0.169919

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
0.943273

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.081703

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  206.5387  187.8648  248.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5930  187.0407  249.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8335  185.5488  248.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8250  187.3925  250.9085 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.2462  189.1469  251.0727 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7667  189.4518  250.7430 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.8589  188.7611  251.7746 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2492  189.2074  253.1950 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7580  189.0477  253.4523 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5316  189.6551  252.3958 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1687  189.7035  254.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0259  191.1234  254.7655 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8328  190.5808  253.3448 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4829  189.1067  251.5485 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4032  189.1221  249.4028 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1237  191.3417  254.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8831  190.6382  253.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2624  188.7741  250.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.9577  189.6502  248.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  6  0  0  0
  7  8  1  0  0  0  0
  7 14  1  6  0  0  0
  8  9  1  0  0  0  0
  8 13  1  6  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
67.08002025,62.57002220,-60.49063022,61.85685961,54.50983488,-66.56333807
52.55544157,204.53468801,188.78901961,251.53348303,-1.24329107,-0.29248873
1.08018713

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443591/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.103613

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-8.29639

>  <SCORE.INTRA.DIHEDRAL>
-10.3824

>  <SCORE.INTRA.DIHEDRAL.0>
11.2095

>  <SCORE.INTRA.POLAR>
-0.647634

>  <SCORE.INTRA.POLAR.0>
-0.182901

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.903232

>  <SCORE.INTRA.VDW.0>
-0.426896

>  <SCORE.INTRA.norm>
-0.553092

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.00690755

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004560

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  188.8065  214.8904  250.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1261  213.7358  251.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0073  213.8323  253.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3418  212.7148  253.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7832  211.5177  253.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8864  211.4238  252.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5610  212.5234  251.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0827  210.5316  254.3183 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7914  209.4004  253.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2180  209.7943  253.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0766  210.1470  254.2721 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3949  209.7467  252.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7114  210.0430  251.6169 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.6966  209.8472  250.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0269  211.4988  251.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0919  211.8393  252.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9765  212.3727  251.7008 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6099  213.4023  252.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4843  213.1163  253.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1858  214.1255  254.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0009  215.4292  254.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1064  215.7197  253.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4045  214.7128  252.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3934  215.0900  250.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5381  215.0774  253.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2741  212.0462  251.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-167.28340080,69.12300575,67.31797874,-177.65279029,176.59102181,132.28146703
137.72245135,-46.24870322,191.56440539,212.44886281,252.70621363,2.24826408
0.27779218,-0.11298182

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443592/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.88592

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.536

>  <SCORE.INTRA>
-10.5141

>  <SCORE.INTRA.DIHEDRAL>
-6.32902

>  <SCORE.INTRA.DIHEDRAL.0>
10.2989

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.34957

>  <SCORE.INTRA.VDW.0>
0.706669

>  <SCORE.INTRA.norm>
-0.420563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.115437

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  217.2735  196.7617  238.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2068  195.2944  238.9976 N   0  3  1  0  0  0  0  0  0  0  0  0
  217.6095  195.3056  239.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7700  194.8677  239.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6159  193.4247  239.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9897  192.4357  238.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4409  192.0117  238.4684 N   0  3  1  0  0  0  0  0  0  0  0  0
  217.5914  191.6480  237.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.4783  193.1159  238.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0990  194.5055  238.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6753  190.8196  239.4319 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.0301  190.1398  239.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1517  189.0651  238.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3899  188.4411  238.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5137  188.8790  238.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4080  189.9296  239.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1796  190.5722  239.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3765  191.0820  240.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9428  192.1317  241.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6582  192.3149  242.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8064  191.4577  243.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2078  190.4099  242.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4885  190.2065  241.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4666  191.6906  245.3196 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  2 10  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  1  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  2   2   1   7   1
M  END
>  <CHROM.1>
164.72471034,-90.55307634,-54.35567608,217.78811011,191.88267539,240.41428417
0.74050696,0.92221595,-0.97118135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443593/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.77856

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-0.621438

>  <SCORE.INTRA.DIHEDRAL>
0.00461824

>  <SCORE.INTRA.DIHEDRAL.0>
1.85158

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.623748

>  <SCORE.INTRA.VDW.0>
-2.38011

>  <SCORE.INTRA.norm>
-0.0282472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.353571

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004618

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  187.2968  219.9325  256.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1505  218.8852  255.5439 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.0905  219.4956  254.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1136  218.2638  253.7205 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.3040  217.0695  253.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7988  218.8744  252.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3626  217.8681  254.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5763  216.5385  255.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6383  216.2331  256.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4749  217.2504  256.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2685  218.5738  256.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2086  218.8874  255.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5059  216.9486  257.4055 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.9776  218.1211  256.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7931  216.9206  256.8257 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8749  218.8969  257.3518 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7963  218.3960  258.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8334  217.0156  258.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7698  216.4615  259.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6492  217.3145  260.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5789  218.6930  259.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6668  219.2227  259.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6301  216.8161  261.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4300  216.4226  261.8104 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8407  214.9674  259.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9139  214.2817  258.9358 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.0460  214.4506  259.2988 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.6381  214.6078  260.9553 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.3045  217.9121  254.9191 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8490  219.8980  257.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8699  217.2534  254.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  3  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
177.32905614,115.24832137,-179.73680306,38.76212376,126.52293087,-0.05491772
-1.80136280,191.12379893,217.36350718,257.12070833,2.09684861,0.11341587
-1.21238903

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443594/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.0866

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-8.3134

>  <SCORE.INTRA.DIHEDRAL>
-1.69359

>  <SCORE.INTRA.DIHEDRAL.0>
4.53506

>  <SCORE.INTRA.POLAR>
-0.334743

>  <SCORE.INTRA.POLAR.0>
-0.265735

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.32848

>  <SCORE.INTRA.VDW.0>
-0.403959

>  <SCORE.INTRA.norm>
-0.286669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.106434

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005655

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  210.8530  186.1467  251.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8152  185.8569  249.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9306  186.7679  248.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1578  185.9633  247.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3302  186.4707  246.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0870  184.6164  247.8863 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7389  184.5493  249.2563 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1310  183.3416  249.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8721  183.5491  246.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5782  183.1306  246.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3804  182.0469  245.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4761  181.3543  245.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7691  181.7557  245.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9670  182.8616  246.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8995  188.1421  248.7435 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3763  188.9655  249.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8217  188.5900  250.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4119  190.3847  249.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8085  191.0369  248.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1844  190.5694  247.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0138  190.3813  246.1679 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9535  191.5122  246.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4986  192.7498  247.1596 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.1927  192.2703  248.3555 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7124  192.5695  249.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8047  191.4043  250.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3851  193.6339  246.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6931  194.2456  245.3270 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.9280  194.6195  247.0702 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.4049  192.9765  245.7233 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.3617  190.1553  244.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1485  190.9703  243.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7226  190.4422  242.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3566  189.2423  242.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2703  188.7590  244.2773 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.0949  188.5794  247.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8845  191.1449  246.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 35  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
-19.04799158,-88.01305712,5.21050524,-111.79553878,67.54341038,210.60520159
188.53619621,247.08191969,0.90835280,-1.48139858,2.38703321

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443595/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.82084

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297143

>  <SCORE.INTRA>
-5.57916

>  <SCORE.INTRA.DIHEDRAL>
-5.84369

>  <SCORE.INTRA.DIHEDRAL.0>
9.63987

>  <SCORE.INTRA.POLAR>
-0.417838

>  <SCORE.INTRA.POLAR.0>
-0.312344

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.23667

>  <SCORE.INTRA.VDW.0>
-1.52079

>  <SCORE.INTRA.norm>
-0.159405

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.137738

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000156

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  203.1174  223.2994  235.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9525  223.7310  236.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0860  224.4019  237.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8581  224.8676  238.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5629  223.8073  239.4015 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9043  223.1080  240.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4212  222.0724  241.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7923  221.6468  240.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3698  220.7413  241.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4087  222.3959  239.8091 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9129  223.4989  239.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0040  224.3475  238.1986 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.6651  221.3789  242.2012 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.0874  219.9902  242.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9845  219.5930  243.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6333  219.8236  244.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8315  220.9777  243.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2086  221.4265  242.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8928  218.5305  243.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6317  217.8291  242.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9977  218.7585  241.9101 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0600  216.5091  242.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1093  216.1106  243.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6735  217.0007  244.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0035  218.1758  244.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8897  216.6668  244.8882 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9597  217.4662  244.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6439  223.5764  240.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3632  222.1362  239.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7787  220.8269  241.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6455  218.5822  240.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1858  222.8416  241.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 13  7  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
>  <CHROM.1>
179.74292293,-60.34375295,-88.23094642,159.60294832,158.45712537,106.97844467
204.87177017,220.97760828,241.25173738,-1.74124042,-0.27280492,2.33172872

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443596/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30035

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-4.09965

>  <SCORE.INTRA.DIHEDRAL>
-1.28043

>  <SCORE.INTRA.DIHEDRAL.0>
9.36198

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0594321

>  <SCORE.INTRA.VDW.0>
-0.794848

>  <SCORE.INTRA.norm>
-0.146416

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.225013

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  191.2734  215.2733  244.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1335  215.2279  245.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4807  214.8978  245.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9824  214.6000  244.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1291  214.6471  243.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7731  214.9874  243.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9787  215.1342  242.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7753  215.3232  242.4855 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6157  214.9455  241.1273 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4730  215.8607  240.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5573  215.4639  239.2695 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.3241  217.1296  241.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8330  217.5481  242.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9105  217.9740  243.1889 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3569  218.2906  244.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6936  218.2513  244.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6319  217.8979  243.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1960  217.5535  242.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2822  218.6885  246.7405 I   0  0  0  0  0  0  0  0  0  0  0  0
  194.6433  214.8863  247.3060 Br  0  0  0  0  0  0  0  0  0  0  0  0
  191.7377  213.9979  240.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4167  217.5541  240.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-11.13052634,-76.61374363,161.61458743,75.61233759,-120.63410030,193.40946505
216.60590323,244.65668841,2.96097524,-1.23363668,-0.45148671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443598/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.5775

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-6.8225

>  <SCORE.INTRA.DIHEDRAL>
-3.80374

>  <SCORE.INTRA.DIHEDRAL.0>
5.90567

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.92063

>  <SCORE.INTRA.VDW.0>
-1.80748

>  <SCORE.INTRA.norm>
-0.341125

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.178875

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000246

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  195.3426  208.6088  255.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4883  208.6169  256.7854 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3537  209.5216  256.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4281  209.5365  257.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3166  208.6803  257.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4256  208.7229  258.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6368  209.6170  259.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7409  210.4687  259.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6280  210.4311  258.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0291  208.9224  257.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
178.89948349,-92.98141975,192.57725463,209.33378210,257.96758316,0.64076568
-0.40680212,-2.30352698

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443599/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32921

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.07079

>  <SCORE.INTRA.DIHEDRAL>
-0.0348772

>  <SCORE.INTRA.DIHEDRAL.0>
0.713643

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0533514

>  <SCORE.INTRA.VDW.0>
-0.577515

>  <SCORE.INTRA.norm>
-0.00786556

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.814357

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041691

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  188.6760  216.1743  258.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5991  217.2014  257.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3606  216.5205  257.7048 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3038  217.3285  257.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3566  218.5447  257.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0880  216.5144  257.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6851  215.5454  258.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3122  215.1163  259.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1925  213.8331  259.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6870  213.5063  261.0538 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3423  214.4644  261.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5395  215.7486  261.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0133  216.0762  260.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4582  212.7188  259.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1767  216.9204  256.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1081  216.3755  255.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7490  217.8615  255.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.9558  218.2592  254.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7242  219.3122  253.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
179.04196240,2.92016597,50.43477083,-175.13215296,-153.20033164,177.24660205
179.63060587,184.71463793,216.26545219,257.85390090,-1.32796490,-0.40682894
-0.88859395

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443600/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.53416

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-8.86584

>  <SCORE.INTRA.DIHEDRAL>
-18.0369

>  <SCORE.INTRA.DIHEDRAL.0>
26.7967

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.152633

>  <SCORE.INTRA.VDW.0>
0.478291

>  <SCORE.INTRA.norm>
-0.466623

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.186008

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007472

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  225.5183  190.7560  249.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1054  189.4522  248.8789 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.8386  188.9467  247.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6421  188.2536  247.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4800  187.5013  246.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5936  187.2978  245.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8055  187.9611  245.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8065  189.0018  246.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0958  187.3105  245.6396 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.0730  185.9619  245.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8622  185.0536  245.0520 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.6583  185.5688  243.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6891  185.0389  242.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3739  185.6912  241.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0757  186.8326  241.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0414  187.3838  242.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2571  186.7756  243.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7769  187.5717  244.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.7275  188.3322  244.3403 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.2680  185.7167  247.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4144  186.7478  248.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5271  186.6974  249.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4007  185.4549  250.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2800  185.3743  251.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3018  186.5291  252.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4755  187.7654  251.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5881  187.8486  250.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7103  189.1112  250.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.0213  189.2376  249.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-85.60939241,-33.55069654,1.11478271,-3.69432588,51.71680629,227.44605331
187.27465547,246.84176433,1.46808789,-0.87755121,1.36126623

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443601/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.0357

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-12.4357

>  <SCORE.INTRA.DIHEDRAL>
-11.088

>  <SCORE.INTRA.DIHEDRAL.0>
19.153

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.4917

>  <SCORE.INTRA.VDW.0>
0.794283

>  <SCORE.INTRA.norm>
-0.444132

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
-0.108418

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001168

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  196.6730  221.0705  268.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1070  222.2397  267.6914 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3031  223.0178  267.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6360  224.1034  267.5783 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8814  222.4415  265.9817 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0183  222.9365  265.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4384  222.2858  264.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5346  222.7640  263.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2379  223.8877  263.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8566  224.5332  265.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7488  224.0437  265.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5997  225.7316  265.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5480  226.2103  264.7152 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.7772  226.7828  265.8373 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.2546  225.4611  266.7332 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.2196  221.7424  266.6742 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6308  222.7080  265.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7819  223.9062  266.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7348  222.0791  264.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9909  222.8120  263.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1514  222.2035  263.0828 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0109  220.8640  263.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6801  220.0685  264.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5530  220.6847  264.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0851  224.5874  263.7770 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.6015  224.7229  262.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4020  221.6446  265.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-105.16695241,178.49829458,-176.35288940,7.78232588,-2.32637830,179.97770407
79.99676454,197.01608356,223.41546191,265.23371767,-3.04362703,-0.34715190
-0.91875130

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443610/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.69085

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-5.70915

>  <SCORE.INTRA.DIHEDRAL>
-5.82672

>  <SCORE.INTRA.DIHEDRAL.0>
9.64855

>  <SCORE.INTRA.POLAR>
-0.0011743

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.7918

>  <SCORE.INTRA.VDW.0>
1.45839

>  <SCORE.INTRA.norm>
-0.219583

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.25734

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000318

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  222.7484  179.4010  242.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1155  178.6793  244.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8308  179.5626  245.3132 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.6065  179.0525  246.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5508  179.6648  246.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7931  177.8432  246.6656 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0075  179.5632  246.2110 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.1536  179.8946  243.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7247  179.8774  244.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0153  177.5184  247.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.8736  180.2971  246.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.8322  179.8520  245.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
67.27921261,-8.10029510,149.24465904,-113.26828009,168.68938854,179.55803336
222.16130556,179.27037374,245.03933836,0.64510083,-0.18616189,-1.51213235

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443611/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.48621

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.15556

>  <SCORE.INTRA>
-2.91379

>  <SCORE.INTRA.DIHEDRAL>
1.22119

>  <SCORE.INTRA.DIHEDRAL.0>
3.79059

>  <SCORE.INTRA.POLAR>
-0.999394

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.126443

>  <SCORE.INTRA.VDW.0>
-0.355611

>  <SCORE.INTRA.norm>
-0.323754

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.831801

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.071782

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 27  0  0  0  0  0  0  0  0999 V2000
  206.2928  208.1751  254.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8694  208.4144  254.0117 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1268  207.9001  255.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8390  208.6264  255.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1575  209.2628  254.1920 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.9793  209.5782  252.9124 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4467  209.6860  253.3873 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4671  211.0412  254.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0697  211.5707  254.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9907  210.6749  254.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6697  210.9645  254.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3318  212.2661  255.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3522  213.2221  255.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7171  212.8904  254.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0444  212.5947  255.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8223  209.9266  254.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6889  208.8277  254.0405 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2933  208.3804  252.6049 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4465  208.1315  251.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5190  208.9361  251.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5677  207.1408  252.6623 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5244  211.7771  255.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7596  207.3134  253.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6 20  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 22  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  1  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-1.38948187,61.65746005,202.13141609,209.86789265,254.06535876,-0.69863951
-0.11326095,0.46649122

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443612/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.89834

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.257143

>  <SCORE.INTRA>
-0.501656

>  <SCORE.INTRA.DIHEDRAL>
-0.124292

>  <SCORE.INTRA.DIHEDRAL.0>
0.234019

>  <SCORE.INTRA.POLAR>
-0.0374623

>  <SCORE.INTRA.POLAR.0>
-0.0698243

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.312139

>  <SCORE.INTRA.VDW.0>
0.576259

>  <SCORE.INTRA.norm>
-0.0238884

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.233254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000160

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  195.0006  206.3843  250.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7144  206.7786  252.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6964  207.9076  251.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4126  208.3064  253.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4053  209.4197  252.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1587  209.7778  254.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2170  210.8226  253.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9772  211.1631  255.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7659  209.9480  255.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4425  208.9057  255.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2312  207.6906  256.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6280  206.8570  255.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9685  206.1419  254.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3653  205.3083  252.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5360  205.6959  251.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8656  206.0205  250.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0154  206.4340  249.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7301  207.1479  250.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9595  208.4779  250.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6065  208.2085  252.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7015  208.6497  252.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8940  207.4297  253.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2814  207.2382  253.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  3  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.93855885,179.18951294,-177.74587562,176.11885951,-179.27963787,65.92553867
24.41799938,135.46253820,114.96157632,19.60799713,-3.54550554,-0.73979752
63.05139780,-67.33882616,119.56542979,-179.90597101,200.73220636,207.90303844
252.94147445,-2.94394977,-0.24506855,0.89277727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443613/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.6151

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.927273

>  <SCORE.INTRA>
-4.78486

>  <SCORE.INTRA.DIHEDRAL>
0.451515

>  <SCORE.INTRA.DIHEDRAL.0>
1.09682

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.01061

>  <SCORE.INTRA.VDW.0>
-0.937655

>  <SCORE.INTRA.norm>
-0.217493

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.709779

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011920

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  218.3871  187.3493  244.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5964  188.7057  244.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2154  188.6830  242.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4047  190.0426  242.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8203  190.4251  242.1667 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1179  191.4900  242.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2428  192.3113  243.4668 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4129  191.9180  242.8807 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3670  191.2653  242.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3030  190.1369  241.5657 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.6431  191.6807  242.4756 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4901  193.2883  243.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.0343  191.9544  244.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3392  189.8041  241.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.7074  190.2012  240.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.3338  190.9598  242.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.8555  192.3267  243.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.37776394,62.94512573,-117.24602230,-145.88701897,-1.86713324,-1.57321276
157.56956936,220.24996216,190.35914195,242.90569299,-2.50225245,0.23859518
-0.16638766

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443614/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.86845

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.12727

>  <SCORE.INTRA>
-10.5316

>  <SCORE.INTRA.DIHEDRAL>
-20.3879

>  <SCORE.INTRA.DIHEDRAL.0>
21.8434

>  <SCORE.INTRA.POLAR>
-0.0696775

>  <SCORE.INTRA.POLAR.0>
-0.587724

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.100718

>  <SCORE.INTRA.VDW.0>
-0.617148

>  <SCORE.INTRA.norm>
-0.957414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.169859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009584

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  217.3540  181.4586  255.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0740  181.4310  256.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9740  181.2663  255.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7402  181.2181  255.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5108  181.3774  257.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6826  181.1023  254.9069 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7031  182.2876  253.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8461  179.8002  254.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9644  179.3593  253.8813 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6101  179.0519  253.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
179.85555777,4.28700349,-60.33964473,-38.15665170,213.98018798,180.83769951
255.09550065,-0.57871048,0.04003522,-2.29082708

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443615/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.23848

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-3.16152

>  <SCORE.INTRA.DIHEDRAL>
-4.6413

>  <SCORE.INTRA.DIHEDRAL.0>
7.30734

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.840868

>  <SCORE.INTRA.VDW.0>
1.38253

>  <SCORE.INTRA.norm>
-0.316152

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.623848

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.053758

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  195.4018  222.2510  252.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6305  221.3504  252.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9081  222.1858  252.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5435  220.5910  253.9289 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5111  219.3056  253.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5508  218.5098  252.8093 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4882  218.6299  255.0997 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4719  219.2582  256.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4819  220.5892  256.4583 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4053  218.5514  257.3769 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7461  218.5326  252.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4280  218.6101  252.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5146  221.0975  255.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1707  220.9306  257.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3209  218.3579  257.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7471  218.8737  258.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <CHROM.1>
120.38081572,-68.55785749,1.38316960,-0.51398811,92.97762805,196.54654862
220.13679646,254.39636607,-0.48019519,1.53084197,1.06718708

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443616/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.68725

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-6.71275

>  <SCORE.INTRA.DIHEDRAL>
-13.1646

>  <SCORE.INTRA.DIHEDRAL.0>
14.6157

>  <SCORE.INTRA.POLAR>
-0.0533795

>  <SCORE.INTRA.POLAR.0>
-0.608234

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0510551

>  <SCORE.INTRA.VDW.0>
-0.509998

>  <SCORE.INTRA.norm>
-0.671275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.368725

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013738

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  208.8166  198.2292  245.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8270  198.6810  246.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2326  199.9907  246.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1870  200.3541  247.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0911  199.3765  249.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1201  199.5951  249.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3622  200.5555  249.9787 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0869  198.4591  250.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0418  197.0702  250.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7965  195.8586  251.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4194  195.8386  251.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1762  196.0533  252.9859 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5074  195.4297  250.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1520  195.3410  251.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1924  194.8694  250.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1945  195.8757  249.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2880  195.4625  247.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0020  197.0494  249.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1516  197.9086  248.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0773  195.8741  248.4277 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1360  195.6946  247.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2303  194.2915  246.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8389  193.2535  247.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9218  191.8334  247.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3158  196.8562  249.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4895  197.6381  249.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.51838956,62.38626775,-176.11896728,-1.60147774,-49.98313792,-171.26574194
67.14282126,-13.52673926,-51.49799851,-108.85841947,178.85271360,-179.62549637
-61.66167769,178.59477197,177.78025754,-173.81274741,64.13715803,-179.72929036
204.93039724,196.79221374,249.08496249,-0.16017849,-0.77225931,-2.12075122

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443617/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.04747

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.896

>  <SCORE.INTRA>
-19.3525

>  <SCORE.INTRA.DIHEDRAL>
-27.836

>  <SCORE.INTRA.DIHEDRAL.0>
32.0444

>  <SCORE.INTRA.POLAR>
-0.762404

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.84237

>  <SCORE.INTRA.VDW.0>
-0.0752935

>  <SCORE.INTRA.norm>
-0.774101

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.121899

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.072896

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  196.6586  209.3549  269.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3705  208.9403  269.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3273  208.4852  270.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8429  210.0836  268.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6298  211.3006  268.6793 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1482  212.0433  267.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0899  211.2765  266.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4981  210.0138  266.8745 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5873  208.8416  266.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8537  207.6115  266.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6059  206.4390  266.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0080  205.2706  267.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6432  205.2516  267.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8804  206.3965  267.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4768  207.5664  266.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6495  211.6428  265.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2358  211.7651  265.1480 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7760  213.4731  267.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6614  213.8407  267.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0438  212.4830  265.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.5052  214.7804  267.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-52.40884202,-145.63832463,-72.93453769,55.39133147,-121.50178942,61.66747921
-179.97355776,193.92210505,209.57173984,267.35256358,-1.53546683,-0.90552792
-0.05998056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443627/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74752

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-3.65248

>  <SCORE.INTRA.DIHEDRAL>
0.255525

>  <SCORE.INTRA.DIHEDRAL.0>
7.71916

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.380241

>  <SCORE.INTRA.VDW.0>
-3.12765

>  <SCORE.INTRA.norm>
-0.192236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.355133

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004687

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  195.3191  218.5070  256.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1441  218.1384  257.1095 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4705  216.9285  257.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4245  217.0137  257.8686 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4333  218.2413  258.4807 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4507  218.9112  257.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8946  220.5130  258.4661 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.0348  220.6336  260.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7164  219.7410  261.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5680  220.2039  261.8423 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3212  218.4109  261.0226 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7781  217.3706  261.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3320  216.0678  261.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7956  214.9882  262.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6933  215.2197  263.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1045  216.5192  263.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6448  217.5879  262.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3035  213.7631  262.0143 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2251  212.6778  262.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8079  215.7506  256.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9741  214.6191  256.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2670  213.4784  255.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4115  213.4608  254.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2692  214.5554  254.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9749  215.6865  255.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8153  211.9339  253.6931 Br  0  0  0  0  0  0  0  0  0  0  0  0
  192.7760  218.1264  260.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-177.40434538,-157.67225077,70.54600979,94.72320669,-176.33849899,139.46040909
194.06281903,216.05027941,258.20441970,0.54007219,1.48084827,-1.19986879

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443628/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.02931

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-5.37069

>  <SCORE.INTRA.DIHEDRAL>
-5.10846

>  <SCORE.INTRA.DIHEDRAL.0>
9.28725

>  <SCORE.INTRA.POLAR>
-0.912244

>  <SCORE.INTRA.POLAR.0>
-0.087756

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.285166

>  <SCORE.INTRA.VDW.0>
-0.177515

>  <SCORE.INTRA.norm>
-0.206565

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.231896

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  199.8533  202.6668  246.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7785  202.3472  245.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4992  201.2764  245.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3645  200.4782  245.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4636  200.7678  246.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7154  201.8755  247.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6540  202.3416  248.4082 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.0532  199.7874  246.5480 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.1354  199.1530  244.1799 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.8306  203.2195  245.6332 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5620  204.1937  245.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.6508  203.1118  246.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-47.13128066,198.90062125,201.09402468,246.21470255,-1.82608901,-0.55095045
-2.39033174

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443629/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06952

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.33048

>  <SCORE.INTRA.DIHEDRAL>
-0.222198

>  <SCORE.INTRA.DIHEDRAL.0>
0.615649

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.219381

>  <SCORE.INTRA.VDW.0>
-0.0339947

>  <SCORE.INTRA.norm>
-0.033048

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.606952

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000264

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  216.0268  193.0980  252.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1261  193.8931  251.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2702  193.2862  251.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2702  194.0883  250.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1230  195.4894  250.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0111  196.0898  251.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0153  195.2956  251.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5301  193.5771  250.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4091  191.8475  251.4257 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0100  190.9309  250.0341 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.6210  191.5099  248.8625 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1865  189.5554  250.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2580  191.1857  249.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3460  190.4227  250.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9594  190.5757  250.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4676  191.5017  249.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3668  192.2661  248.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7545  192.1105  248.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1042  191.5625  249.4349 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5222  192.7792  248.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7725  189.4483  251.5734 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.3512  189.8757  252.5767 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4346  188.2744  251.3777 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.3864  191.6216  251.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
100.92066258,46.97364465,-82.81587516,154.85088774,216.54909292,191.96534952
250.55224497,0.52151745,-0.18493903,-0.03234999

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443630/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.08016

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-1.31984

>  <SCORE.INTRA.DIHEDRAL>
-0.185221

>  <SCORE.INTRA.DIHEDRAL.0>
2.89867

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.22723

>  <SCORE.INTRA.VDW.0>
-1.2699

>  <SCORE.INTRA.norm>
-0.0573845

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.351311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000007

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  192.3974  220.7535  258.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9177  220.8831  258.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1824  219.5784  258.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8396  221.1021  260.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2566  222.0983  258.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2419  222.0594  256.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6135  223.2350  256.1381 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6184  223.1794  255.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
60.96167009,-179.73495582,-179.88902972,190.61518575,221.42351664,258.11610738
-0.81032222,1.08790420,-1.62226667

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443631/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.14781

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.252191

>  <SCORE.INTRA.DIHEDRAL>
-0.0537719

>  <SCORE.INTRA.DIHEDRAL.0>
0.0573203

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.225305

>  <SCORE.INTRA.VDW.0>
1.37738

>  <SCORE.INTRA.norm>
-0.0360273

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.02112

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  196.8774  219.9374  252.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0234  219.1282  253.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6096  219.0082  254.5971 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.9655  218.3087  254.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7559  220.3890  255.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5895  218.1566  255.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9803  217.9139  256.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9402  217.0761  257.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3133  216.8396  259.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3670  218.1090  259.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3788  218.7951  260.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7784  219.9447  261.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4435  219.8827  260.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1853  218.7711  259.9766 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-60.90778341,-179.99332332,179.66416854,-179.40294880,63.32115603,-115.42865573
195.88583473,218.73970912,257.09138979,-0.71354224,1.25552242,0.80992070

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443632/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3797

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.814286

>  <SCORE.INTRA>
-1.02027

>  <SCORE.INTRA.DIHEDRAL>
-1.12024

>  <SCORE.INTRA.DIHEDRAL.0>
1.21105

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.460151

>  <SCORE.INTRA.VDW.0>
4.53981

>  <SCORE.INTRA.norm>
-0.0728766

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.741409

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022427

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  212.7464  197.2839  251.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3582  196.3775  251.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1693  195.1709  250.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5384  195.1665  249.2739 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6838  195.6999  248.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6633  195.3959  247.4065 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5244  194.6891  247.1263 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8515  194.5720  248.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3190  193.7891  248.4116 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.2128  192.8403  246.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2126  191.6967  246.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8786  190.5772  247.2553 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4811  192.0575  246.4403 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5897  191.1926  246.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8387  191.7655  246.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9899  190.9674  246.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8947  189.5847  246.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6445  189.0047  246.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4995  189.8049  246.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2728  188.5442  246.1869 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.5039  191.7560  245.7327 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.7529  196.4721  249.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6298  196.7026  250.6881 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6020  197.3832  251.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5059  197.6154  252.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4977  198.3074  253.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6166  198.7890  252.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7391  198.5767  251.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7430  197.8750  250.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8470  197.6374  249.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8436  196.9263  248.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6760  193.0590  246.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 22 31  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-118.71371081,90.57902719,0.13480777,-164.42991777,69.87345621,93.36068612
-170.92662607,215.27525666,193.90012875,248.42799899,1.54075771,0.00372424
0.60854567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443633/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3661

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.03387

>  <SCORE.INTRA.DIHEDRAL>
-2.06134

>  <SCORE.INTRA.DIHEDRAL.0>
6.21754

>  <SCORE.INTRA.POLAR>
-0.233355

>  <SCORE.INTRA.POLAR.0>
-0.766645

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.209787

>  <SCORE.INTRA.VDW.0>
-3.07229

>  <SCORE.INTRA.norm>
-0.0656086

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.334391

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  201.1620  211.3682  252.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3625  210.6992  253.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4531  209.4608  253.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8733  210.4547  254.3090 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9924  209.7551  255.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4410  209.3615  256.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6755  208.9288  257.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4443  210.0546  258.3849 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0285  209.6043  259.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6570  210.8795  258.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7527  211.9725  257.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7101  213.0274  257.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3711  212.6456  257.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3600  213.5800  257.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7018  214.9360  258.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0565  215.3059  258.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0524  214.3598  257.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6814  215.8255  258.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7490  217.0704  257.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0374  213.2087  257.9990 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4625  212.8565  256.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4596  209.4805  253.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9118  208.7414  252.5364 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6958  211.7652  254.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0931  212.9784  254.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7934  214.1893  254.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1603  214.2052  254.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7683  213.0128  253.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0471  211.8147  253.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8273  215.3994  254.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6293  215.8005  253.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1805  215.3727  255.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1534  215.8185  254.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4 22  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  3  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
-179.46471304,173.01495311,34.27935798,168.83036608,-64.94574167,152.78912375
87.16264159,69.38203328,-57.40419362,-71.19795697,-136.84363561,-63.20016836
-131.01637826,203.50048181,212.58237480,255.93456938,2.10832914,1.55878166
2.91271074

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443634/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.93257

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.557576

>  <SCORE.INTRA>
-10.4674

>  <SCORE.INTRA.DIHEDRAL>
14.8341

>  <SCORE.INTRA.DIHEDRAL.0>
3.1554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-17.8845

>  <SCORE.INTRA.VDW.0>
14.9273

>  <SCORE.INTRA.norm>
-0.317195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.240381

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000510

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  186.0559  217.7528  263.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2610  217.3340  263.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4653  217.5633  262.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5704  217.2109  263.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2688  218.2007  261.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0731  218.6573  261.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8680  218.5596  262.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8009  219.1774  261.7138 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.5797  219.2034  262.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4554  219.6851  261.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2087  219.7279  262.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0594  219.2646  263.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1826  218.8245  264.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4389  218.8501  263.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0684  218.2077  265.9635 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  179.8328  219.2448  264.2686 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.8501  220.3566  261.4927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  179.1522  219.2388  263.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-167.92998461,22.39154968,183.74231748,218.78330027,263.09429492,0.02573807
-0.24207859,1.93284581

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443635/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.88365

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-0.516351

>  <SCORE.INTRA.DIHEDRAL>
-1.82917

>  <SCORE.INTRA.DIHEDRAL.0>
2.89446

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.398236

>  <SCORE.INTRA.VDW.0>
0.453402

>  <SCORE.INTRA.norm>
-0.0303736

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.346097

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  200.0339  210.0168  255.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9372  210.9716  254.4666 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.6518  212.0940  255.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0773  213.3634  254.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2474  214.6903  255.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6007  215.7351  254.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8370  215.4053  253.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6505  214.0638  252.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2585  213.0440  253.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1753  211.6810  253.4216 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1981  211.0614  252.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3014  216.4298  252.4904 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0493  217.0746  251.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8463  216.5103  250.7683 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6700  218.4644  251.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1058  219.4411  250.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3759  220.6154  250.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5425  220.2864  251.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6881  218.9781  252.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7929  217.4357  255.0144 P   0  0  1  0  0  0  0  0  0  0  0  0
  202.0235  218.1132  254.4757 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3601  218.2386  254.7538 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1790  218.0838  255.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5457  216.8405  255.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3273  216.7014  256.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7109  217.8073  256.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3103  219.0571  256.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5282  219.1852  256.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1161  220.5143  256.0349 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.4313  220.9541  254.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2276  221.1303  257.1059 O   0  5  0  0  0  0  0  0  0  0  0  0
  200.7379  217.5170  256.6761 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7032  218.8639  257.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0930  219.4203  257.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7839  218.5394  258.5230 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9261  217.2495  257.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5638  216.6579  257.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3536  212.0270  256.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1754  212.0129  255.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3165  216.3684  252.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0962  218.1691  253.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  6  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END
>  <CHROM.1>
85.93734518,82.20154532,40.02138866,-177.03639509,74.60863137,-172.17066044
-59.85946054,199.93695286,216.63002739,254.74341258,-0.78221307,-1.20242202
0.82031229

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443637/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.82737

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.317949

>  <SCORE.INTRA>
-6.57263

>  <SCORE.INTRA.DIHEDRAL>
-2.36796

>  <SCORE.INTRA.DIHEDRAL.0>
10.4355

>  <SCORE.INTRA.POLAR>
-1.21415

>  <SCORE.INTRA.POLAR.0>
-0.322801

>  <SCORE.INTRA.REPUL>
-0.0125997

>  <SCORE.INTRA.REPUL.0>
0.0125997

>  <SCORE.INTRA.VDW>
-1.19753

>  <SCORE.INTRA.VDW.0>
-7.08394

>  <SCORE.INTRA.norm>
-0.168529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.14942

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000501

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  209.2284  191.2551  251.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6221  191.7913  251.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6153  191.2344  252.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9419  191.6419  252.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2932  192.6079  251.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3234  193.1532  250.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9696  192.7765  250.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0400  193.2358  249.8036 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0524  192.7239  248.4283 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.4467  192.6923  247.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0844  193.6922  247.4584 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9055  191.4095  247.5837 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0798  190.3932  247.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3343  189.1970  247.9149 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5448  190.9878  248.5234 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.2334  191.1446  247.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3059  191.1390  248.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1808  190.3424  249.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2080  190.3036  250.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3836  191.0339  250.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5010  191.8520  248.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4667  191.9127  247.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0328  189.4333  251.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8989  189.2925  252.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8521  188.7787  251.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0008  194.2495  249.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7281  188.1919  252.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 26  1  0  0  0  0
  9  8  1  1  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
-99.79006973,-47.15435429,84.96085217,52.68391963,176.44986166,179.00982475
212.55765058,191.30969500,249.69605842,2.80907647,0.23320054,-1.36406247

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443638/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.97509

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-7.42491

>  <SCORE.INTRA.DIHEDRAL>
-4.95421

>  <SCORE.INTRA.DIHEDRAL.0>
9.3653

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.9478

>  <SCORE.INTRA.VDW.0>
-1.33578

>  <SCORE.INTRA.norm>
-0.296996

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.119004

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  219.7283  192.7760  247.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2429  192.9854  247.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4503  193.1310  248.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0446  193.2629  248.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2440  193.3554  249.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8543  193.4327  249.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2328  193.4228  247.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0033  193.3489  246.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4175  193.2752  246.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2266  193.2135  245.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6099  193.0116  245.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6712  193.1241  244.3433 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0176  193.1209  249.4119 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9734  192.3936  244.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3190  194.0107  243.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.4992  193.6764  250.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
149.42215813,-49.98254529,216.26152914,193.18635065,247.33783859,-0.14471408
-0.08947541,1.53512475

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443640/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.52873

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.871267

>  <SCORE.INTRA.DIHEDRAL>
1.08419

>  <SCORE.INTRA.DIHEDRAL.0>
0.63339

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.41336

>  <SCORE.INTRA.VDW.0>
1.37016

>  <SCORE.INTRA.norm>
-0.0670205

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.425287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000761

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 44  0  0  0  0  0  0  0  0999 V2000
  199.5522  199.6291  242.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1354  198.2533  243.2522 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.8320  197.7970  242.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5873  196.3583  243.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6395  196.1465  244.6266 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.0130  196.6378  245.2354 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9721  198.0882  244.7480 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1344  197.8689  245.5684 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1498  199.0534  246.5537 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.6712  199.1964  246.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0085  199.0162  245.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6677  200.3367  245.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9597  198.7705  247.6987 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5637  197.5824  248.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6770  197.0794  249.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8677  196.6465  248.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9335  197.4223  248.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1061  196.9584  247.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9285  197.3218  246.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4845  196.4680  245.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3192  196.8473  243.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9109  196.6142  243.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5581  195.6725  242.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1427  195.4355  241.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6714  194.0804  242.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2622  193.7929  241.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7720  192.4351  242.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3647  192.2049  241.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7133  190.9169  242.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3867  190.9405  243.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1870  190.7319  244.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4415  190.8841  246.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7481  190.8028  247.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1201  191.1944  245.8169 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0659  191.2277  244.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0376  191.4629  243.8475 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5166  190.4331  244.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3542  190.2114  245.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2968  194.6411  244.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5363  194.2495  246.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8187  194.3146  244.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  6  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
>  <CHROM.1>
170.62196179,-56.70351694,161.91284569,-64.41841329,96.22340101,92.16741488
-98.78752782,-122.94125547,-111.96238319,-112.21141263,-176.59214546,179.72144810
-179.73960090,-176.27165527,68.88756355,-80.31166899,-179.87602650,199.35932300
195.24360011,244.94664688,0.75070553,-0.50692072,-0.21602983

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443641/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.4088

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.546341

>  <SCORE.INTRA>
-7.99115

>  <SCORE.INTRA.DIHEDRAL>
3.04166

>  <SCORE.INTRA.DIHEDRAL.0>
4.28434

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.51199

>  <SCORE.INTRA.VDW.0>
4.79679

>  <SCORE.INTRA.norm>
-0.194906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.351435

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.423662

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  185.4100  217.1604  252.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8753  218.4705  251.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0688  219.5679  252.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4626  220.8064  251.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6730  220.9516  250.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4891  219.8643  249.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0942  218.6268  250.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0519  222.5630  249.8318 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.1183  223.1338  250.6290 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1713  222.4435  248.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6285  223.4296  250.1704 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.3310  222.7521  250.2248 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.0840  223.3419  250.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8971  222.6605  250.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5543  223.3357  250.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8994  221.3322  250.2075 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.0064  220.8122  250.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.0661  224.8343  250.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7333  224.4351  250.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.3527  221.7345  250.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
49.28576424,-29.94843710,-177.25427399,0.01944803,185.08083697,221.58320176
250.47420918,0.65784594,-0.10831361,2.87032868

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443650/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.81481

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-1.58519

>  <SCORE.INTRA.DIHEDRAL>
-0.311126

>  <SCORE.INTRA.DIHEDRAL.0>
2.59914

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.42962

>  <SCORE.INTRA.VDW.0>
1.15048

>  <SCORE.INTRA.norm>
-0.0880658

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.434156

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000516

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  217.8185  191.1216  237.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7185  190.9593  238.8360 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8309  190.1637  238.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4751  190.2047  239.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7673  191.0841  240.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6571  191.5748  240.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7782  192.4965  240.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0419  192.9667  241.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1632  192.4930  242.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0213  191.5252  242.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3433  193.0229  243.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4974  193.9290  244.4389 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4734  194.3095  243.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2023  193.8677  242.4405 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4692  192.6210  244.6774 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6670  191.3731  245.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6542  190.4997  244.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7979  189.2276  245.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9515  188.7968  246.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9464  189.6437  246.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8055  190.9167  246.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1515  188.0704  244.7517 Br  0  0  0  0  0  0  0  0  0  0  0  0
  220.8151  193.4075  245.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-73.14859708,111.44238036,220.25706843,190.78515152,243.16390408,-2.60708927
-0.85364624,1.30861907

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443651/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.59831

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-0.801688

>  <SCORE.INTRA.DIHEDRAL>
-0.112109

>  <SCORE.INTRA.DIHEDRAL.0>
1.03495

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.745633

>  <SCORE.INTRA.VDW.0>
-0.873003

>  <SCORE.INTRA.norm>
-0.0364404

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.299923

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000641

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  208.7088  193.1966  239.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1066  192.4756  240.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3297  192.3942  240.8867 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5152  190.9061  241.1076 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.0364  190.4229  241.0592 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.2330  191.6050  240.9852 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7598  189.7849  239.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1188  189.5795  239.1075 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.2715  190.3526  239.8259 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.3794  189.2244  239.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7202  188.9568  238.1848 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.4659  188.4620  237.3868 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2787  189.4835  237.5961 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9495  189.1504  236.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1282  188.6260  235.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1943  187.5805  235.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8591  186.2817  235.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8939  185.2441  235.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5961  184.0871  236.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2963  185.6604  235.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6165  186.9620  235.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6144  188.0843  235.8656 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.0425  189.2994  235.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0819  187.2923  238.0291 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.8357  188.0795  238.0908 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0824  191.5578  239.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3078  190.7284  242.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8027  191.6934  242.9915 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4061  189.3211  243.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8431  188.3019  242.1702 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9302  187.0437  242.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4173  186.7759  243.7879 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3281  186.0335  241.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5688  187.2376  238.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  8  7  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  1  0  0  0
 12 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  1  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 25 34  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
-7.51953001,62.45295288,6.99634795,179.54259681,1.17485282,210.80635667,188.91276806
239.05364117,1.93342205,-1.25558942,1.32932987

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443652/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.50878

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-1.89122

>  <SCORE.INTRA.DIHEDRAL>
-1.14097

>  <SCORE.INTRA.DIHEDRAL.0>
2.96472

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.32074

>  <SCORE.INTRA.VDW.0>
-0.355048

>  <SCORE.INTRA.norm>
-0.0573098

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.227539

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006461

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  189.0973  207.3782  262.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0194  208.1705  261.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7215  208.3198  260.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5075  207.6737  259.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5717  206.8561  259.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8696  206.7172  261.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2319  207.8804  257.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3003  208.7050  257.5957 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0961  208.8745  256.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2852  209.7122  255.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7589  208.1386  255.2738 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6739  207.3025  255.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9443  207.1904  257.0177 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4294  206.4434  254.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8649  206.8691  252.9857 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.1670  206.7906  254.7588 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.0852  204.7294  254.9407 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.6008  206.4776  257.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
2.97700164,1.99713973,188.80762900,207.21588199,256.72783885,-1.72982533
0.76286101,-1.64615645

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443653/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27655

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-1.12345

>  <SCORE.INTRA.DIHEDRAL>
-1.34133

>  <SCORE.INTRA.DIHEDRAL.0>
2.08842

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.452789

>  <SCORE.INTRA.VDW.0>
-0.748508

>  <SCORE.INTRA.norm>
-0.0660855

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.369209

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000515

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  185.5981  212.5738  256.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6565  211.9028  256.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3621  210.9915  256.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7577  211.1490  256.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5187  210.2578  257.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9177  209.1986  258.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5389  209.0155  258.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7669  209.9057  257.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7565  208.2742  259.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8566  207.5841  258.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6625  208.5343  257.6838 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7079  209.2117  258.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0343  209.0566  259.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4342  210.1820  257.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7026  210.6372  257.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4080  211.5355  257.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8511  211.9770  255.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5804  211.5432  255.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8329  210.6837  256.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6176  210.1727  255.7362 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3027  212.2147  256.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4812  213.4084  257.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3555  208.8050  256.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9073  210.9113  255.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.7169  209.6656  254.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-125.73036991,92.64438298,-58.46653396,52.76958910,82.56943427,-163.09568881
121.92849348,190.59150539,210.48055556,257.27320829,-3.05647138,-0.04544451
2.55839640

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443654/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.84878

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-8.55122

>  <SCORE.INTRA.DIHEDRAL>
3.15929

>  <SCORE.INTRA.DIHEDRAL.0>
8.5001

>  <SCORE.INTRA.POLAR>
-1.70045

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.34932

>  <SCORE.INTRA.VDW.0>
3.43244

>  <SCORE.INTRA.norm>
-0.388692

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.174944

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  197.5362  200.7563  251.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9697  201.6712  250.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5105  202.9861  250.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1657  203.7830  249.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2834  203.3149  248.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6987  202.0585  248.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9939  201.2438  249.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2668  200.0231  249.4407 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5964  199.4115  248.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5683  199.8280  247.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9446  198.0978  248.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8139  197.1536  247.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2981  195.8829  247.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8925  195.5355  249.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9816  196.4662  250.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4994  197.7370  249.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5794  198.5993  250.9724 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.5835  196.1417  251.4315 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.4211  194.3060  249.4196 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.2012  194.9909  246.8987 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.1698  197.4379  246.3810 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.3894  203.5533  251.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7030  203.0569  252.4219 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4986  204.0132  252.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6602  205.0678  252.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9467  204.7844  250.9635 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4226  206.1872  252.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0038  206.1682  253.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7948  205.0760  254.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0596  203.9790  254.2027 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4836  199.4335  250.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 30  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-7.25530010,-160.76375116,-150.19298894,196.01207239,200.38998196,250.09730714
0.01150351,0.96485177,1.98042569

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443655/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.19766

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.28

>  <SCORE.INTRA>
-9.59766

>  <SCORE.INTRA.DIHEDRAL>
-3.18963

>  <SCORE.INTRA.DIHEDRAL.0>
6.59408

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.00285

>  <SCORE.INTRA.VDW.0>
8.94075

>  <SCORE.INTRA.norm>
-0.319922

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.0399222

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003671

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  214.3244  199.6996  231.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4537  200.2046  232.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5220  199.8237  233.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7964  200.2618  234.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9297  199.9931  235.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7926  199.1849  235.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5211  198.7607  234.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3722  199.0788  233.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8472  198.7990  236.5897 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6403  198.1320  236.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0967  197.9049  235.3429 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9560  197.7741  237.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4421  198.1020  238.9189 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5304  197.5773  239.7826 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5814  197.8138  241.2202 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.3969  197.1366  241.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0801  197.2783  241.1785 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.3134  196.6938  239.8533 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4209  197.0711  239.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6952  197.1124  237.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6644  196.5689  236.5724 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.5551  198.7015  241.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5054  199.2480  241.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2746  200.6166  241.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1765  201.0895  240.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3099  199.8968  240.1910 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.8960  197.4023  241.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9600  197.5992  243.1991 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.1252  196.0809  241.6493 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.9571  198.0575  241.3316 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.1203  200.5561  237.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3634  200.3281  237.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9960  199.1278  237.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4580  196.5110  239.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  6  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
174.21359732,-57.57508289,172.28974498,1.85545694,-179.34420362,-104.62408965
209.38989431,198.51082353,238.25181741,0.83006837,-0.12087974,-1.48844952

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443656/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.59376

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-4.80624

>  <SCORE.INTRA.DIHEDRAL>
-2.37484

>  <SCORE.INTRA.DIHEDRAL.0>
6.44903

>  <SCORE.INTRA.POLAR>
0.00657492

>  <SCORE.INTRA.POLAR.0>
-0.117367

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.64118

>  <SCORE.INTRA.VDW.0>
2.94112

>  <SCORE.INTRA.norm>
-0.150195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.206055

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000137

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  200.1079  215.4799  269.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9127  216.6803  268.6062 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5303  216.2374  267.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7201  216.9639  266.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8768  214.9186  267.3823 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8201  214.4788  268.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2620  213.4340  269.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5516  214.1912  266.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5694  213.4831  265.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6681  212.4693  266.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7218  211.1139  265.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8099  210.2114  266.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8433  210.6533  267.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7921  211.9959  267.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7016  212.8993  266.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5035  217.0795  268.4281 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3208  218.2300  267.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1282  218.0746  266.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1704  216.7641  265.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3352  215.7125  266.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3823  214.4950  265.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2525  214.3410  264.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0894  215.3817  264.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0400  216.5971  264.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2402  212.8272  263.5884 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.5063  212.6499  262.9272 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6138  211.7984  264.3793 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1376  213.2353  262.3878 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0800  217.2885  269.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2112  213.3927  262.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5005  213.9843  261.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  6  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.29047299,-92.21119424,-59.39121581,-117.16489807,138.68013602,-51.32105514
102.94217528,-156.42813260,-65.48749589,198.66889274,214.30057109,266.09884414
-0.96256284,0.83183965,-2.86908436

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443657/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.17592

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-9.22408

>  <SCORE.INTRA.DIHEDRAL>
-1.98124

>  <SCORE.INTRA.DIHEDRAL.0>
8.11339

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.23346

>  <SCORE.INTRA.VDW.0>
-0.714973

>  <SCORE.INTRA.norm>
-0.329432

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.184854

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012067

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  200.1150  217.1945  245.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5572  216.7904  246.9728 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0164  217.6957  247.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0247  218.8953  247.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5061  217.1930  249.0360 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3971  215.7489  249.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4084  214.9625  248.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3154  213.4951  248.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6889  212.8318  248.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6479  213.5671  249.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7699  215.0478  249.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0520  218.2164  250.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5396  218.1419  250.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0918  219.1704  251.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9219  219.0775  252.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4042  219.2620  252.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8996  218.2290  251.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3490  215.8193  247.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
-65.33827264,116.09334969,198.38648282,216.80096422,249.39602087,-0.82421020
1.14276638,-0.05080347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443666/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35307

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.0469282

>  <SCORE.INTRA.DIHEDRAL>
-0.00504946

>  <SCORE.INTRA.DIHEDRAL.0>
2.41425

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0444034

>  <SCORE.INTRA.VDW.0>
-1.59161

>  <SCORE.INTRA.norm>
-0.00276048

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.432534

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000653

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  209.4040  193.3061  245.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4919  194.0333  244.1554 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0342  195.4569  244.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7646  195.5041  244.9177 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.3472  193.1830  243.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5070  193.5055  242.9191 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8637  192.0044  242.6863 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5198  191.4575  242.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7384  189.9670  242.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9939  189.6863  242.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7774  191.0093  242.0963 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2639  191.3717  240.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0225  190.7146  239.6734 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0946  192.4401  240.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3036  194.7635  243.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1946  192.8825  241.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
65.24202136,-105.48337772,56.36437730,-116.74057913,-5.53945985,210.50171181
192.67387542,242.91668028,1.45874275,0.70161155,0.75358286

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443667/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.68443

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-4.71557

>  <SCORE.INTRA.DIHEDRAL>
0.302607

>  <SCORE.INTRA.DIHEDRAL.0>
1.82474

>  <SCORE.INTRA.POLAR>
-1.03262

>  <SCORE.INTRA.POLAR.0>
-0.476285

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.35596

>  <SCORE.INTRA.VDW.0>
1.56404

>  <SCORE.INTRA.norm>
-0.336826

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.334602

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.257074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  198.0233  192.1909  249.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2958  193.5677  248.8244 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.9807  194.5386  249.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9851  195.6350  249.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8850  195.2875  249.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0055  194.1054  248.4268 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7664  196.0871  249.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7899  197.3137  249.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9418  197.7270  250.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0395  196.8581  250.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0314  199.0802  251.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0604  199.8346  251.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3478  199.5203  251.6073 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4710  199.6184  250.5498 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.4391  200.5507  251.1247 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8535  201.4060  252.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3680  202.3884  252.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4200  200.8827  252.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5786  201.4773  252.8637 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8634  200.5610  250.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2386  201.3721  249.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7884  202.8367  249.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2437  203.6425  250.7268 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.8531  203.2085  251.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7387  203.7407  250.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6178  205.0197  250.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0888  200.0688  249.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2384  199.1860  248.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0528  199.6384  246.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7391  200.9233  246.5237 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.6508  201.2470  245.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5055  201.7860  247.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6388  201.3674  248.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  6  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 33  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  CHG  2  23   1  30   1
M  END
>  <CHROM.1>
4.05314243,62.01868079,-115.55225736,85.77486087,55.24128525,55.33802036
-60.21238945,199.01922000,199.36380720,249.99066962,-2.24664658,0.79113959
0.68910075

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443668/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.78363

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-3.61637

>  <SCORE.INTRA.DIHEDRAL>
-2.69155

>  <SCORE.INTRA.DIHEDRAL.0>
6.8614

>  <SCORE.INTRA.POLAR>
-0.550655

>  <SCORE.INTRA.POLAR.0>
-0.949339

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.398367

>  <SCORE.INTRA.VDW.0>
-4.27651

>  <SCORE.INTRA.norm>
-0.116657

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.283343

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  186.5077  211.9744  258.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2330  212.7057  257.4682 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.4879  212.0466  256.7604 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.0515  213.1346  255.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9632  213.9792  256.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3876  213.0589  257.9268 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.8023  211.6645  257.5421 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.6191  210.6941  258.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5358  211.0480  259.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2753  212.4745  260.4509 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.8986  213.4995  259.3233 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.1261  214.9763  259.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4655  215.0512  261.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5178  214.5060  262.1732 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.2431  212.8740  261.7773 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2702  212.3386  262.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8046  212.3480  264.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2512  213.7195  264.7340 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0029  214.4630  263.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1132  214.5235  265.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5165  212.0115  261.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2707  215.9239  261.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8588  210.9562  256.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0198  210.9332  255.9986 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2492  212.8851  256.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6923  214.1231  265.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2395  211.2715  255.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.5664  213.4915  256.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  6  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  6  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  6  0  0  0
 15 16  1  0  0  0  0
 15 21  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-173.28443575,66.08779451,47.03821826,63.10887426,189.92855941,212.94819355
259.88923612,-3.02648502,-1.17470649,-0.13054062

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443669/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.28516

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.256

>  <SCORE.INTRA>
-3.11484

>  <SCORE.INTRA.DIHEDRAL>
-3.18617

>  <SCORE.INTRA.DIHEDRAL.0>
4.2444

>  <SCORE.INTRA.POLAR>
0.0662003

>  <SCORE.INTRA.POLAR.0>
-0.365231

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.74683

>  <SCORE.INTRA.VDW.0>
1.7824

>  <SCORE.INTRA.norm>
-0.124594

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.131406

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000958

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  203.4595  193.7249  250.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4790  194.6740  249.5302 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8883  196.1718  249.4905 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.0747  196.3710  248.5190 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7034  195.7989  247.1395 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2620  194.3235  247.3115 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1712  194.1957  248.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7675  193.6356  245.7016 S   0  5  0  0  0  0  0  0  0  0  0  0
  202.7071  196.5795  246.5154 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4572  197.7219  248.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1399  196.6823  250.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5108  194.0198  251.6371 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8877  196.5701  247.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6754  198.2384  248.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3803  197.6413  250.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6925  194.9916  251.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  1  0  0  0
  4  5  1  0  0  0  0
  4 10  1  6  0  0  0
  5  6  1  0  0  0  0
  5  9  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  1   8  -1
M  END
>  <CHROM.1>
65.92929307,-52.00748327,-178.98146044,-59.79931271,-61.48683090,203.17280903
195.22288598,248.40390673,1.06244874,1.32581197,1.83449625

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443670/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.70587

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-9.10587

>  <SCORE.INTRA.DIHEDRAL>
-13.1956

>  <SCORE.INTRA.DIHEDRAL.0>
13.8956

>  <SCORE.INTRA.POLAR>
-0.738347

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00232919

>  <SCORE.INTRA.VDW.0>
-0.456009

>  <SCORE.INTRA.norm>
-0.758823

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
-0.225489

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  200.5744  204.4607  238.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0206  203.2614  239.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0755  202.9437  240.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2634  201.4391  241.0513 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.9185  201.3011  239.4317 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3633  202.3244  238.7219 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6681  203.6710  241.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1873  204.7711  241.7930 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6386  203.0170  243.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1579  203.4737  244.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0909  202.6068  245.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6332  202.9786  246.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1943  204.2515  246.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2631  205.1157  245.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7366  204.7315  244.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7241  204.6270  248.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2504  205.8257  248.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8800  205.5664  249.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5988  204.2140  250.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7991  203.6855  249.1689 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0741  203.4400  251.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3474  202.9831  251.1502 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.0830  204.1891  252.4509 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.3065  202.3476  251.5658 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.0808  207.1185  247.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8287  207.3744  247.4824 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.3977  208.1472  248.7535 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.9104  207.2120  246.8566 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.2916  202.0671  243.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
2.89260572,-176.02085631,-175.92049086,43.71826877,-81.52101944,201.98851999
204.14424442,245.84055942,-2.84140714,1.18407605,2.62165344

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443671/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.5282

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-1.8718

>  <SCORE.INTRA.DIHEDRAL>
-3.93371

>  <SCORE.INTRA.DIHEDRAL.0>
5.6073

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0950577

>  <SCORE.INTRA.VDW.0>
-1.49349

>  <SCORE.INTRA.norm>
-0.06685

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.304579

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000876

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  202.6891  194.3653  242.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7535  195.5975  243.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9620  195.5885  243.9214 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1209  196.6495  244.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4233  196.9133  245.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6769  197.9496  246.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6252  198.7278  246.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3203  198.5171  246.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0813  197.4602  245.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1487  199.3610  246.5223 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7025  200.4137  245.4685 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.2481  200.5104  245.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4982  201.4050  245.4435 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8179  199.3012  246.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6765  199.0409  246.9683 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9677  198.6120  246.9600 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9920  197.4633  247.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3015  196.1178  247.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4419  195.5293  246.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6994  194.2459  245.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8114  193.5322  246.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6606  194.0961  247.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4086  195.3799  247.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8929  199.9813  244.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9285  199.6946  243.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2578  199.8722  243.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5530  198.9547  242.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9006  198.7016  242.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9096  199.4699  242.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6451  200.3988  243.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3139  200.5480  244.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1740  199.0896  242.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9837  197.6931  241.9808 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5333  197.5156  241.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0690  197.2044  241.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  6  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 34  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  6  0  0  0
M  END
>  <CHROM.1>
-178.86468186,-159.92290952,102.31574648,108.14458530,-83.03775209,-64.26568877
150.03050388,203.05201804,197.87657981,244.76258378,-0.19037756,-0.63128287
2.93000965

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443672/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.1792

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.354286

>  <SCORE.INTRA>
-9.2208

>  <SCORE.INTRA.DIHEDRAL>
-7.57231

>  <SCORE.INTRA.DIHEDRAL.0>
14.4032

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.43465

>  <SCORE.INTRA.VDW.0>
-2.8613

>  <SCORE.INTRA.norm>
-0.263452

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0908342

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000430

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  214.3534  185.8369  246.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6891  185.1503  246.5640 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.3515  185.7751  245.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9515  187.0819  245.5928 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8252  187.1569  246.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1737  186.5125  248.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5959  185.1874  247.7419 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9393  184.1310  248.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7806  184.2719  249.4934 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3460  182.7681  248.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3498  182.4664  247.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8579  181.1677  247.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3013  180.1637  248.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2247  180.4684  249.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7494  181.7612  249.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9587  181.0375  246.3549 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8319  179.7570  245.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4657  188.2124  244.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0013  189.4448  245.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4903  190.5128  244.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5230  190.4467  243.6630 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0653  189.2134  243.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5066  188.0973  244.0334 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7569  189.0308  242.2398 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.3841  188.5634  243.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1240  187.0670  243.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0341  186.6060  242.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2100  186.2855  243.6112 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1306  184.8644  243.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0350  184.0169  242.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2843  183.9901  243.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1309  192.0894  244.8025 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.0403  186.7511  243.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
177.80932974,-4.42253623,154.07094068,-110.53340315,-102.52413054,-121.35779027
73.16833736,215.25844186,186.00520277,245.52376934,-1.52864702,-0.75380977
-0.42604050

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443673/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.66121

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-3.73879

>  <SCORE.INTRA.DIHEDRAL>
-5.67245

>  <SCORE.INTRA.DIHEDRAL.0>
13.336

>  <SCORE.INTRA.POLAR>
-0.445253

>  <SCORE.INTRA.POLAR.0>
-0.554747

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.611293

>  <SCORE.INTRA.VDW.0>
-1.76738

>  <SCORE.INTRA.norm>
-0.116837

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.270663

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000111

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 39  0  0  0  0  0  0  0  0999 V2000
  190.3559  220.6877  256.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8783  220.3999  254.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0276  220.0993  253.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5843  220.0360  253.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5829  219.7459  253.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2228  219.6576  253.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7810  219.9088  254.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6790  220.2435  255.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0727  220.3029  255.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9768  220.6354  256.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4983  220.9334  257.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2834  221.2554  258.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0595  220.8345  258.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1620  220.5116  256.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7680  220.4388  257.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8595  220.1197  256.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3375  219.8475  254.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5484  219.5731  254.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4862  220.0442  256.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9812  220.2796  257.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8351  220.5820  258.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2706  220.6681  258.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2762  220.9323  259.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6291  221.0427  259.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9662  221.0982  261.5173 Br  0  0  0  0  0  0  0  0  0  0  0  0
  182.0418  220.7595  260.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0624  220.0724  260.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3322  221.8663  260.8024 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8949  219.5561  251.1325 Br  0  0  0  0  0  0  0  0  0  0  0  0
  190.7777  219.7276  252.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4970  218.7700  251.8939 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8857  220.4774  252.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.7593  222.0265  261.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4423  220.2484  251.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 24  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
133.99369679,36.90178618,174.41707386,176.82835496,186.42956497,220.34464299
256.32707714,-0.98951855,0.08303470,1.37186129

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443682/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.89804

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.23125

>  <SCORE.INTRA>
-3.50196

>  <SCORE.INTRA.DIHEDRAL>
-6.09067

>  <SCORE.INTRA.DIHEDRAL.0>
17.6464

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.456629

>  <SCORE.INTRA.VDW.0>
0.789245

>  <SCORE.INTRA.norm>
-0.109436

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.121814

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005532

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  216.1846  193.8151  248.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5240  192.0102  246.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5248  193.0557  244.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0510  191.1477  245.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6307  193.3021  246.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6157  191.7007  248.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0199  192.2652  243.5421 P   0  0  0  0  0  0  0  0  0  0  0  0
  212.6318  190.7621  243.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7503  190.7341  244.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8371  189.5155  244.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0122  189.5087  243.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9297  189.5790  242.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8301  190.8047  242.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7979  191.9098  242.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
178.43714700,69.40315309,213.55052822,191.48111885,244.83218754,0.57159070
0.49759200,1.55871651

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443683/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-14.9046

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-22.3046

>  <SCORE.INTRA.DIHEDRAL>
-0.967671

>  <SCORE.INTRA.DIHEDRAL.0>
3.61126

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-21.8207

>  <SCORE.INTRA.VDW.0>
21.0127

>  <SCORE.INTRA.norm>
-1.71574

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
-1.14651

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025292

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  197.2562  212.4091  256.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2559  211.3096  257.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3411  211.2275  256.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3804  210.3238  256.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3588  209.5039  257.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2826  209.5663  258.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2094  210.4477  258.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0683  210.3798  259.0056 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2861  210.5016  260.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3599  210.4330  260.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9860  210.7818  261.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6442  211.0171  262.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3931  211.1184  263.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7380  211.4276  264.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4881  211.6504  266.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8797  211.5601  265.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5281  211.2676  264.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7898  211.0704  263.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7614  212.0814  267.5242 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.9973  211.5555  264.9144 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.6985  210.8518  259.9478 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7318  210.3906  258.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1387  210.0573  257.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6212  210.0834  257.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3623  210.1050  257.3064 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7823  209.5261  256.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5508  210.0096  255.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8736  208.4930  256.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9125  207.7079  257.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8099  206.6424  257.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6788  206.3482  256.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6855  207.1490  255.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8108  208.2380  255.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  3  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-129.14691431,177.93369467,-130.69557135,23.31614741,196.69046309,210.33941439
260.15688691,1.39740920,0.13825992,-1.80937831

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443685/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.32266

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-4.07734

>  <SCORE.INTRA.DIHEDRAL>
-4.53469

>  <SCORE.INTRA.DIHEDRAL.0>
19.2891

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.80999

>  <SCORE.INTRA.VDW.0>
-3.8172

>  <SCORE.INTRA.norm>
-0.123556

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.161293

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000259

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  200.0825  207.1198  243.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8435  206.2158  244.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6509  204.7711  244.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9840  206.3582  245.3814 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7605  205.8273  246.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9882  205.9453  247.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1962  205.2205  246.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7007  205.9516  245.8490 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7278  205.2556  245.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1535  204.1101  244.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4165  206.2655  244.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2640  207.3581  247.6101 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2007  207.7822  248.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7939  207.1106  249.3098 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3708  209.0996  248.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4392  209.7251  248.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7072  209.3715  248.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0215  207.9931  248.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1742  207.6055  247.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4662  208.1160  248.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1650  206.0832  247.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2236  211.2441  248.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9843  211.5850  249.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7182  212.9935  249.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3031  213.4916  248.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5926  213.2413  250.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
165.90691225,178.50733834,-58.65457963,72.03105636,171.41163534,-172.79996332
74.12054909,-4.15146267,-173.37418794,80.86215575,-69.87544756,60.88283958
178.13000164,72.77690589,-179.17868912,74.23789312,203.45720743,207.91688396
247.19769693,1.76140818,0.25283360,-2.57091973

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443686/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.0497

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.823077

>  <SCORE.INTRA>
-10.3503

>  <SCORE.INTRA.DIHEDRAL>
-12.8401

>  <SCORE.INTRA.DIHEDRAL.0>
20.5404

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.93023

>  <SCORE.INTRA.VDW.0>
4.38088

>  <SCORE.INTRA.norm>
-0.398087

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.42499

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031687

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  204.5183  225.6422  259.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1852  224.9123  259.2219 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2822  225.1491  258.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4285  223.9662  257.9394 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0601  222.8299  258.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3552  223.3872  259.2623 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6034  222.8985  260.6250 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0405  223.9873  257.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2039  224.2330  259.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8151  224.2064  258.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2227  223.9077  257.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0029  223.6573  256.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3997  223.7279  256.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3678  223.3145  255.2994 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9957  223.1305  255.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1570  223.3507  256.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7500  223.8083  257.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0270  224.0646  258.5392 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7110  223.1099  256.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8796  223.2816  256.9997 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3693  222.6902  254.8792 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1747  222.9159  254.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8088  223.1402  252.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8814  223.9731  253.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7104  224.4324  260.2306 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.4826  223.2928  260.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7503  221.8896  260.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4056  222.5288  254.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-75.91106624,-62.74289375,-149.57128313,179.79553550,179.92479450,198.64901327
223.74858535,257.28387614,-0.42020413,-0.07158143,-1.67590067

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443687/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.08306

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-2.31694

>  <SCORE.INTRA.DIHEDRAL>
-0.0501997

>  <SCORE.INTRA.DIHEDRAL.0>
2.80902

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.29184

>  <SCORE.INTRA.VDW.0>
0.532374

>  <SCORE.INTRA.norm>
-0.0926775

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.283323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011195

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  199.4397  208.3326  250.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1640  208.7977  250.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7772  208.8486  249.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5695  208.4748  248.2289 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8099  208.0113  248.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2766  207.9319  249.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7201  207.6091  247.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7935  208.6323  246.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5319  208.7711  245.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9048  208.9790  246.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
47.51154562,-64.73764942,54.28061265,199.46231488,208.39278828,248.38972529
-1.91877864,0.36098726,-1.44919707

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443688/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78634

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.613661

>  <SCORE.INTRA.DIHEDRAL>
0.180269

>  <SCORE.INTRA.DIHEDRAL.0>
0.765421

>  <SCORE.INTRA.POLAR>
-0.118567

>  <SCORE.INTRA.POLAR.0>
-0.667633

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.300668

>  <SCORE.INTRA.VDW.0>
0.199641

>  <SCORE.INTRA.norm>
-0.0681845

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.754038

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001238

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  218.7708  181.6303  254.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3410  182.3296  253.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9308  183.5312  253.4758 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4843  184.1948  252.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4667  183.6486  251.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8548  182.4782  250.8672 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2630  181.8285  251.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4256  180.3227  251.4607 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.7038  180.6683  251.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0077  179.7585  252.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6661  179.9715  252.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9991  181.0946  252.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6680  181.9903  251.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0091  181.7733  251.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1021  185.5356  252.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1642  186.7405  252.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9826  186.7481  253.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9596  188.0392  252.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-93.58846131,65.69765269,-127.77681940,65.17948718,218.37212247,182.79566004
252.34942208,-2.26844035,0.11516224,0.19025948

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443689/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.96425

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.435754

>  <SCORE.INTRA.DIHEDRAL>
0.103234

>  <SCORE.INTRA.DIHEDRAL.0>
4.71382

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.487371

>  <SCORE.INTRA.VDW.0>
-1.31873

>  <SCORE.INTRA.norm>
-0.0242086

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.498014

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000347

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  189.7196  213.7970  257.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0891  214.6085  258.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6822  215.9466  258.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0779  216.6545  259.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9140  216.0436  260.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3184  214.7236  260.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8930  214.0102  259.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6592  217.9221  259.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5884  218.4775  259.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2635  219.8732  259.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3421  220.8912  259.9477 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9575  219.9531  257.9146 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9147  218.8293  257.1611 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4917  218.9359  255.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4865  217.7516  255.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5089  217.7140  253.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5968  216.3687  253.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6030  215.6093  254.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4675  216.4384  255.5837 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2728  215.9876  256.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8829  214.7969  257.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7021  214.3438  258.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8928  215.0762  259.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2587  216.2475  259.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4480  216.7006  257.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7024  214.6062  260.9162 N   0  3  0  0  0  0  0  0  0  0  0  0
  185.2790  213.5640  261.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9812  215.2851  261.6610 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.8720  216.6558  256.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7728  220.8690  257.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  CHG  2  26   1  28  -1
M  END
>  <CHROM.1>
153.61464519,-178.35152296,-119.50999993,173.00382961,-157.02222395,-149.40031701
186.40310385,216.50163147,258.20388823,-1.03028552,1.25567596,-1.51851646

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443690/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.21436

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-6.18564

>  <SCORE.INTRA.DIHEDRAL>
-2.27924

>  <SCORE.INTRA.DIHEDRAL.0>
10.204

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.04602

>  <SCORE.INTRA.VDW.0>
-0.537084

>  <SCORE.INTRA.norm>
-0.213298

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.179805

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  202.0790  210.9106  254.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7240  211.8848  255.3509 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5740  211.2750  256.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2338  212.3568  257.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2238  213.1090  257.8395 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7947  214.1404  258.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6787  214.9135  259.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8382  215.5152  258.3531 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7763  216.2439  258.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-179.61965458,60.68957313,-179.83549091,179.88960734,-61.17290305,179.72611861
202.74134053,213.38098213,257.37114317,1.35718408,0.50544740,-2.34575455

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443691/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1468

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
-0.253235

>  <SCORE.INTRA.DIHEDRAL>
0.00825758

>  <SCORE.INTRA.DIHEDRAL.0>
2.20742e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.257364

>  <SCORE.INTRA.VDW.0>
-0.686406

>  <SCORE.INTRA.norm>
-0.0281373

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.23853

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.104387

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  200.0104  222.3263  248.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2755  222.9082  247.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0321  221.9161  246.6992 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8239  221.8423  245.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8316  220.7395  244.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9953  221.1317  247.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7902  220.2150  246.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7598  219.4436  247.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9563  219.5602  248.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1626  220.4680  249.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2077  221.2428  248.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9788  218.7321  249.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6901  217.8701  248.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6936  216.9843  249.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5109  216.2461  248.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4234  216.2506  246.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2376  215.5394  246.1388 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.0863  215.3389  244.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6965  216.4838  243.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3951  214.7577  246.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6045  215.6635  246.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3120  217.0936  246.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5044  217.8268  247.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5031  218.5905  246.5133 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2757  218.8746  250.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7428  217.9099  251.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9727  217.9919  253.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7364  219.0344  253.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2723  220.0016  252.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0347  219.9435  251.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6557  220.9720  250.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5710  220.9585  249.2191 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3645  221.9121  251.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7983  222.5963  250.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 24  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
95.35386534,-97.19712699,-177.01564553,102.23835597,84.17769887,-84.58688390
-0.91780306,179.13130594,206.04578486,219.02259664,248.26055932,2.89486988
-0.60302784,1.24445281

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443692/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.30753

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-4.09247

>  <SCORE.INTRA.DIHEDRAL>
-10.5181

>  <SCORE.INTRA.DIHEDRAL.0>
23.8243

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.16657

>  <SCORE.INTRA.VDW.0>
-1.8481

>  <SCORE.INTRA.norm>
-0.124014

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.251743

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010756

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  190.3904  212.7733  254.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4397  211.3806  254.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3467  210.5958  254.5096 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3321  211.1451  253.5399 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9768  209.9044  252.8554 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8115  208.6517  253.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4681  208.8424  254.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6573  209.8626  253.5657 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.5372  210.0987  252.3015 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.3466  211.4745  251.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9851  212.0255  252.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8886  212.3760  253.5263 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.2520  211.1337  254.3972 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.2856  210.6786  255.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4366  211.6958  256.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8444  212.8431  255.4120 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.6180  213.1730  253.8976 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.4736  212.5513  253.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4755  214.0466  253.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3944  213.2776  253.5202 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.9744  212.6961  255.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2940  213.6896  256.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4028  211.3376  255.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4482  214.0488  252.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.1534  214.3334  252.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3107  212.1445  252.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.2912  211.2132  252.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1639  209.0232  251.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  6  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 25  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-178.04972426,60.53534497,161.12610656,185.41979234,211.67874137,253.77589766
-0.19574448,-0.24716963,1.05951809

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443694/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.74079

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-5.65921

>  <SCORE.INTRA.DIHEDRAL>
-7.91542

>  <SCORE.INTRA.DIHEDRAL.0>
10.4387

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.7015

>  <SCORE.INTRA.VDW.0>
0.102994

>  <SCORE.INTRA.norm>
-0.202115

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0978855

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  202.1276  201.0487  248.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5823  200.2415  247.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5573  198.8637  247.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8190  198.4331  246.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4092  199.5659  245.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9610  200.7068  246.3416 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8523  202.0877  245.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9486  202.9807  245.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7117  204.3459  245.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4409  204.8110  245.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3768  203.9176  245.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5769  202.5889  245.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1558  206.2328  244.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0387  206.6290  244.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2358  207.0408  244.8626 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4051  202.6256  245.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6143  199.5977  244.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4999  197.0732  246.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8694  195.9547  246.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7026  195.9670  247.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3647  195.9030  248.8159 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3924  194.6292  246.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7174  194.5507  245.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7591  193.5230  246.9188 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3434  192.1695  246.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5337  191.2208  246.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1965  191.7043  247.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0672  207.9723  244.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2257  193.6254  247.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 28  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  3  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
-1.60457235,50.91139019,-179.23587667,179.13610914,2.10832679,135.52939190
200.81505347,199.41084176,246.22203461,-1.56783603,0.72566529,3.00218472

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443695/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.36991

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-5.03009

>  <SCORE.INTRA.DIHEDRAL>
-3.56943

>  <SCORE.INTRA.DIHEDRAL.0>
12.2264

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.24538

>  <SCORE.INTRA.VDW.0>
2.15341

>  <SCORE.INTRA.norm>
-0.1863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.198885

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000129

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  212.9733  210.9144  249.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8510  210.9829  250.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7038  209.7080  251.4104 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.5876  209.9368  252.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7910  209.1591  253.7667 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.1878  208.2530  253.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8012  209.7818  254.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2388  208.8459  255.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4298  208.8736  254.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6428  207.8260  253.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3243  208.5956  250.5586 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4128  207.3516  251.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5934  207.1418  252.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1578  206.2451  250.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6575  205.9674  249.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1901  204.6438  249.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8232  204.3662  249.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9030  205.4054  249.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3486  206.7234  249.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7148  207.0030  249.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8538  206.5152  248.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3436  207.4197  247.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9386  207.5599  246.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0560  206.7977  246.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5802  205.9000  247.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9851  205.7587  248.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
177.04162552,-149.50124227,167.40164206,-37.42827905,-165.64884459,71.55920520
11.23456271,-86.22458848,-130.88932480,-78.60598695,210.81737036,207.65337443
250.67942977,-1.63078345,-0.62124980,-2.06422039

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443696/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.36468

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616

>  <SCORE.INTRA>
-7.03532

>  <SCORE.INTRA.DIHEDRAL>
-1.5827

>  <SCORE.INTRA.DIHEDRAL.0>
10.2294

>  <SCORE.INTRA.POLAR>
-1.49989

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14433

>  <SCORE.INTRA.VDW.0>
-1.52967

>  <SCORE.INTRA.norm>
-0.281413

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.334587

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.167314

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  193.9832  217.2403  253.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9671  217.6607  254.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4115  216.7114  255.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4008  217.0785  255.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9526  218.3989  255.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5513  219.3616  255.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5446  218.9911  254.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8864  218.5852  256.8116 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9624  219.6415  256.5485 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.1638  219.4074  255.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9314  219.6726  257.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4915  220.7412  258.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5278  218.4221  258.1338 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5089  218.2009  259.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2237  218.7066  258.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1766  218.4852  259.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4133  217.7917  260.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6937  217.3228  261.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7477  217.4867  260.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0074  217.0044  260.7179 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0149  216.5149  259.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9162  216.3728  258.6944 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3190  216.1206  260.6554 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2428  214.6738  261.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4551  216.2894  259.8201 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7675  217.5538  259.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0231  218.7120  259.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4411  219.9463  259.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6175  220.0472  258.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3760  218.8917  258.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9516  217.6566  258.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0649  221.3671  257.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1680  217.6468  257.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.0763  216.7735  261.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-151.19428652,67.34419371,142.85270063,57.43787398,-35.48577141,87.47498791
63.39997887,-4.41394655,189.77576593,218.14677751,258.06755685,0.55279028
0.25519794,-1.03844986

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443697/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.91168

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-8.48832

>  <SCORE.INTRA.DIHEDRAL>
-5.11941

>  <SCORE.INTRA.DIHEDRAL.0>
18.8797

>  <SCORE.INTRA.POLAR>
-0.314177

>  <SCORE.INTRA.POLAR.0>
-0.199042

>  <SCORE.INTRA.REPUL>
6.52907e-05

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.86074

>  <SCORE.INTRA.VDW.0>
-1.79303

>  <SCORE.INTRA.norm>
-0.26526

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.15349

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  194.8266  226.5372  261.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7728  225.6914  260.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4931  224.3495  260.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4028  223.5823  259.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6114  224.1414  258.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8964  225.4697  259.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9858  226.2386  260.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6065  223.3846  258.2755 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8587  223.6559  256.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8082  223.1001  255.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6372  223.6617  254.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0124  222.0583  256.3572 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6094  222.1995  256.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9878  221.5369  257.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6247  221.7579  257.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8404  222.6282  257.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4518  223.2019  255.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8183  222.9995  255.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3721  222.9249  257.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1473  223.9614  258.9162 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.0161  225.4874  258.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2956  225.5573  258.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9714  226.7846  257.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3772  227.9503  258.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0985  227.8946  258.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4245  226.6716  259.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0625  221.8970  258.9043 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.8423  221.9831  260.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4654  220.8334  258.1325 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8315  221.8506  258.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0373  223.5869  260.6681 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.4859  221.3096  256.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
109.70081285,-76.16944433,-27.74817691,153.03420574,114.61129149,-144.79538490
71.30355066,60.08641811,-45.13913894,195.47845838,223.83688184,258.43258959
-2.76427060,0.23501992,-2.37872134

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443714/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29685

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-8.10315

>  <SCORE.INTRA.DIHEDRAL>
-0.746143

>  <SCORE.INTRA.DIHEDRAL.0>
7.48773

>  <SCORE.INTRA.POLAR>
-0.405103

>  <SCORE.INTRA.POLAR.0>
-0.475391

>  <SCORE.INTRA.REPUL>
-0.0541313

>  <SCORE.INTRA.REPUL.0>
0.0541313

>  <SCORE.INTRA.VDW>
-6.08207

>  <SCORE.INTRA.VDW.0>
-3.305

>  <SCORE.INTRA.norm>
-0.261392

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.203124

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  201.3705  200.0204  251.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3095  199.9456  250.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6596  199.6545  250.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5321  199.6145  249.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1193  199.8767  248.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7506  200.1306  248.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8601  200.1693  249.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0545  199.8425  247.3876 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5455  200.0222  246.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4950  199.9449  245.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7180  199.2488  245.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6056  199.1240  244.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2904  199.6873  243.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0850  200.3757  242.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7815  200.9189  241.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5862  201.6005  241.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6808  201.7522  242.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9703  201.2171  243.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1709  200.5144  243.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1025  198.6394  246.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9130  199.2641  250.0117 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.5405  199.9826  250.8032 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3483  198.2452  249.4592 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.4397  198.8814  247.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
176.32875461,23.02299595,-6.32178759,204.92650659,199.95600967,246.77929249
1.83052518,-0.35750044,1.78098865

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443715/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36003

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-1.03997

>  <SCORE.INTRA.DIHEDRAL>
-2.69396

>  <SCORE.INTRA.DIHEDRAL.0>
3.5863

>  <SCORE.INTRA.POLAR>
-0.0486385

>  <SCORE.INTRA.POLAR.0>
-0.781887

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.472382

>  <SCORE.INTRA.VDW.0>
-0.394193

>  <SCORE.INTRA.norm>
-0.0452159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.276523

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  203.6219  211.5883  254.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9966  210.1252  254.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2053  209.5560  253.4957 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5464  208.2436  253.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7010  207.5629  254.5019 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7713  207.7002  252.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8755  208.4271  251.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4383  209.8287  250.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2063  209.7106  250.1010 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0872  209.1364  250.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4463  207.7238  251.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9293  210.5635  249.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6443  212.2066  249.2256 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.0310  209.8685  247.8143 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5632  210.2785  246.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9602  209.6472  245.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4132  210.1077  244.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4639  211.1294  244.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0400  211.7057  245.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5880  211.2831  246.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8012  211.6630  242.6023 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.9934  208.5581  245.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6925  209.1046  247.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-179.99433437,-1.36991578,59.03522218,-66.72938884,166.08342364,203.71930541
210.06153136,248.94829299,1.13751621,-1.13035825,1.37480854

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443716/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19543

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-4.20457

>  <SCORE.INTRA.DIHEDRAL>
-6.8944

>  <SCORE.INTRA.DIHEDRAL.0>
8.46758

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.757371

>  <SCORE.INTRA.VDW.0>
0.0544124

>  <SCORE.INTRA.norm>
-0.191117

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.28161

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000189

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  205.0586  193.2539  250.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5033  193.2355  248.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4419  194.0877  248.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9239  194.9583  249.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5037  194.9868  250.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5658  194.1349  250.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7985  195.8735  249.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7505  195.4252  248.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6098  194.0368  247.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6447  193.6565  247.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6916  194.5992  246.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6776  195.8758  246.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6572  196.3826  247.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5207  197.5367  248.2729 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4660  193.9644  245.2213 Br  0  0  0  0  0  0  0  0  0  0  0  0
  202.0196  197.1602  249.5505 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0570  197.7019  250.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9511  197.2593  249.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.3540  198.0070  249.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
42.21689574,-123.00032282,-79.91610330,200.49546603,194.91743869,247.81538188
-0.38531641,0.53492554,-2.61234581

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443717/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.52338

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-1.87662

>  <SCORE.INTRA.DIHEDRAL>
-6.85669

>  <SCORE.INTRA.DIHEDRAL.0>
13.4669

>  <SCORE.INTRA.POLAR>
0.0896891

>  <SCORE.INTRA.POLAR.0>
-0.872124

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.24678

>  <SCORE.INTRA.VDW.0>
-1.18614

>  <SCORE.INTRA.norm>
-0.110389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.324905

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.033799

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  201.0096  208.1153  246.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7833  206.8093  246.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1257  205.8802  245.3336 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6985  204.6430  245.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6434  204.2637  245.9513 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8960  203.7658  244.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4316  204.5114  243.2025 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4142  204.9803  242.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6023  204.7159  242.5145 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8470  205.9829  241.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5112  207.1822  242.1314 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3641  208.2419  242.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5198  208.3481  241.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6082  209.3008  242.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9736  210.5968  243.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0037  211.4062  243.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7170  210.9025  244.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3742  209.5821  243.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3443  208.8077  243.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2868  207.4366  242.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3158  206.7147  242.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-179.52273195,5.02329309,38.12486462,64.90717546,5.69362051,70.91739473,93.51862063
200.73303577,207.14252303,243.62744131,-2.82146279,1.21519768,-2.06066635

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443718/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45747

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.590476

>  <SCORE.INTRA>
-5.94253

>  <SCORE.INTRA.DIHEDRAL>
-7.62684

>  <SCORE.INTRA.DIHEDRAL.0>
12.9744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.12911

>  <SCORE.INTRA.VDW.0>
-0.0269223

>  <SCORE.INTRA.norm>
-0.282978

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.307499

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066804

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  206.8533  194.9398  252.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9389  195.9038  251.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9545  195.8424  250.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8035  196.6226  250.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7645  196.5185  249.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8744  195.6701  248.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9976  194.8753  248.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0320  194.9641  249.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2509  193.9975  247.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5378  193.7220  245.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2239  194.2271  245.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6229  195.1718  245.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7905  193.4236  244.3757 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6676  192.3934  244.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5545  191.4809  243.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4094  191.5011  242.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4594  191.5178  241.2102 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4869  190.2949  242.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0832  189.8373  243.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5892  189.6311  241.6282 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1356  189.9330  240.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7679  188.5586  239.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9045  187.6949  240.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2811  188.3437  241.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1472  192.4821  244.9221 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.4742  193.6698  243.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5008  192.6602  243.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2088  192.9379  243.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8837  194.2193  242.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8398  195.2289  242.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1278  194.9595  243.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5398  197.5004  251.3737 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6368  198.2804  251.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0948  199.0553  250.8028 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.1527  199.1381  252.7572 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  3  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <CHROM.1>
92.43081465,39.50660611,-1.21097134,-121.87556663,26.43633702,61.57159988
203.91944159,193.70028472,245.86192833,-1.34098082,0.52551405,-2.31284089

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443719/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27246

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325714

>  <SCORE.INTRA>
-3.12754

>  <SCORE.INTRA.DIHEDRAL>
-4.59225

>  <SCORE.INTRA.DIHEDRAL.0>
21.6593

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.831409

>  <SCORE.INTRA.VDW.0>
-0.672263

>  <SCORE.INTRA.norm>
-0.0893582

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.236356

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000365

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  202.6141  205.4769  252.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7633  205.0876  251.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8369  204.3108  252.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0245  203.8981  251.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6635  202.9445  250.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4806  201.5773  250.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1183  200.7068  249.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9313  201.1975  248.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1894  202.5448  247.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5250  203.4153  248.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5207  200.2932  247.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6429  200.7195  246.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8162  200.1922  244.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0081  200.6327  243.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9909  201.5698  244.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7974  202.0638  245.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6053  201.6235  246.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1270  202.0353  243.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4063  202.4208  242.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2755  200.1465  242.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5143  199.7719  241.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  3  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <CHROM.1>
-179.75996977,-63.39943367,-78.86176515,143.84770270,143.74372080,203.76384631
202.07407968,247.25105345,1.22703411,-0.67365600,1.00578624

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443720/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2015

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
3.88023

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.485784

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000248

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  212.5822  190.4443  240.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8016  191.3178  242.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6835  191.9232  242.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5834  191.9465  243.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4747  192.5329  244.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4389  193.1242  243.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5899  193.1296  242.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6944  192.5364  241.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2587  193.7249  244.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1893  194.2682  243.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1375  194.8946  244.3698 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1314  194.9612  245.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1699  194.3340  246.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2420  193.7434  245.8421 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2365  194.3068  247.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7252  195.3722  248.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7438  195.3463  250.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2439  194.2402  250.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7823  193.1860  250.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8046  193.2388  248.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2010  194.3208  252.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7203  193.1645  252.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0505  195.5960  246.3473 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8335  194.8328  246.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1392  193.6534  247.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9350  193.7643  248.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2810  192.7193  249.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8250  191.5461  249.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0032  191.4099  247.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6584  192.4558  246.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8429  196.4720  245.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
136.01276049,-177.22742280,82.62385381,-31.81408560,134.47516521,61.43556303
94.45414635,207.53764140,193.38990162,246.57626193,-0.89864986,-0.34685487
1.60647651

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443721/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-5.72233

>  <SCORE.INTRA.DIHEDRAL>
1.42321

>  <SCORE.INTRA.DIHEDRAL.0>
6.32696

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.43393

>  <SCORE.INTRA.VDW.0>
2.84247

>  <SCORE.INTRA.norm>
-0.190744

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.222589

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  195.1806  217.6497  256.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4726  216.9551  258.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4255  215.9023  258.6225 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8825  215.0543  259.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1370  214.1473  259.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9768  213.1109  258.5414 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2103  212.1272  258.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6460  212.2391  258.5441 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.9169  212.1247  257.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4816  212.1748  257.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4822  211.3807  259.0715 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.9969  211.1436  259.5308 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.5243  211.5334  260.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5404  212.2126  261.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3190  212.8473  261.1340 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.5890  211.8454  260.2172 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2667  212.3834  259.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3455  212.6883  260.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9761  213.7715  261.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3112  214.9060  261.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8521  216.0334  262.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2177  217.0581  262.7797 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2134  215.8444  263.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0755  214.9352  262.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4055  213.5514  262.1928 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.3582  212.7525  263.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8912  209.5887  259.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0137  216.5420  258.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9097  215.4756  258.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9283  217.4693  260.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  1  6  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  6  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
170.23976088,-62.87001721,166.99760220,-58.30685029,-172.52916080,132.90747282
192.84114276,213.87771365,260.15491437,-0.22128721,0.65674290,-0.05630692

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443722/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.63389

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-6.76611

>  <SCORE.INTRA.DIHEDRAL>
-0.211768

>  <SCORE.INTRA.DIHEDRAL.0>
5.56626

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.66022

>  <SCORE.INTRA.VDW.0>
3.28985

>  <SCORE.INTRA.norm>
-0.225537

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.154463

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.036088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  216.8335  184.0199  250.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7259  184.4087  251.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6136  183.4220  252.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3891  183.6885  253.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7766  183.5419  255.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4920  183.9412  256.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8455  184.2910  256.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4635  184.3376  254.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7381  184.0460  253.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8139  183.9500  257.4892 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9918  185.1503  258.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2279  185.0709  259.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3971  183.2307  255.2158 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9113  183.9299  255.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.0015  183.0983  254.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.82885251,134.10476188,-123.82793397,-132.27586843,-179.44612632,218.09816151
184.08442040,255.05724731,1.61396040,-0.10292921,-1.68106494

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443723/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.01174

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-2.38826

>  <SCORE.INTRA.DIHEDRAL>
-0.187679

>  <SCORE.INTRA.DIHEDRAL.0>
5.85228

>  <SCORE.INTRA.POLAR>
-0.116406

>  <SCORE.INTRA.POLAR.0>
-0.0116835

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.89864

>  <SCORE.INTRA.VDW.0>
2.4461

>  <SCORE.INTRA.norm>
-0.183713

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.616287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 40  0  0  0  0  0  0  0  0999 V2000
  202.1521  232.1953  257.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1642  230.9154  256.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7535  230.5307  256.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7636  229.2465  255.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3488  228.8654  255.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3546  227.5785  254.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6812  226.3784  255.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6996  225.0886  254.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0292  223.8938  255.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0530  222.6120  254.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1388  221.8339  254.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1474  220.6113  253.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2126  219.8200  253.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2657  218.5673  252.5539 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4001  218.6477  251.4430 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8173  218.5776  251.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4928  219.7370  252.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7582  219.6510  252.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3695  218.4052  253.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7309  217.2408  252.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4693  217.3395  252.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3521  215.9443  252.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5052  215.7233  253.5088 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5822  214.3963  253.3995 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6107  213.7962  252.7048 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8075  214.7870  252.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2794  217.6178  250.4504 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4151  217.0812  253.7029 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.0184  216.0271  253.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3155  215.2750  251.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5213  214.4316  252.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7731  214.9016  251.9788 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4666  213.7619  252.1756 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7150  212.6613  252.3464 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4654  213.0768  252.2632 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3327  213.8620  253.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2960  216.7664  250.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4723  213.7312  252.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 26  2  0  0  0  0
 27 37  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 35  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
179.89822814,179.67457186,-179.74826269,70.65411293,-179.53603620,179.92074183
179.96692654,120.19067234,179.50629240,120.34033465,70.01914209,125.58679867
-87.93375621,-56.73137244,6.21491714,77.61567390,58.08875076,-78.85341340
203.21869716,219.86254238,253.43536470,-1.88648223,0.06435736,-2.88957868

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443724/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.6996

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-8.70043

>  <SCORE.INTRA.DIHEDRAL>
0.177918

>  <SCORE.INTRA.DIHEDRAL.0>
5.94803

>  <SCORE.INTRA.POLAR>
-2.29972

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.970342

>  <SCORE.INTRA.VDW.0>
-4.38587

>  <SCORE.INTRA.norm>
-0.248584

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.391416

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000283

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  196.0561  214.3648  251.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5096  213.3981  252.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6924  213.9224  253.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4650  213.2674  253.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5168  213.7050  254.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7702  214.8592  255.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0103  215.5452  255.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0392  214.9766  254.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3412  215.4500  254.7896 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1290  214.9409  255.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6283  215.3899  257.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7249  214.5733  258.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2613  214.9485  259.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6874  216.1461  259.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5508  216.9807  259.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0074  216.6038  257.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1039  216.6409  261.5802 Br  0  0  0  0  0  0  0  0  0  0  0  0
  194.0251  216.8475  256.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7478  217.9700  255.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2686  217.8739  254.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7006  217.7941  253.3873 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8492  219.0853  256.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4728  220.0835  256.5877 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2766  218.8675  258.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2314  219.8197  259.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6561  219.4333  260.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6289  220.3181  261.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1484  221.6067  261.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6848  222.0344  260.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7232  221.1220  259.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2089  223.4506  259.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6696  223.7732  258.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1293  224.2178  260.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9770  217.9335  258.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  3  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
130.18090196,-148.37423644,-99.84105288,-66.09723218,93.20140272,-177.63653713
-177.85773266,-179.36286786,195.03617809,217.48566536,257.81719404,-0.33000881
1.54853872,-0.47048050

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443725/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.38659

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-10.0134

>  <SCORE.INTRA.DIHEDRAL>
-11.1801

>  <SCORE.INTRA.DIHEDRAL.0>
23.0743

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.42337

>  <SCORE.INTRA.VDW.0>
-0.863595

>  <SCORE.INTRA.norm>
-0.303437

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.102624

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  215.3859  197.9108  248.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9899  196.6331  248.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3065  195.8910  249.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8412  194.6939  250.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0678  194.2038  249.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7569  194.9511  248.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2201  196.1556  248.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6426  192.9925  250.0396 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0745  192.1328  250.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9833  192.2973  251.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8998  190.8861  251.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5910  189.9141  250.2761 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1798  190.1131  249.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8631  191.0942  248.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7774  189.0941  248.0402 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.2949  187.7087  248.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5300  186.8368  247.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9366  185.7649  247.0364 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3303  187.5039  247.1641 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3036  188.8201  247.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3717  186.9999  246.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9876  187.1436  246.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0726  186.5042  245.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5081  185.7255  244.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8730  185.5880  244.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7981  186.2505  245.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3381  184.6761  243.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3991  187.9767  247.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5316  192.7311  249.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
1.08987412,-83.77532391,76.70942123,-5.10619959,-66.51539633,142.63639110
216.36670509,190.21944886,248.02126353,1.38420751,-0.77091073,0.27777616

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443727/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.39185

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-8.00815

>  <SCORE.INTRA.DIHEDRAL>
-14.0432

>  <SCORE.INTRA.DIHEDRAL.0>
22.4576

>  <SCORE.INTRA.POLAR>
-0.421501

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.446543

>  <SCORE.INTRA.VDW.0>
0.105654

>  <SCORE.INTRA.norm>
-0.286005

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.121137

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000488

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  217.4543  186.6358  239.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2031  187.3884  239.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2161  188.7843  239.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0499  189.5000  239.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8291  188.8448  240.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8397  187.4381  240.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0097  186.7205  239.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5707  189.6032  240.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5880  190.9588  240.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4507  191.8731  240.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3030  192.9701  239.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2732  193.9012  239.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3518  193.7370  240.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4758  192.6574  241.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5367  191.7566  241.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7412  190.7634  242.6522 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.7747  190.8648  243.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8540  189.9160  242.8102 O   0  5  0  0  0  0  0  0  0  0  0  0
  211.3513  188.8842  240.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3617  188.2968  240.7412 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  3  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <CHROM.1>
1.95728012,-135.84770734,212.44391141,190.05955353,240.71467213,-0.51473028
0.55075666,-0.38104665

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443728/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.63552

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-4.76448

>  <SCORE.INTRA.DIHEDRAL>
-10.1545

>  <SCORE.INTRA.DIHEDRAL.0>
16.7405

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.312748

>  <SCORE.INTRA.VDW.0>
-1.14538

>  <SCORE.INTRA.norm>
-0.238224

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.131776

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  211.5075  187.6177  252.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5443  188.7072  252.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8489  189.1424  250.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4293  188.5498  249.9417 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2803  186.3440  251.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1123  185.6427  252.5082 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0499  185.6679  251.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8583  186.2577  250.5961 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9439  185.0373  252.2189 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6026  186.7716  250.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9724  186.2203  250.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9932  184.5765  253.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0724  185.0349  251.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <CHROM.1>
-66.65261929,-78.99264897,83.82707597,107.58842824,210.02021937,186.98263206
251.64302254,-0.77998625,0.67070669,2.38097475

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443729/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49906

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-2.90094

>  <SCORE.INTRA.DIHEDRAL>
0.53835

>  <SCORE.INTRA.DIHEDRAL.0>
3.50283

>  <SCORE.INTRA.POLAR>
-0.894622

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.128402

>  <SCORE.INTRA.VDW.0>
-0.585078

>  <SCORE.INTRA.norm>
-0.322327

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.722117

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012912

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  201.1856  199.4760  256.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1489  199.2050  257.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0435  199.7724  258.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9859  200.6386  258.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0126  200.8806  257.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1202  200.3136  256.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7912  201.2152  260.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7611  202.3248  260.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7155  203.5041  259.9730 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5037  203.6105  258.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1794  203.0241  257.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7435  203.9197  256.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5754  205.0403  256.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2113  205.5512  257.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1180  204.8742  258.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7829  205.5951  255.0724 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0764  205.3126  254.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2628  206.1218  253.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3434  205.6215  252.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9973  206.0136  252.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1380  205.5731  251.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6158  204.7417  250.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9566  204.3610  250.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8195  204.8019  251.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0537  203.1996  255.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8419  203.1523  255.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9574  202.4683  254.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6854  202.4441  253.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7085  202.1570  252.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9792  201.8815  252.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2128  201.8323  254.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1860  202.1076  255.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2830  202.1858  256.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1915  201.6351  257.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4913  201.5996  254.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4674  202.7839  252.7462 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7420  203.7163  259.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0185  205.3584  254.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.5499  201.6084  255.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8152  202.8237  253.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 33  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 36  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
>  <CHROM.1>
72.42366719,59.73844957,-84.65186268,80.45260063,-104.54004164,-171.94658341
-70.69841724,80.07781847,-13.12380877,178.49385229,202.34031507,203.02358030
255.45831611,2.04204481,1.26481312,1.53013061

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443730/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.05978

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-10.3402

>  <SCORE.INTRA.DIHEDRAL>
-1.04125

>  <SCORE.INTRA.DIHEDRAL.0>
4.70059

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.81959

>  <SCORE.INTRA.VDW.0>
-0.134886

>  <SCORE.INTRA.norm>
-0.287228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.084994

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000515

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  214.4499  198.3550  255.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9192  198.3750  255.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1592  198.4075  253.8453 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.5729  199.1587  253.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5648  198.7831  253.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9326  200.2064  253.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6669  197.1358  253.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6749  197.2545  251.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4577  197.7814  250.9975 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3608  199.1889  250.5791 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.0041  199.7139  251.1262 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2259  198.4388  251.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0302  198.2995  250.9312 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1986  197.2803  251.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9145  196.1402  251.5570 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1476  200.1737  252.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2253  200.0665  253.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9676  200.7218  253.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1448  201.0572  254.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0674  201.5610  255.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8390  201.7365  254.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6293  201.4067  253.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7046  200.8965  252.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8823  202.2651  255.5894 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5239  202.4122  256.8839 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.9993  201.9846  256.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3756  203.8564  257.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4474  199.2789  249.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2564  200.2340  248.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2982  200.3211  247.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5573  199.4449  246.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7665  198.4760  246.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7088  198.3947  248.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2587  201.5442  246.2841 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  6  0  0  0
 11 12  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  6  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
49.54056768,-64.63271289,169.87296679,-89.14730660,99.56865119,-134.82242198
-2.11556019,176.31935458,213.46742848,199.79699660,252.02037499,-2.20853923
0.55398466,-1.47430086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443731/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.20341

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-5.19659

>  <SCORE.INTRA.DIHEDRAL>
3.2377

>  <SCORE.INTRA.DIHEDRAL.0>
2.53715

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71544

>  <SCORE.INTRA.VDW.0>
0.164985

>  <SCORE.INTRA.norm>
-0.157472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.248588

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000446

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  216.4494  185.4090  247.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1935  186.6601  248.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4033  186.7527  249.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1084  188.3138  250.2324 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.6766  188.9210  248.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7583  187.9248  247.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4031  188.1088  246.3876 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8905  187.1054  245.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6429  185.9356  245.8025 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6255  187.7472  244.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0114  189.0728  244.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4893  189.3799  245.7260 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8756  189.9251  243.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2892  191.2742  243.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1324  192.0535  242.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5605  191.4970  241.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1545  190.1594  241.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3057  189.3526  242.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8985  188.0630  242.0812 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0647  187.2664  243.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2192  190.2918  248.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5669  190.6979  247.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5840  191.0863  249.5615 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1596  192.4453  249.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8412  190.0440  246.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 20  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-159.44119455,27.79786966,-179.75088809,215.19708297,188.95637572,246.05683491
-0.08710961,1.38334393,-2.86565615

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443732/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.71468

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-16.1147

>  <SCORE.INTRA.DIHEDRAL>
-46.6996

>  <SCORE.INTRA.DIHEDRAL.0>
69.3352

>  <SCORE.INTRA.POLAR>
0.240815

>  <SCORE.INTRA.POLAR.0>
-0.689317

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
6.41634

>  <SCORE.INTRA.VDW.0>
-0.245784

>  <SCORE.INTRA.norm>
-0.671445

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.321445

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  219.7859  186.7915  248.7477 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1856  185.8253  248.4311 P   0  0  0  0  0  0  0  0  0  0  0  0
  221.8730  187.1909  248.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2033  185.4089  250.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5853  184.8591  248.1146 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.8152  187.2513  247.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.5200  186.0625  250.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  7  1  0  0  0  0
M  CHG  1   5  -1
M  END
>  <CHROM.1>
63.04953222,-10.12712783,221.28078592,185.99919035,248.69806913,2.75140342
0.57814043,-0.67989211

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443733/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
-0.045209

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0131756

>  <SCORE.INTRA.VDW.0>
-0.013723

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.617204

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  4  3  0  0  0  0  0  0  0  0999 V2000
  192.2204  206.2490  257.3981 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4576  205.9405  255.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8189  205.5706  257.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8591  206.6189  255.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99778018,192.33899198,206.09475104,256.69791088,1.72344869,-0.85450630
1.54518315

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443735/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
2.7

>  <SCORE.INTRA>
-2.61343e-09

>  <SCORE.INTRA.DIHEDRAL>
-5.32067e-09

>  <SCORE.INTRA.DIHEDRAL.0>
6.6716e-09

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
4.69107e-11

>  <SCORE.INTRA.VDW.0>
-0.0375037

>  <SCORE.INTRA.norm>
-1.30671e-09

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
2

>  <SCORE.norm>
2.7

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.172356

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  212.2873  185.4679  249.4737 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.4998  185.2345  247.9916 S   0  0  1  0  0  0  0  0  0  0  0  0
  213.9024  184.7992  247.6161 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1276  183.7924  247.3225 S   0  0  1  0  0  0  0  0  0  0  0  0
  211.4560  182.4540  247.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7144  184.2778  247.5744 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  1  0  0  0
  4  6  1  0  0  0  0
M  CHG  2   1  -1   6  -1
M  END
>  <CHROM.1>
-66.96406443,211.82683336,184.38172861,247.90548516,0.64340324,0.04818425
0.47747589

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443737/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.353

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-0.0469952

>  <SCORE.INTRA.DIHEDRAL>
-0.0124312

>  <SCORE.INTRA.DIHEDRAL.0>
0.033758

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0407796

>  <SCORE.INTRA.VDW.0>
-0.244564

>  <SCORE.INTRA.norm>
-0.00783253

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.05883

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.116673

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  208.1553  207.2846  252.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1939  208.6859  252.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1375  209.1831  251.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8212  209.2938  251.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8200  209.8475  250.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1298  210.3291  249.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4342  210.2740  249.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4311  209.7053  250.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0404  209.6730  249.3916 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.8897  211.0162  248.7354 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.3515  208.8563  253.3885 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
69.54587271,206.40682844,209.55426285,250.74399843,0.79558349,-0.24075236
2.01187365

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443754/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.00005

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.399949

>  <SCORE.INTRA.DIHEDRAL>
1.26449

>  <SCORE.INTRA.DIHEDRAL.0>
2.8055

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.03219

>  <SCORE.INTRA.VDW.0>
0.805992

>  <SCORE.INTRA.norm>
-0.036359

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.545459

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001589

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 38  0  0  0  0  0  0  0  0999 V2000
  214.4444  186.8823  246.1366 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4953  186.6592  247.3563 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.0512  188.0662  247.8627 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3876  188.8602  246.6788 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.2494  188.9099  245.4048 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6888  187.5089  244.9701 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.5616  186.6814  244.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9292  186.9895  243.0440 P   0  0  0  0  0  0  0  0  0  0  0  0
  211.4968  185.5303  242.9150 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6528  187.7529  243.7061 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2968  187.2977  241.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5363  189.5982  244.3875 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3138  190.0303  243.0601 P   0  0  0  0  0  0  0  0  0  0  0  0
  214.4598  189.1785  242.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1137  190.1663  242.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6819  191.5622  243.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0790  188.3284  246.4119 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1512  188.0193  248.9816 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6090  189.4432  249.5064 P   0  0  0  0  0  0  0  0  0  0  0  0
  212.4892  190.6191  249.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1399  189.5691  248.8933 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2991  189.2311  251.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1476  185.7716  248.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1337  185.1321  249.3800 P   0  0  0  0  0  0  0  0  0  0  0  0
  213.4808  183.7566  249.8376 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1420  186.2095  250.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6127  185.2600  248.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6391  187.5920  246.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8427  188.2814  244.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.5233  188.2410  241.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4002  190.6182  241.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0781  191.9630  242.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4943  188.5135  247.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6521  190.3553  249.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.8898  190.0306  251.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8138  187.0692  250.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0636  185.0247  249.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1675  187.1561  247.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  1  0  0  0
  2  3  1  0  0  0  0
  2 23  1  1  0  0  0
  3  4  1  0  0  0  0
  3 18  1  1  0  0  0
  4  5  1  0  0  0  0
  4 17  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  6  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 36  1  0  0  0  0
 27 37  1  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <CHROM.1>
58.11979885,-163.57016866,-177.45303489,66.65310177,168.44104569,-161.62859217
149.23393180,36.99030678,35.11917051,29.29701682,167.32001370,-173.66587029
-25.91232400,173.96231798,-175.00389367,147.47921572,61.45587595,-168.51620140
212.59467688,187.90054695,246.31681465,-1.63997633,1.38876575,-1.23730412

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443755/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.721463

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-14.1215

>  <SCORE.INTRA.DIHEDRAL>
-0.100237

>  <SCORE.INTRA.DIHEDRAL.0>
11.8408

>  <SCORE.INTRA.POLAR>
-3.1147

>  <SCORE.INTRA.POLAR.0>
-1.14349

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.48136

>  <SCORE.INTRA.VDW.0>
-3.6239

>  <SCORE.INTRA.norm>
-0.504338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
-0.0257666

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047123

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  199.6042  204.1379  254.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8248  204.9429  253.6950 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.8427  204.6912  252.1874 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3790  203.2254  252.0745 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6685  202.9037  253.3433 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5495  202.8872  250.8190 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1136  201.4174  250.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1687  201.1711  251.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3602  203.7019  250.7729 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9677  205.5918  251.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0048  204.4200  254.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7317  202.5417  253.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9308  200.2245  251.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6373  204.6342  250.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2642  206.5058  251.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7455  204.9786  254.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  1  0  0  0
  3  4  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  6  0  0  0
  5 12  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <CHROM.1>
-178.81270241,61.31246398,-179.55184037,67.80950996,54.57283334,-179.66046673
199.83127060,203.55930259,252.30507071,-0.14774763,0.98514617,2.45716554

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443756/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.54613

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-8.94613

>  <SCORE.INTRA.DIHEDRAL>
-5.84847

>  <SCORE.INTRA.DIHEDRAL.0>
6.58311

>  <SCORE.INTRA.POLAR>
-1.26663

>  <SCORE.INTRA.POLAR.0>
-0.0913902

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71535

>  <SCORE.INTRA.VDW.0>
0.93995

>  <SCORE.INTRA.norm>
-0.813285

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
-0.140557

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010914

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  207.5801  192.5703  240.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6702  191.5754  240.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8284  191.2022  238.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4596  191.0115  241.3486 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.5696  191.9591  241.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7396  192.0427  240.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3679  190.6686  240.5851 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3163  189.6063  240.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0898  189.6133  241.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3970  190.7870  239.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0912  190.2406  241.7441 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4717  190.1472  242.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  6  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  6  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-80.86373393,61.99505883,210.69855437,191.01550418,240.63333133,3.13237566
0.29914857,-1.87508269

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443757/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.8108

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.589203

>  <SCORE.INTRA.DIHEDRAL>
0.167603

>  <SCORE.INTRA.DIHEDRAL.0>
0.271662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.673004

>  <SCORE.INTRA.VDW.0>
1.31616

>  <SCORE.INTRA.norm>
-0.0535639

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.528254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001245

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  197.1484  203.9555  241.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5135  204.5512  242.5677 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4698  204.5469  243.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8308  205.1164  245.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7819  206.1134  245.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9340  207.5001  245.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5915  208.2575  244.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9588  208.3824  245.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4266  207.2903  243.7616 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0811  205.9191  242.2733 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2848  206.7942  243.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8559  206.5931  242.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2575  206.1667  242.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-178.81015011,-89.51295952,-133.61377967,73.49382333,60.97664620,-57.10570377
197.38529866,206.19325174,244.00934909,2.66484711,1.25806043,2.83056723

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443758/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.45348

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-1.94652

>  <SCORE.INTRA.DIHEDRAL>
7.11954

>  <SCORE.INTRA.DIHEDRAL.0>
0.207281

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.10629

>  <SCORE.INTRA.VDW.0>
2.06307

>  <SCORE.INTRA.norm>
-0.194652

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.845348

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  207.5217  195.3398  247.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4345  196.3260  248.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4034  197.2384  248.8919 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5171  197.1539  248.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6974  196.2044  247.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6739  195.2902  246.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8295  194.0815  245.7068 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.5925  198.1633  248.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6365  198.1875  247.7223 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3357  199.0653  249.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4613  199.0176  249.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0224  199.7715  249.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
179.98593912,209.25465167,196.40707475,247.58560679,1.99448960,-0.43534098
-2.39579961

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443759/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-3.50374e-06

>  <SCORE.INTRA.DIHEDRAL>
-6.89976e-06

>  <SCORE.INTRA.DIHEDRAL.0>
8.48921e-06

>  <SCORE.INTRA.POLAR>
-1.15102e-07

>  <SCORE.INTRA.POLAR.0>
-0.041157

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
3.3749e-07

>  <SCORE.INTRA.VDW.0>
-0.145536

>  <SCORE.INTRA.norm>
-3.50374e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.64

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  206.4634  189.6085  240.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5645  190.0422  241.3322 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.1183  191.3109  241.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3370  191.6895  243.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2798  190.5311  244.2850 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5631  189.3591  243.5609 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3674  188.8928  242.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1390  188.2021  244.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4757  187.0388  244.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2831  188.5655  245.4347 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6926  190.2214  244.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2546  191.4399  245.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7141  189.0303  245.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9856  187.8310  246.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
61.25000005,-123.36461465,178.67816916,205.46856630,189.65069466,243.69167451
1.04538673,-0.91264251,-1.53861745

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443760/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.99644

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.403558

>  <SCORE.INTRA.DIHEDRAL>
-0.0248573

>  <SCORE.INTRA.DIHEDRAL.0>
0.654094

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.830427

>  <SCORE.INTRA.norm>
-0.0310429

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.538188

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001873

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  204.9964  190.9501  246.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8447  191.7077  245.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4437  192.9059  246.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1226  192.1592  244.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3562  192.6880  243.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5473  193.1650  242.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5227  193.1149  241.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2885  192.5796  241.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0939  192.1116  243.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8333  193.6714  240.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2173  194.9116  239.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5755  195.9341  240.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3540  196.8667  240.8088 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8680  195.6298  242.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2398  196.2663  243.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2952  196.4581  244.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7708  196.5681  245.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1421  196.4908  245.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0690  196.5791  244.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6146  196.3854  243.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5115  195.8211  247.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6749  195.7154  248.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1757  194.7526  249.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2507  193.9720  248.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5716  194.7732  247.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3016  196.2471  248.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5670  196.3075  248.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8682  196.5542  246.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-40.96431858,-107.73201854,58.08280034,106.69192370,167.19642330,153.14730256
204.49025234,194.68616399,244.59095841,3.06912183,1.56175501,-0.06141486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443761/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.51014

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-2.88986

>  <SCORE.INTRA.DIHEDRAL>
1.53238

>  <SCORE.INTRA.DIHEDRAL.0>
7.55736

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.65605

>  <SCORE.INTRA.VDW.0>
0.403513

>  <SCORE.INTRA.norm>
-0.103209

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.303933

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001967

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  215.6895  187.4253  240.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7776  186.5338  241.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0628  185.4996  240.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1890  184.6825  241.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0055  184.8996  242.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7540  185.9136  243.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6215  186.7285  242.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0821  184.1899  243.7604 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6849  184.6247  243.5389 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.9598  183.5661  244.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7193  182.4621  244.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9934  182.7941  243.8505 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4922  181.1858  245.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3418  180.3082  245.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2363  181.1306  245.5789 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9109  179.9260  246.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7623  184.1538  244.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9126  183.5184  245.5073 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8785  185.5182  244.7032 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1312  185.8445  244.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6786  186.9435  244.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9025  186.5079  245.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6954  186.1227  245.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7227  187.0563  246.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9407  188.4024  245.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1276  188.8158  245.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1093  187.8758  244.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7434  189.5543  246.1965 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.7569  182.3016  244.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-75.44833852,-172.90942948,179.05326520,1.53881444,209.96387864,185.24480096
244.34967743,-0.32394742,0.46901041,-0.21063541

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443762/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.56149

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-0.838511

>  <SCORE.INTRA.DIHEDRAL>
-2.20547

>  <SCORE.INTRA.DIHEDRAL.0>
2.93372

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.264224

>  <SCORE.INTRA.VDW.0>
-0.426253

>  <SCORE.INTRA.norm>
-0.0299468

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.305767

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000227

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 27  0  0  0  0  0  0  0  0999 V2000
  207.3466  189.9468  244.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0740  190.6660  244.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3942  191.8157  245.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1734  192.6097  246.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0958  191.8344  247.1672 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6939  191.2726  248.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7792  190.3623  249.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8242  192.7427  247.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9845  194.0043  248.1350 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8982  194.0294  249.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8515  194.8801  250.4928 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2642  195.0001  251.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9686  195.9965  252.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2859  194.2418  250.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0660  194.3591  249.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4509  193.6974  249.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2015  193.9376  247.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7321  195.2183  247.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6147  195.7337  247.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9194  195.9093  246.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6463  196.8928  247.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7339  197.9734  248.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3591  199.0632  247.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5249  200.0652  247.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0519  199.9893  249.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4131  198.9085  250.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2440  197.9103  249.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-179.79734696,61.33142132,62.42814557,-173.36356214,-63.50905601,-84.76691637
139.18281337,90.17043234,164.23666081,-170.23534400,71.02630301,-178.42783767
-176.04898609,-89.57207229,-58.00813100,-77.43983282,204.28032545,194.68977919
248.34092955,0.04828949,1.18119216,-1.24737088

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443763/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.7095

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.792593

>  <SCORE.INTRA>
-9.69053

>  <SCORE.INTRA.DIHEDRAL>
-0.172957

>  <SCORE.INTRA.DIHEDRAL.0>
8.373

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.60405

>  <SCORE.INTRA.VDW.0>
2.19934

>  <SCORE.INTRA.norm>
-0.358908

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.433684

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.075158

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 52 51  0  0  0  0  0  0  0  0999 V2000
  182.4150  212.5468  263.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4402  213.5833  263.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9264  214.9881  263.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3034  215.7204  262.6328 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.0224  215.3740  264.1231 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.6179  216.7150  264.0308 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.1454  217.1908  265.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3562  216.0196  266.1204 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.0299  217.0083  267.7917 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.9750  215.7095  268.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2479  215.2018  267.9909 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8936  214.3304  266.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1841  214.6490  265.6182 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1912  213.1893  267.0762 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7199  212.2583  266.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7950  212.9648  265.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6412  213.2913  265.3369 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3644  213.1931  263.8816 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0878  216.3223  267.5453 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4550  216.1861  267.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0639  215.7485  266.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1895  216.4785  268.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0694  217.9591  269.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6613  218.4240  269.5322 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2428  217.8512  270.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1565  218.5260  271.9187 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9792  216.5265  270.8818 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6722  219.9069  269.6001 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.7602  216.6215  262.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2740  215.5488  262.6773 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1731  217.8201  262.4676 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2673  217.9211  261.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8631  217.2898  260.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7124  216.0903  260.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6654  218.1880  259.1984 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.5710  212.5713  261.5822 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.4569  213.7461  261.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0211  214.7670  260.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7771  213.5474  261.3376 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1868  211.2917  261.1528 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.5220  214.6978  264.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.8438  213.0552  268.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.7796  213.6353  263.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.6562  216.9799  266.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7186  216.1426  271.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7497  220.2103  269.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.7111  220.2692  268.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.7473  218.6942  262.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.4270  217.7946  258.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.3556  214.3161  261.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.2794  211.3150  260.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.5068  210.5441  261.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  1  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 48  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 49  1  0  0  0  0
 36  1  1  1  0  0  0
 36 37  1  0  0  0  0
 36 40  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 50  1  0  0  0  0
 40 51  1  0  0  0  0
 40 52  1  0  0  0  0
M  END
>  <CHROM.1>
-63.58722195,76.69637856,113.18995103,144.06213425,56.27014369,-19.63905928
173.71868288,169.07974901,66.16942266,-71.97415462,115.77084830,150.24557958
-58.74929480,-74.85823004,179.26364249,86.93632288,-66.89490847,68.58449600
69.89061762,108.62342543,-176.64744988,179.38372384,68.47211526,-70.32134433
178.60365838,-104.74603026,179.55697096,-176.30157968,186.13672107,215.63508567
265.17058709,2.67561186,-0.85630749,-0.91442672

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443764/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.5598

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.735

>  <SCORE.INTRA>
-15.8402

>  <SCORE.INTRA.DIHEDRAL>
-2.02467

>  <SCORE.INTRA.DIHEDRAL.0>
18.7109

>  <SCORE.INTRA.POLAR>
-1.91015

>  <SCORE.INTRA.POLAR.0>
-1.85713

>  <SCORE.INTRA.REPUL>
-0.0323319

>  <SCORE.INTRA.REPUL.0>
0.0323319

>  <SCORE.INTRA.VDW>
-8.17167

>  <SCORE.INTRA.VDW.0>
-6.27835

>  <SCORE.INTRA.norm>
-0.396004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.338996

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026684

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  200.7529  190.7084  240.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3668  191.8581  239.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5230  192.5849  240.2071 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7877  191.7035  240.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7505  194.0802  239.6918 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4593  194.9611  240.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5628  196.4654  239.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7848  196.7701  238.1905 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5564  196.9378  237.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5666  198.0183  238.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8314  194.7174  240.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7281  195.2461  241.2614 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2618  194.0699  238.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2453  193.9755  237.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5072  194.1390  235.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7832  194.4719  235.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8246  194.5734  236.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0791  194.9675  235.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1884  195.0451  236.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0578  194.6467  238.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8057  194.2609  238.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6149  194.2920  237.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  3  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
73.94745705,63.53135597,176.98752526,84.11693705,61.11774371,90.09705706
203.34121442,194.48527724,238.43250404,-2.41228074,0.38084964,-0.56105436

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443765/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.85339

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-2.54661

>  <SCORE.INTRA.DIHEDRAL>
1.67772

>  <SCORE.INTRA.DIHEDRAL.0>
1.51498

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.38547

>  <SCORE.INTRA.VDW.0>
1.52699

>  <SCORE.INTRA.norm>
-0.115755

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.402427

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003698

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  203.1799  199.4450  249.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1422  199.5433  248.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7742  200.9273  247.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3484  201.3484  247.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6381  201.3172  249.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1268  200.8456  250.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7994  199.4729  250.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2639  201.8557  249.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7607  202.4377  247.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4782  202.9893  247.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6860  202.9554  248.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1709  202.3571  250.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4553  201.8071  250.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
-3.12119178,200.20876690,201.29035485,249.05359080,0.18702576,-0.44151301
1.96607085

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443766/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.57915

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-3.82085

>  <SCORE.INTRA.DIHEDRAL>
-12.6456

>  <SCORE.INTRA.DIHEDRAL.0>
12.7247

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.50194

>  <SCORE.INTRA.VDW.0>
-0.676981

>  <SCORE.INTRA.norm>
-0.293911

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.198396

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.059587

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  219.5189  178.2480  243.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8006  177.6539  244.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1991  177.6862  245.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5744  177.1408  246.2725 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.5056  175.6099  246.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9132  177.5223  246.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0212  178.9373  246.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4568  179.3185  247.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5639  180.8220  247.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9747  181.2529  247.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0254  182.7612  247.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4374  183.2029  248.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4929  184.7103  248.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9111  185.1440  248.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9775  186.6545  249.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.4061  187.0798  249.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.4853  188.5570  249.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.9000  189.0961  250.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-179.93094039,75.75480020,65.61338284,179.68258525,-179.86965816,179.99674429
-179.77438630,179.96432743,-179.86901562,-179.79012156,-179.94508317,-179.98048513
179.99591777,121.01756196,225.19380848,181.63405772,247.37450181,2.48326613
0.64652024,2.87750121

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443767/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.4377

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.07778

>  <SCORE.INTRA>
-0.962296

>  <SCORE.INTRA.DIHEDRAL>
1.24963

>  <SCORE.INTRA.DIHEDRAL.0>
0.068055

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.58711

>  <SCORE.INTRA.VDW.0>
0.893047

>  <SCORE.INTRA.norm>
-0.0534609

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
1.02432

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.054803

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  199.0759  221.9382  247.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8625  221.7044  248.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6570  222.2051  247.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7540  222.9173  246.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9300  223.1278  245.7794 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0603  222.6480  246.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5901  223.5377  245.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4952  223.6993  246.2834 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9171  223.9415  244.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4253  221.8108  248.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3620  221.7528  247.7722 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5302  221.3915  249.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8676  223.7400  244.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7141  221.0843  250.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-152.76367169,13.98875947,-0.56310503,-176.76683393,196.45918972,222.56634813
247.02262987,-1.15520322,-0.10027792,2.10996666

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443768/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.8183

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-1.5817

>  <SCORE.INTRA.DIHEDRAL>
-6.62923

>  <SCORE.INTRA.DIHEDRAL.0>
9.06886

>  <SCORE.INTRA.POLAR>
0.549663

>  <SCORE.INTRA.POLAR.0>
-0.92073

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.135941

>  <SCORE.INTRA.VDW.0>
1.11023

>  <SCORE.INTRA.norm>
-0.131808

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.484858

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001663

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  202.4107  189.5843  251.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1159  190.8837  251.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4069  190.8867  250.8566 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7848  192.2001  250.8454 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7051  193.0087  251.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6246  192.1896  251.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3145  192.7728  251.7403 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3555  194.2881  251.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4853  194.9938  251.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7135  194.3445  251.1795 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5700  196.3621  251.2795 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9905  194.9530  251.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8583  195.5045  251.7252 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2443  192.1102  250.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1719  192.2871  249.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1333  191.7401  248.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1421  190.9868  249.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2069  190.7988  250.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2394  191.3599  251.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9161  189.7574  251.6842 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.0698  190.4163  248.7317 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2897  192.0805  247.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1282  191.1420  246.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1370  192.5524  250.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5675  193.8845  250.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9062  194.1784  250.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8219  193.1631  250.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4004  191.8371  250.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0637  191.5298  250.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4350  195.8173  250.3348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.3156  196.8831  252.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1639  196.7366  250.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9659  190.7760  247.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  6  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  3  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-179.01465947,-66.39677891,62.28616568,135.34331181,-14.02780042,201.87618003
192.34329226,250.59747643,-2.80664162,0.06352293,0.16163889

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443769/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.87905

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-2.52095

>  <SCORE.INTRA.DIHEDRAL>
1.67194

>  <SCORE.INTRA.DIHEDRAL.0>
2.22264

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.35692

>  <SCORE.INTRA.VDW.0>
1.10458

>  <SCORE.INTRA.norm>
-0.0840316

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.229302

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000035

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  190.3914  181.1637  250.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4104  181.2950  251.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4476  181.7719  252.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7446  182.1590  251.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0486  181.9940  250.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5834  182.6665  252.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1745  180.8795  252.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4137  181.6397  253.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6267  183.0149  253.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9009  183.8079  254.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4199  185.1228  254.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4526  185.0795  253.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5867  183.8190  252.9533 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4594  186.3817  252.9537 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.6052  179.5052  252.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5019  179.1499  252.5541 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4307  178.6619  251.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4642  182.9200  252.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0856  177.7635  251.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
-122.63894861,-5.91375140,178.65570964,-170.50240021,-176.71654766,179.42930220
190.05696730,182.52919672,252.52525726,-1.69284001,0.35329985,0.30109443

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443778/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.96331

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-2.43669

>  <SCORE.INTRA.DIHEDRAL>
-5.20614

>  <SCORE.INTRA.DIHEDRAL.0>
13.4064

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.166377

>  <SCORE.INTRA.VDW.0>
-0.515537

>  <SCORE.INTRA.norm>
-0.143335

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.409606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000711

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  206.3075  191.4596  243.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9271  190.4602  244.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8828  189.6612  243.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5334  188.6924  244.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0473  187.5912  243.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7468  186.5996  244.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9179  186.6483  245.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3850  187.7420  246.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7136  188.7573  245.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7297  185.5929  246.6620 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.8565  184.9523  247.6179 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8382  185.1841  248.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8890  184.8223  249.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0378  185.7841  249.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0667  186.1612  248.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9492  186.1191  247.3134 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9487  186.6312  246.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7276  187.7558  246.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6223  188.3138  245.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7510  187.7854  244.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0344  186.6306  244.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1853  186.0478  245.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6347  188.4219  243.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6380  186.6033  249.5325 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.2153  185.8553  251.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3624  185.9144  252.2896 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8398  187.5411  242.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0084  187.4458  241.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9858  184.5758  247.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5690  186.3019  248.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 30  1  0  0  0  0
 25 26  3  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.61299068,155.53727420,122.92951308,-120.13644751,151.40586427,143.37132774
210.95360097,187.18884444,246.34812243,2.10158558,0.14490509,-1.17609264

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443779/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.75025

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-1.64975

>  <SCORE.INTRA.DIHEDRAL>
3.23721

>  <SCORE.INTRA.DIHEDRAL.0>
6.59722

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00650073

>  <SCORE.INTRA.REPUL.0>
0.00650073

>  <SCORE.INTRA.VDW>
-3.23585

>  <SCORE.INTRA.VDW.0>
2.64417

>  <SCORE.INTRA.norm>
-0.0589197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.348223

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  209.6558  202.3882  243.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1742  202.9293  245.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4046  202.0714  245.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9095  202.4923  247.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1749  203.7810  247.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9364  204.6431  246.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4327  204.2205  245.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1669  205.1518  244.9868 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4823  204.7806  244.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-0.76017285,209.03508322,203.49652222,245.86896719,0.37479144,-0.98333872
-2.50235778

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443780/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39909

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.675

>  <SCORE.INTRA>
-0.000908951

>  <SCORE.INTRA.DIHEDRAL>
-0.0142907

>  <SCORE.INTRA.DIHEDRAL.0>
0.0150762

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00623641

>  <SCORE.INTRA.VDW.0>
0.483404

>  <SCORE.INTRA.norm>
-0.000113619

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.674886

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010707

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  186.6972  217.9718  260.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6927  218.1986  259.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3655  217.8702  260.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0091  217.2428  261.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0466  217.0294  262.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3711  217.4039  261.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5771  216.9304  261.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0878  216.8007  262.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8912  217.3464  264.6486 I   0  0  0  0  0  0  0  0  0  0  0  0
  181.5985  216.6502  260.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4143  216.9788  260.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0171  215.9924  259.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1243  216.0770  258.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4696  215.5681  256.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7099  214.9681  256.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5848  214.8282  257.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2268  215.3054  258.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-154.46499302,-146.95781293,-165.13435492,183.13556185,216.89399967,261.70335795
-1.63631952,0.24574971,1.35419763

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443781/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.6339

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-0.766097

>  <SCORE.INTRA.DIHEDRAL>
-2.18609

>  <SCORE.INTRA.DIHEDRAL.0>
8.88897

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.326949

>  <SCORE.INTRA.VDW.0>
-1.22842

>  <SCORE.INTRA.norm>
-0.0450645

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.449053

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024731

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  203.4627  204.5598  250.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0608  203.9149  249.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4070  204.1961  249.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1456  205.0841  249.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5566  205.7193  250.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2173  205.4447  251.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5526  206.0994  252.3601 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.5510  206.7770  252.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9791  205.8749  253.4998 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.2542  206.6144  251.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1386  205.4566  249.3472 I   0  0  0  0  0  0  0  0  0  0  0  0
  203.2544  202.9938  248.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3102  201.5160  248.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4766  200.8965  249.4486 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4272  200.9181  248.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6646  206.9471  252.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5066  199.9674  248.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <CHROM.1>
-94.67530746,179.44582445,98.13039503,179.40600043,205.72274528,204.76256864
250.02478024,2.81049187,-0.38403560,-2.45622405

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443782/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3267

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-2.0733

>  <SCORE.INTRA.DIHEDRAL>
-0.129527

>  <SCORE.INTRA.DIHEDRAL.0>
2.11381

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.00854

>  <SCORE.INTRA.VDW.0>
1.25557

>  <SCORE.INTRA.norm>
-0.13822

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.355113

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000580

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 49  0  0  0  0  0  0  0  0999 V2000
  198.0919  211.6699  251.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6348  210.3338  250.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0930  209.0701  250.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5691  207.7319  250.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6475  208.2130  249.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7054  209.3342  249.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5235  210.5837  249.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6848  206.8976  249.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7837  206.6142  251.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1521  209.1225  252.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9370  208.1504  252.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7713  208.3546  253.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7606  209.4145  254.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8764  210.5442  254.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9098  211.5023  255.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9564  212.6142  255.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7261  212.5444  255.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9439  211.4147  254.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0386  211.6672  253.6250 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2869  210.1917  254.8418 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6050  209.0320  254.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7618  207.4906  254.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9162  206.7120  254.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8634  206.8580  255.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8358  207.5901  256.1632 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3131  208.4061  257.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1393  208.4518  257.4268 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4298  209.2043  257.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3275  210.1821  258.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0562  210.5601  259.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5333  210.9605  258.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6961  210.7952  258.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9202  211.4989  258.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0757  211.3322  257.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2602  210.3771  256.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2494  212.1021  258.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2677  212.9918  259.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4271  213.7829  259.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3002  214.8907  260.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4816  215.7546  260.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7473  215.4579  259.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9639  213.9568  259.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7941  213.2379  259.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9624  211.7270  259.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9357  213.4402  257.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0068  215.3793  261.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4854  213.8744  256.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7638  207.2408  253.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 46  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END
>  <CHROM.1>
-172.81476944,8.46001520,175.17349829,25.53914941,-155.53113929,178.21348688
178.87578425,171.69543904,2.97595460,62.03508415,5.67627026,176.60360691
3.77373310,-178.74532302,-0.79353529,162.57213192,200.64774291,210.58153228
255.58454631,-2.44506113,0.34726731,1.37097585

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443783/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.08877

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.445833

>  <SCORE.INTRA>
-27.4888

>  <SCORE.INTRA.DIHEDRAL>
-47.0397

>  <SCORE.INTRA.DIHEDRAL.0>
56.4411

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.96893

>  <SCORE.INTRA.VDW.0>
-1.80577

>  <SCORE.INTRA.norm>
-0.572683

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
-0.126849

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.055260

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  209.7150  188.1214  253.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6508  188.3910  252.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3699  187.4899  251.0881 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3659  188.0281  249.8124 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6420  189.3129  249.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9384  189.9611  251.3795 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.6566  190.3049  248.3853 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.2497  189.1504  247.0568 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.8535  188.5775  247.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0512  187.1610  246.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0968  186.4437  246.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3963  186.8543  246.6322 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1649  187.9586  246.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3853  188.0487  247.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9377  185.5823  246.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3238  185.3542  246.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8580  184.1200  245.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0093  183.0850  245.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6317  183.2857  245.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1050  184.5158  245.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5909  181.5505  244.9005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.5782  183.9442  245.8432 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-0.72916182,66.74223665,177.56943248,210.21435975,186.60082188,247.67631250
-1.92775067,0.76336662,-2.20176404

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443784/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.86999

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-0.53001

>  <SCORE.INTRA.DIHEDRAL>
-1.7316

>  <SCORE.INTRA.DIHEDRAL.0>
1.83358

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.335788

>  <SCORE.INTRA.VDW.0>
-1.381

>  <SCORE.INTRA.norm>
-0.0240913

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.357727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000116

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  199.5121  224.4146  247.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4754  223.6482  247.7750 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.5839  223.5829  249.3547 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8935  223.9885  250.2574 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0205  225.5599  250.5648 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.5708  225.9820  250.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4463  224.9290  250.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1979  223.2779  250.1206 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3696  221.6797  249.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6790  221.4031  248.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2218  222.3355  247.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3875  222.0555  245.9607 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2746  220.7711  245.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5691  219.9505  247.1829 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.7751  220.2157  244.6404 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2336  219.3831  244.9503 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.0114  217.9971  245.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0627  219.6995  243.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9422  220.1973  246.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5450  221.4413  246.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0783  222.1427  247.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9932  221.5959  248.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3437  220.3777  248.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8078  219.6934  247.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6849  222.4198  249.8828 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.6704  222.7834  251.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9293  226.6264  249.7633 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1603  228.0450  250.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0303  226.2403  248.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8246  226.4798  247.5757 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2111  225.6640  249.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7347  225.6551  250.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0731  225.1068  248.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8904  226.1940  247.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2270  226.2418  247.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7019  223.3226  251.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1359  219.5951  244.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4577  223.4816  252.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <CHROM.1>
177.83013581,-168.34260357,106.53689199,88.74980383,-74.89640026,110.71377203
82.06562605,120.41388705,200.37246299,222.84637311,248.13532334,1.15257603
0.37045992,0.69621837

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443794/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.04975

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.344444

>  <SCORE.INTRA>
-9.35025

>  <SCORE.INTRA.DIHEDRAL>
-9.22749

>  <SCORE.INTRA.DIHEDRAL.0>
16.2382

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.73651

>  <SCORE.INTRA.VDW.0>
-4.75284

>  <SCORE.INTRA.norm>
-0.259729

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.0847152

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000944

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  216.9544  179.2307  261.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8328  179.2497  259.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4413  179.9848  258.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2473  180.0376  257.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4621  179.3499  257.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8584  178.6143  258.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0494  178.5632  259.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7985  180.9226  256.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7283  181.5044  256.6319 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5841  180.9641  255.3243 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2676  181.7075  254.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0522  181.5166  253.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6669  182.1623  251.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5649  183.0181  251.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8379  183.2560  252.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1953  182.6003  254.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2751  183.5529  250.5049 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.1466  183.1173  249.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3595  182.0651  250.2270 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.0159  183.5511  247.9345 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.1192  182.1019  247.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7742  180.7815  247.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8364  180.3938  247.1969 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1427  180.0382  248.6801 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8718  180.3451  249.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0516  180.3283  250.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6434  179.0979  251.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9217  178.8844  250.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7765  178.8133  249.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3337  180.2882  255.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-2.46663079,-171.35967263,-95.46727690,-51.21995253,-72.18288248,217.89380093
181.02403371,252.69432222,0.72431835,1.52676066,2.61407418

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443795/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.41998

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-3.98002

>  <SCORE.INTRA.DIHEDRAL>
-1.7769

>  <SCORE.INTRA.DIHEDRAL.0>
7.35193

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.09157

>  <SCORE.INTRA.VDW.0>
-1.17275

>  <SCORE.INTRA.norm>
-0.137242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.221378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000129

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  211.8650  183.8480  249.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7614  183.0150  248.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5783  183.8391  247.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4658  183.2955  246.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8993  183.9392  245.5591 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5213  185.3395  245.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6901  185.4958  244.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4238  185.9345  244.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9393  182.0080  246.7382 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0290  181.2225  247.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9762  181.6116  249.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2645  179.7819  247.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4041  178.9355  248.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3771  177.5820  248.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2413  177.0719  247.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1438  177.8874  246.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1483  179.2663  246.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1741  175.7147  247.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2783  175.4268  248.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4178  176.6062  249.4674 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3882  181.6773  245.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.71639535,158.61327521,-116.55334170,119.02547100,178.16335599,214.50610891
180.91043049,247.26622005,2.18845042,1.19499830,-0.85053350

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443796/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.32114

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-7.07886

>  <SCORE.INTRA.DIHEDRAL>
-15.9253

>  <SCORE.INTRA.DIHEDRAL.0>
19.1255

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.883782

>  <SCORE.INTRA.VDW.0>
0.0611288

>  <SCORE.INTRA.norm>
-0.353943

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.166057

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 38  0  0  0  0  0  0  0  0999 V2000
  210.6154  187.9654  243.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9380  187.3974  243.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9571  186.2391  242.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1480  185.6655  242.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3459  186.2509  242.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3440  187.3999  243.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1456  187.9802  243.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0824  184.5061  241.4497 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2343  183.9078  240.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3968  184.2077  241.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9795  182.8208  239.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7278  182.5510  239.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6354  183.2087  239.9812 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8380  183.9468  241.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7280  183.8772  241.8542 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7851  183.2285  241.0993 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2591  183.1958  239.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2791  184.0203  238.6661 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.4359  184.9357  237.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2853  185.8208  238.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7935  186.6200  239.2869 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7589  185.7628  238.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4617  186.6343  239.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8489  186.6794  239.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5531  185.8238  238.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8685  184.9333  237.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4658  184.8988  237.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6649  181.2019  238.4152 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.3046  180.9114  238.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8917  181.8406  239.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2988  181.4889  239.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6077  180.4008  238.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2244  179.7963  238.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 30  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 33  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
177.03096816,-1.04210251,-54.83398920,-53.80647440,179.27732827,212.85582980
184.28967415,240.10671644,1.92983509,-0.21044117,0.69158763

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443797/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.07642

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-7.32358

>  <SCORE.INTRA.DIHEDRAL>
-3.07413

>  <SCORE.INTRA.DIHEDRAL.0>
5.42034

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.78652

>  <SCORE.INTRA.VDW.0>
-0.812636

>  <SCORE.INTRA.norm>
-0.221927

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0932247

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  193.0519  202.3143  255.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8401  203.6089  254.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3169  203.6100  253.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1251  204.7881  252.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5520  206.0119  253.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0899  206.0576  254.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1633  204.8238  255.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5397  207.3011  255.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8597  207.7998  255.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4656  208.4334  255.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8095  207.1293  257.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7124  207.2166  252.7091 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2631  207.7144  251.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9408  207.0922  250.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0117  209.0503  251.3491 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1450  209.8480  252.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4611  204.6341  251.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5098  203.4010  251.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5317  205.8392  251.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4975  204.4029  250.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5102  209.4874  250.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
27.38750795,-46.91730963,-72.31483034,-4.10995332,192.69974578,206.11421169
253.32059805,0.24965355,1.21345705,2.49131773

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443798/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.06632

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-2.33368

>  <SCORE.INTRA.DIHEDRAL>
-2.13347

>  <SCORE.INTRA.DIHEDRAL.0>
6.62663

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.26694

>  <SCORE.INTRA.VDW.0>
1.61212

>  <SCORE.INTRA.norm>
-0.116684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.353316

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000208

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  183.6670  206.2761  258.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3150  206.9122  259.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2435  207.9688  259.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0081  208.6420  260.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9600  207.9077  261.9235 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.7271  208.5297  263.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6320  207.7919  264.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4108  208.4388  265.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2758  209.8216  265.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3504  210.5672  264.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5685  209.9318  263.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6175  210.6687  261.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8119  210.0160  260.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8004  210.7458  259.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6353  212.0762  259.4043 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.7016  212.3120  258.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8701  211.0949  257.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9183  210.1078  258.2908 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9616  211.0494  255.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8863  212.2082  255.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9763  212.1462  253.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1050  210.8971  253.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1803  209.7377  253.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1192  209.8162  255.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1584  210.9093  251.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3684  209.9483  251.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9104  213.2619  253.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8801  214.2727  253.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7509  206.2902  264.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
178.93377958,55.09043402,-178.95301405,0.22204228,57.45336284,-135.10436764
183.82673882,210.01899314,258.55294762,2.84175013,1.52787854,0.58337762

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443799/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.6346

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-2.7654

>  <SCORE.INTRA.DIHEDRAL>
2.64665

>  <SCORE.INTRA.DIHEDRAL.0>
6.41457

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0051515

>  <SCORE.INTRA.REPUL.0>
0.0051515

>  <SCORE.INTRA.VDW>
-4.06296

>  <SCORE.INTRA.VDW.0>
4.45932

>  <SCORE.INTRA.norm>
-0.0953586

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.297745

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000270

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 53  0  0  0  0  0  0  0  0999 V2000
  208.5452  206.8936  244.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0561  205.4959  244.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5533  204.5061  243.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0521  203.1007  243.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5923  202.1317  242.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2007  200.7586  242.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6747  199.7711  241.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2551  198.3921  242.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7716  197.4166  241.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3717  196.0436  241.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8361  195.0562  240.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4900  195.2954  239.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1399  194.1697  238.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8497  194.3892  236.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6733  193.2011  235.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5369  193.3998  234.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5895  192.1722  233.8733 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4263  192.2723  232.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5407  190.8847  232.0571 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5657  191.0128  230.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5007  190.0272  229.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2618  190.2583  228.6848 P   0  0  1  0  0  0  0  0  0  0  0  0
  211.7156  189.0041  227.9373 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1793  189.7642  229.8153 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0232  190.4893  227.4995 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4535  191.1543  226.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4033  191.3395  225.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0384  192.0238  224.0329 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.6374  193.3803  224.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1279  191.1577  223.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9292  192.2391  223.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0021  189.9192  233.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9378  188.6092  232.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5755  188.2319  231.5517 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3637  187.6790  233.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1378  187.3288  234.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4819  188.5510  235.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4028  189.2141  236.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0729  190.3431  235.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9791  191.0289  236.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5973  192.4611  237.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4551  193.4804  236.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0749  194.9117  237.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6349  195.4611  238.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8573  196.0001  239.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4105  196.5500  240.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2734  198.0336  240.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4947  198.6502  241.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3752  200.1358  241.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6665  200.6445  243.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5454  202.1643  243.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7422  202.6715  244.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6724  204.1872  244.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4791  189.0103  230.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  6  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  CHG  1  28   1
M  END
>  <CHROM.1>
-179.38551517,-177.66836906,174.58467534,176.54608031,-178.42873698,-177.84285340
178.94814494,177.41652220,74.75767316,170.37986306,-177.49168235,172.71966666
-173.24330511,167.62143867,-177.97598041,175.09988868,-174.34049729,-158.70903245
169.67320322,79.30865974,179.09065870,-41.13759067,-51.39412131,178.55781569
-177.29046886,-58.76618988,2.63492203,88.67480371,-60.21297412,-64.54349344
103.07271746,-124.86786384,-123.17352703,103.48625142,-123.08605832,111.28357411
115.38957966,-127.42903365,179.85699290,176.15441073,177.92608019,210.97923630
194.63378727,235.77976682,1.66109322,-1.29872082,1.00291071

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443800/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
32.768

>  <SCORE.INTER>
45.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
40

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.856604

>  <SCORE.INTRA>
-12.632

>  <SCORE.INTRA.DIHEDRAL>
4.81682

>  <SCORE.INTRA.DIHEDRAL.0>
7.04962

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.6404

>  <SCORE.INTRA.VDW.0>
2.53661

>  <SCORE.INTRA.norm>
-0.23834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
0.618263

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.074254

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  213.9787  186.7765  239.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2600  187.4976  240.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8744  188.8605  240.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5748  189.0117  241.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6421  189.8891  239.9797 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3534  191.1740  240.1258 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.3811  191.4373  239.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4595  190.8640  237.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5139  191.3157  236.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8829  192.7886  236.9920 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.3578  193.0244  238.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3852  192.4846  239.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4481  192.8856  240.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9246  193.2218  235.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6418  194.2189  235.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5896  194.5945  234.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8507  193.9916  234.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1228  193.0079  234.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1857  192.6294  235.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7533  194.3046  232.9963 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.1222  193.7961  233.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5325  195.4199  232.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5993  189.9149  237.2752 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2298  189.8049  237.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3074  189.7785  236.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9371  189.7019  236.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4682  189.6306  238.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3704  189.6608  239.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7458  189.7704  238.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3841  192.3607  240.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6958  192.9260  239.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9041  194.0623  239.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7773  194.6260  240.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4118  194.0662  241.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2115  192.9328  241.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0346  195.7294  240.7848 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.8100  189.6447  236.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-104.45926641,-78.00794437,117.90908787,172.39788246,215.20405010,191.91765409
238.01711454,-2.89235342,0.70275602,0.11766488

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443801/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.51528

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.261111

>  <SCORE.INTRA>
-1.88472

>  <SCORE.INTRA.DIHEDRAL>
-1.51419

>  <SCORE.INTRA.DIHEDRAL.0>
4.51963

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12763

>  <SCORE.INTRA.VDW.0>
0.660698

>  <SCORE.INTRA.norm>
-0.0523534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.208758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  211.0413  201.5172  245.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0622  202.7466  245.1751 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2813  203.3561  244.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2944  204.5296  244.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4723  205.2103  243.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7033  204.7093  244.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7248  203.5218  244.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5306  202.8645  245.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9622  205.4524  243.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6990  204.8710  242.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8862  204.9361  241.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6785  204.3438  240.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9145  204.3995  238.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0169  205.0472  243.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9235  206.1330  243.0713 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8093  204.1955  243.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8665  203.1299  244.6284 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4661  204.5341  243.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3537  205.4979  242.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4473  203.6656  243.5759 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1040  203.8882  243.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3981  204.9831  243.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7346  204.7201  245.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9982  205.7196  245.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9203  206.9886  245.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5876  207.2717  243.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3244  206.2726  243.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9734  208.2137  245.9010 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.4516  204.0103  238.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6613  202.8710  244.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-99.34595304,63.11492392,179.92276271,179.60754703,-179.78272561,1.52827807
-75.74588870,-85.10783639,209.94877947,204.91238975,243.82001394,-0.03565615
-0.28501360,2.28025866

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443810/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.85007

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-2.54993

>  <SCORE.INTRA.DIHEDRAL>
-3.76749

>  <SCORE.INTRA.DIHEDRAL.0>
6.35085

>  <SCORE.INTRA.POLAR>
-0.057281

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.471432

>  <SCORE.INTRA.VDW.0>
-1.71566

>  <SCORE.INTRA.norm>
-0.091069

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.351788

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000130

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  190.4587  218.7905  249.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8991  219.8229  249.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6993  219.6671  250.4686 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.4248  220.8098  251.1944 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4516  221.7540  251.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5183  222.8134  251.8142 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5273  221.1117  250.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7375  221.6532  250.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7404  220.9241  249.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2143  222.9008  250.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2392  223.1880  251.5545 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4731  224.6864  251.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2824  225.6060  251.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2203  226.9650  251.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9400  227.4330  251.7115 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2233  226.3812  252.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9824  225.2475  252.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8529  222.4876  252.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5862  221.6799  253.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6130  222.7650  253.3242 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2089  221.0435  251.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8664  222.1099  252.4954 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5648  221.9872  252.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8460  222.9578  253.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5448  222.6790  254.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9610  221.4458  253.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6472  220.4742  253.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9439  220.7745  252.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0078  219.8261  251.6866 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2987  223.5754  249.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6304  224.3198  252.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3594  222.2906  254.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  1  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 32  1  0  0  0  0
 21 29  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-178.84023428,106.84953726,-176.78015684,37.31291665,122.48925531,-157.29051542
177.71018208,189.27995307,222.30344262,251.80089930,-0.28083649,-0.27762102
-2.76897743

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443811/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.75925

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-9.64075

>  <SCORE.INTRA.DIHEDRAL>
-5.14432

>  <SCORE.INTRA.DIHEDRAL.0>
10.132

>  <SCORE.INTRA.POLAR>
-1.55683

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.77536

>  <SCORE.INTRA.VDW.0>
-2.50006

>  <SCORE.INTRA.norm>
-0.33244

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.0606637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000064

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  199.5937  194.5210  250.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9702  194.3551  249.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1846  193.4847  248.8048 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0865  195.2420  250.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9211  196.2749  251.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9984  197.1272  251.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2401  196.9253  250.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4155  195.8784  249.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3425  195.0480  249.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7861  198.3440  252.0830 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6806  199.2635  251.6655 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1809  199.1132  250.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9321  198.5354  249.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5867  198.1964  248.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4774  198.4310  247.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7034  199.0389  247.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0443  199.3982  249.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4116  199.2033  252.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7917  198.1662  252.8291 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0150  200.4379  253.1095 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7464  200.6508  253.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9183  201.5393  255.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5828  201.7626  255.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5195  202.3275  254.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3631  201.4727  253.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7027  201.2588  252.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8055  198.6718  252.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7798  197.9286  253.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7595  199.9648  253.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6293  201.1472  252.9477 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2958  201.4591  251.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5933  201.2314  251.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7991  201.4883  249.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7565  201.9104  249.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4925  202.1901  249.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2858  202.0001  251.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1790  202.2222  251.7706 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4361  201.7818  252.9921 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5813  201.2567  252.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 38  1  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
-2.04416971,-47.52799010,-21.44024779,107.52603429,-56.87543014,137.71472567
-54.74102102,-44.44700131,201.63405961,199.15161811,251.45023710,1.03065090
-0.32520936,-2.66014997

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443812/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.2452

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-8.1548

>  <SCORE.INTRA.DIHEDRAL>
-6.02768

>  <SCORE.INTRA.DIHEDRAL.0>
20.1893

>  <SCORE.INTRA.POLAR>
-1.44382

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.231978

>  <SCORE.INTRA.VDW.0>
-6.99023

>  <SCORE.INTRA.norm>
-0.2146

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.138032

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  205.4045  196.7017  250.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7577  196.8965  249.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2928  198.1854  248.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5351  198.4973  247.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6771  199.8595  247.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8318  200.3002  245.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8652  199.3576  244.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7958  197.9869  244.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6387  197.5594  246.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9215  199.6923  243.2578 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0035  201.0013  242.9493 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2354  201.0041  241.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4912  202.1211  240.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6878  201.8378  239.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6333  200.5353  238.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3606  199.3877  239.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1825  199.6396  241.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9640  198.8197  242.2026 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8302  200.3797  237.5181 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7190  199.1805  236.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3387  198.1076  237.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0564  199.1342  235.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9085  198.0198  234.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4001  198.0591  233.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0282  199.2025  232.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1549  200.3323  233.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6755  200.2991  234.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8138  201.5450  232.9689 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.2618  201.4894  231.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8622  202.5406  233.7033 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.1838  196.5369  235.0198 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.0017  201.2295  236.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  2  28   1  30  -1
M  END
>  <CHROM.1>
-179.53135565,-151.79425466,2.91407418,-175.57676439,-175.91690433,206.62355925
199.34889461,239.86661090,2.20822928,1.30179647,1.04949594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443813/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.97121

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-4.42879

>  <SCORE.INTRA.DIHEDRAL>
-4.76824

>  <SCORE.INTRA.DIHEDRAL.0>
6.08081

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.04467

>  <SCORE.INTRA.VDW.0>
3.52976

>  <SCORE.INTRA.norm>
-0.142864

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.19262

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  192.7863  222.2471  259.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8772  221.6386  258.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2603  220.2167  257.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7771  219.1278  258.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1357  217.7976  258.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8325  216.6864  259.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2207  215.3871  258.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7602  215.2657  257.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1311  216.3048  256.6422 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8748  217.5514  257.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3741  218.6401  256.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1076  219.9592  256.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0399  213.7428  256.6706 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.1116  214.2217  259.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3088  213.5969  260.2685 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3917  214.4587  260.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8126  215.7008  260.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4703  216.9714  260.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9565  218.0817  259.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7172  217.9749  258.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9848  216.7551  258.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5289  215.6067  258.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1645  219.1854  258.3234 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7439  220.0251  259.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7996  219.3729  260.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4401  212.2092  260.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5445  211.4236  259.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7746  211.6615  260.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8118  211.6199  259.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
86.20579102,-108.87002008,45.20266472,-41.08030228,107.55037489,-82.45210063
193.70510522,216.50063642,258.76623842,-1.62596082,0.69654241,3.02892513

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443814/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.90671

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-7.49329

>  <SCORE.INTRA.DIHEDRAL>
0.626318

>  <SCORE.INTRA.DIHEDRAL.0>
5.58374

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.80645

>  <SCORE.INTRA.VDW.0>
-0.515367

>  <SCORE.INTRA.norm>
-0.258389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.134714

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 44  0  0  0  0  0  0  0  0999 V2000
  211.1066  208.9587  258.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5580  208.5927  257.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5164  207.7627  257.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0321  207.4602  255.7430 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.8654  208.1259  254.7503 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7072  207.9447  253.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9253  207.1829  252.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6708  208.8088  252.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6562  208.9234  251.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6031  209.7331  250.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3613  210.2159  249.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3832  210.8960  248.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6303  211.1254  249.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8657  210.6540  250.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8599  209.9655  251.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5200  211.8100  248.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8943  211.4707  248.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2315  210.0414  248.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9926  210.4436  249.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7313  209.5923  253.7591 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.8984  208.9226  255.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2588  209.1828  256.3342 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5672  207.8534  255.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6980  206.9585  254.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3436  207.2598  254.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8651  208.4979  255.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7281  209.4181  255.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0682  209.0891  255.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4990  208.7937  254.9473 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8207  209.7261  255.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2725  210.3669  256.6704 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4068  209.8676  255.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4471  206.4212  254.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8013  205.9872  252.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7308  207.0924  258.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8950  207.3336  259.4141 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9359  206.1204  257.7206 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1867  205.3119  258.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2883  204.2773  257.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6918  203.2657  258.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1599  205.0033  257.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 22  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  1  0  0  0
  5 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 33  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
>  <CHROM.1>
6.59718757,-134.68866007,-158.07782666,55.18253540,-146.34319678,-54.62674525
157.17898325,-1.00922581,175.49870711,178.07355958,169.79058300,208.72763351
208.46446520,254.19951184,-2.31942035,-0.06484266,-1.16124227

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443815/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39446

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-10.0055

>  <SCORE.INTRA.DIHEDRAL>
-16.327

>  <SCORE.INTRA.DIHEDRAL.0>
28.5981

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.84205

>  <SCORE.INTRA.VDW.0>
3.19033

>  <SCORE.INTRA.norm>
-0.244037

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.155963

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  183.1995  213.8617  260.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2009  214.7739  258.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5356  215.0908  258.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6136  215.8899  257.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6529  216.3415  256.8264 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0326  216.1221  257.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3735  217.0905  256.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6819  217.3116  255.7894 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5811  216.4926  256.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3784  215.4131  256.9982 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0771  215.1928  257.6322 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.7029  213.7175  257.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3669  213.1770  256.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9254  211.8601  256.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8211  211.0697  257.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1704  211.5901  258.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6165  212.9050  258.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5111  214.7038  257.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6015  213.8280  258.1908 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6934  215.2462  256.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9149  214.7202  256.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1645  215.4498  256.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1810  216.8226  256.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4142  217.4252  256.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5928  216.7160  256.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6175  215.3679  256.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3930  214.7353  256.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4375  213.0464  256.9828 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.6899  217.4982  255.9355 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0787  218.8026  255.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6383  218.7482  255.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2539  216.6672  255.7522 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.4364  218.0607  255.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  9 32  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 31  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
179.19076642,0.55446766,-166.43074795,53.79756250,8.26401466,189.52135750
215.30776997,256.90586865,-2.92108148,0.09137691,-0.29683382

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443816/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.42954

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-5.97046

>  <SCORE.INTRA.DIHEDRAL>
-15.8818

>  <SCORE.INTRA.DIHEDRAL.0>
17.6182

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.97042

>  <SCORE.INTRA.VDW.0>
-2.69239

>  <SCORE.INTRA.norm>
-0.180923

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.134229

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  212.3057  183.9821  244.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6552  184.5133  243.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5038  184.7733  242.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7030  184.5384  242.7187 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7242  185.3650  241.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0547  186.6126  241.9043 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7524  186.9028  241.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3678  187.9827  242.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5031  188.4477  243.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7263  189.4985  243.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9856  189.6454  244.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0218  188.7729  244.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8301  187.7278  243.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5572  187.5756  242.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0278  188.4681  242.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2839  188.5601  243.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7928  188.1564  244.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8827  187.6540  245.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9289  188.3743  245.8981 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6709  188.8991  245.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0387  188.9499  246.9103 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1952  189.2796  244.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8984  189.1058  243.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4629  189.4117  242.2992 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8826  189.8562  244.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0215  189.5556  243.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7563  190.1422  243.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3488  191.0525  244.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1932  191.3533  245.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4478  190.7431  245.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2490  188.0745  246.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
2.44994154,60.04054155,-134.78570337,120.25291419,-141.63068542,208.20181421
188.12474304,243.85992509,-0.27836407,-0.35746714,1.24530651

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443817/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.19833

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-2.20167

>  <SCORE.INTRA.DIHEDRAL>
-6.7573

>  <SCORE.INTRA.DIHEDRAL.0>
22.9738

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.17698

>  <SCORE.INTRA.VDW.0>
-0.82735

>  <SCORE.INTRA.norm>
-0.0733889

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.273278

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  210.0664  191.5842  237.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4140  190.6033  238.9863 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.5983  189.6490  238.9217 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.8852  190.3355  239.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7560  190.6372  240.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4741  190.8748  241.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2949  191.0402  240.4971 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.3229  189.9259  240.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9720  188.5109  240.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1216  188.4102  239.6130 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1564  187.4566  240.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8958  186.8876  238.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2050  186.9965  238.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0406  192.5622  240.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2750  191.0233  242.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3578  191.0033  243.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6355  190.8632  243.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8449  190.6721  241.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1652  191.1337  245.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2210  191.2289  245.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5 18  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-63.35373325,119.77949592,0.05371392,211.68452038,190.01244532,240.75750484
1.58297525,0.69886428,-2.13703455

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443818/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.33128

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.0687225

>  <SCORE.INTRA.DIHEDRAL>
-0.250941

>  <SCORE.INTRA.DIHEDRAL.0>
0.784356

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0567483

>  <SCORE.INTRA.VDW.0>
-0.370192

>  <SCORE.INTRA.norm>
-0.00361697

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.385857

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  202.6373  211.7681  252.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3996  213.0374  252.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8027  212.5668  254.1090 Se  0  0  0  0  0  0  0  0  0  0  0  0
  203.8906  213.3246  255.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5105  214.0975  256.4488 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5382  212.9825  255.8793 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0412  211.1475  253.6280 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5001  214.3430  256.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0406  212.3459  255.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0479  213.3453  256.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7975  210.7239  254.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4145  210.3716  253.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <CHROM.1>
59.29055059,-71.46433234,-105.95399053,-132.15470317,203.92487755,212.62800217
254.30865209,2.07172894,-0.25808468,-2.00803548

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443819/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.83623

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.34286

>  <SCORE.INTRA>
-3.56377

>  <SCORE.INTRA.DIHEDRAL>
1.13561

>  <SCORE.INTRA.DIHEDRAL.0>
0.459236

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.731578

>  <SCORE.INTRA.VDW.0>
-0.377136

>  <SCORE.INTRA.norm>
-0.50911

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.833747

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039348

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 36  0  0  0  0  0  0  0  0999 V2000
  188.0081  216.1190  257.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1947  215.6468  258.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7306  214.6796  259.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8071  214.3988  260.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5059  213.2952  261.0332 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.7075  211.8753  260.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5082  210.4985  261.4884 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.5049  211.6129  259.0186 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.3478  211.7576  259.6126 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.2692  213.4707  262.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2228  214.9327  257.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7176  213.6680  256.8269 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5220  213.0544  255.8076 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.0967  211.5526  255.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3089  211.3306  255.4367 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.7557  210.9857  253.9235 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.7295  210.4525  256.7848 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.5020  213.9087  254.6572 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8747  216.8745  258.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1147  216.5196  259.4239 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6837  217.5979  260.1764 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9337  217.1648  261.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6154  218.5046  262.0428 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.4945  215.8437  262.2137 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.2513  216.5302  260.0007 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.9600  218.6603  259.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4076  215.0143  256.5997 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2793  215.3481  255.7902 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.7255  214.1897  254.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2730  214.6711  253.9077 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.9512  213.6441  253.6500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.2770  212.7601  255.8611 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.3093  215.8703  256.7062 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2076  213.4558  261.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.5664  214.0249  254.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3041  219.3972  259.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.5374  216.1207  256.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 36  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <CHROM.1>
-62.52030525,178.52732540,-172.24303724,-71.48648453,-169.31290171,-167.60358637
79.79390703,173.57218791,-61.29333876,169.93651115,170.60974350,42.51734104
-56.92235783,-172.90148166,170.75320119,-178.10116934,177.27594853,171.07063302
178.19861385,178.90506623,189.57991530,213.95368585,257.96569276,2.70077140
0.81180916,-3.04829615

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443820/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.61803

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.648485

>  <SCORE.INTRA>
-17.782

>  <SCORE.INTRA.DIHEDRAL>
-21.5486

>  <SCORE.INTRA.DIHEDRAL.0>
29.135

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.00769

>  <SCORE.INTRA.VDW.0>
-3.34441

>  <SCORE.INTRA.norm>
-0.538848

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.109637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.075193

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  192.7540  223.4596  258.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1874  223.0467  257.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7464  223.2408  256.9056 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8988  222.3348  259.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9499  220.8478  258.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1687  220.0677  259.4539 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9611  220.4919  258.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0636  219.0850  257.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
99.33727455,-97.20201817,-179.40593010,194.72840355,221.53800534,258.29810954
2.19547528,0.69415660,-0.58097895

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443821/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.75941

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-0.640589

>  <SCORE.INTRA.DIHEDRAL>
-0.126289

>  <SCORE.INTRA.DIHEDRAL.0>
2.7026

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.577444

>  <SCORE.INTRA.VDW.0>
1.65662

>  <SCORE.INTRA.norm>
-0.0800736

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.969926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048508

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  193.7238  209.2697  246.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1176  208.0545  245.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4747  207.7421  245.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4347  208.6602  246.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0388  209.8762  246.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6786  210.1855  247.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2427  211.4952  247.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6051  212.4705  246.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1166  213.0016  245.7078 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1504  212.8225  246.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5259  212.3568  247.9096 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6815  213.6946  246.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9072  206.4241  245.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0766  205.5182  244.9298 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2318  206.1100  245.2681 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7396  213.9071  246.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1091  205.8464  244.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7956  206.6978  244.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6264  206.0162  246.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
1.02554534,-68.29083898,-62.60766381,-0.26584452,-179.95509398,-62.82348484
194.34542719,209.91662122,246.33539886,1.06569434,0.00293693,-2.93436448

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443822/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.03647

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-3.36353

>  <SCORE.INTRA.DIHEDRAL>
-5.41045

>  <SCORE.INTRA.DIHEDRAL.0>
6.88588

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.658305

>  <SCORE.INTRA.VDW.0>
-0.0214466

>  <SCORE.INTRA.norm>
-0.224235

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.469098

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.151982

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  215.7138  203.4611  242.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2747  202.1576  242.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0964  201.9144  244.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6095  200.7169  244.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4716  200.4152  246.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7086  201.2041  247.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1879  202.3924  246.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3893  202.7507  245.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5029  200.7158  248.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2166  201.6918  249.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5759  199.2338  248.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9883  198.9369  250.0159 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2431  198.0787  247.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5271  198.1753  246.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4038  197.0937  245.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8747  195.8294  246.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4378  195.6843  247.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6323  196.7845  248.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7453  194.6941  245.3472 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3416  194.5013  244.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0896  193.2922  243.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9379  192.1298  244.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8056  190.9834  243.7982 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7889  191.2926  242.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6486  190.3289  241.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5599  190.7466  240.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6354  192.1166  239.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8166  193.0916  240.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8893  192.6776  242.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2798  199.8907  243.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7699  198.5596  243.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2451  193.8939  245.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 21 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-134.72876604,-123.04932682,156.83502056,147.82903076,-17.05669042,10.08831043
214.14467259,197.22764718,244.97062802,-0.49442692,-1.34189379,-1.65255330

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443823/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.83442

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-2.56558

>  <SCORE.INTRA.DIHEDRAL>
2.26793

>  <SCORE.INTRA.DIHEDRAL.0>
9.93512

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.69955

>  <SCORE.INTRA.VDW.0>
3.90551

>  <SCORE.INTRA.norm>
-0.0827607

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.284981

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000202

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  188.7343  214.6306  249.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4046  213.7161  250.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9821  212.3449  249.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6023  213.6292  250.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4213  212.9152  252.1498 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0702  213.6807  253.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8120  215.2332  253.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8600  216.0641  252.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2072  215.9360  253.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1272  216.5446  254.3643 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0618  216.0114  255.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7153  215.9612  254.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2708  217.1971  254.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6565  218.2201  254.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0731  216.6412  255.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5864  216.8480  255.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2394  216.0712  254.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8869  214.6538  254.7091 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4789  214.3375  254.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8415  215.1238  256.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3739  214.0344  253.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4896  214.2451  252.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4839  213.3218  251.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8525  213.3934  250.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0775  214.3800  249.7979 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9932  215.3110  250.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7158  215.2891  251.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9529  212.3998  250.2900 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8218  212.9772  254.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5741  211.8636  254.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3291  211.2795  256.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3608  211.8220  256.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6498  212.9269  256.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8511  213.5064  255.2543 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5503  211.3671  254.0648 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.0424  212.5600  250.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3546  211.5201  250.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 36  1  0  0  0  0
 28 37  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
174.78209670,-90.57595500,-45.47764113,34.88359631,66.17965233,146.35251906
-82.65455854,-90.85089099,81.12589506,191.25089826,214.38525724,253.31509204
-2.90820144,0.43338206,1.38963642

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443824/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.49176

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411429

>  <SCORE.INTRA>
-8.90824

>  <SCORE.INTRA.DIHEDRAL>
-1.43797

>  <SCORE.INTRA.DIHEDRAL.0>
10.8373

>  <SCORE.INTRA.POLAR>
-1.48805

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.12989

>  <SCORE.INTRA.VDW.0>
-1.23026

>  <SCORE.INTRA.norm>
-0.254521

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.156907

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  203.8743  213.4931  248.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2359  214.2009  249.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7086  213.5606  250.5864 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1723  213.5350  250.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8581  213.0122  249.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3603  213.5993  248.1402 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8349  215.0062  247.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3570  215.1109  247.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0706  215.9808  248.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4518  216.1280  248.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1371  215.4121  247.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4466  214.5346  246.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0664  214.3788  246.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1634  215.7568  246.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1715  215.2694  245.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5072  215.9523  244.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8577  217.1541  244.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8808  217.6795  245.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5292  216.9883  247.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9202  212.7728  251.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3669  212.2319  252.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4749  212.5702  251.0512 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1367  211.4945  250.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7372  211.3238  251.4971 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.2523  211.2428  251.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5085  212.3228  252.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1642  212.1733  252.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5294  210.9380  252.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2364  209.8578  252.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5778  210.0142  251.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 22 20  1  1  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-176.00252975,-126.02054370,-56.10782569,83.28657615,-30.86505798,203.65754929
213.76960184,249.17034082,0.66527715,-0.07510972,-0.95115912

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443825/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.34835

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-1.05165

>  <SCORE.INTRA.DIHEDRAL>
-0.518228

>  <SCORE.INTRA.DIHEDRAL.0>
4.52138

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.792533

>  <SCORE.INTRA.VDW.0>
-2.94408

>  <SCORE.INTRA.norm>
-0.0350549

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.311612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  190.3474  228.6935  265.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4196  227.6909  265.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1592  227.2211  264.7177 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0993  226.2826  265.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2911  225.9220  266.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8525  225.7925  263.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9381  225.1260  262.7494 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.7259  224.6580  261.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8211  225.1606  260.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4915  224.6307  259.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7937  223.2694  259.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4955  222.7964  258.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8995  223.6799  257.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5974  225.0301  257.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9006  225.5093  258.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4411  226.2811  261.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0667  223.4125  261.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0557  222.9354  259.9033 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3583  222.8345  262.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9916  221.6803  262.3124 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3591  223.8176  263.2073 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0551  223.4143  264.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6952  223.8364  265.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5108  224.5009  266.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2430  224.9264  266.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1336  224.6704  265.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2872  223.9541  264.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5554  223.5333  264.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8517  226.1240  262.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4745  225.8942  262.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5196  226.8328  261.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9143  228.0123  261.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2616  228.2375  261.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2149  227.2980  261.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2422  226.4152  260.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-177.78005965,-1.58047487,-60.08575164,178.48300500,-117.40696171,-47.95584013
175.36379805,85.85887215,-129.43244162,192.50319062,225.12591269,262.57336415
-2.92543474,-0.83744071,-3.08833999

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443834/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.03326

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394118

>  <SCORE.INTRA>
-16.4333

>  <SCORE.INTRA.DIHEDRAL>
-30.4157

>  <SCORE.INTRA.DIHEDRAL.0>
41.6832

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.22538

>  <SCORE.INTRA.VDW.0>
-3.91925

>  <SCORE.INTRA.norm>
-0.483331

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
-0.0892135

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003621

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  217.9992  191.2971  238.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3674  190.9256  239.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2069  191.8739  240.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8931  189.5324  239.9254 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3322  188.6380  240.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3553  188.8652  241.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5079  188.1365  242.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8413  186.7897  242.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0080  185.8785  243.8180 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8227  186.1905  244.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0281  185.1716  245.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7657  185.4003  247.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2549  186.6723  247.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0386  187.6952  246.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3899  187.4679  245.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2841  188.4734  244.0696 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8073  189.8160  244.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1890  190.9283  243.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7901  192.1938  243.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9540  192.3997  244.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5292  191.3480  245.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9885  190.0648  244.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6996  193.9477  244.3976 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.9929  186.4374  241.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7713  187.2426  240.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0201  186.8997  239.5856 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2989  187.3309  238.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5255  186.9929  237.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8765  187.4863  236.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9995  188.3190  235.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7660  188.6418  236.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4213  188.1472  237.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4455  188.9724  234.1927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.0183  186.8811  239.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
121.31962392,26.07993440,36.96418371,60.43272678,218.46019854,188.95845929
241.55358621,-2.50298045,1.10080399,2.35169812

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443835/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24967

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-2.15033

>  <SCORE.INTRA.DIHEDRAL>
-4.09344

>  <SCORE.INTRA.DIHEDRAL.0>
8.41503

>  <SCORE.INTRA.POLAR>
0.10907

>  <SCORE.INTRA.POLAR.0>
-0.10907

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.474447

>  <SCORE.INTRA.VDW.0>
-1.9461

>  <SCORE.INTRA.norm>
-0.0651614

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.219687

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  184.1899  220.1198  252.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0815  218.8809  252.4663 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.3117  218.2967  253.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2833  217.1135  253.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5386  217.5479  253.2103 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3795  218.0271  251.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4260  219.2203  251.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7821  217.3583  253.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0331  216.8983  255.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4812  216.8864  255.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0504  216.5121  256.2271 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0810  217.3447  254.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0826  217.7618  253.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3677  217.0651  251.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6877  217.5049  251.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7682  219.0234  251.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5309  219.7113  252.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1911  219.2917  252.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-6.82358449,188.80007626,218.04038534,253.14021387,-2.97685197,-0.11895881
2.09763300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443836/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-29.2776

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-35.6776

>  <SCORE.INTRA.DIHEDRAL>
-74.1322

>  <SCORE.INTRA.DIHEDRAL.0>
74.8392

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.38853

>  <SCORE.INTRA.VDW.0>
-1.35824

>  <SCORE.INTRA.norm>
-1.98209

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
-1.62653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.089674

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  230.0328  178.9213  247.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6705  179.1662  248.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.3155  179.5068  249.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1479  179.7782  250.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6114  180.3225  251.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2425  180.5957  251.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4155  180.1292  250.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9436  179.6461  249.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6422  181.4175  252.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6043  182.8634  252.5757 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.5500  183.4254  251.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6018  183.8931  250.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6395  183.0503  249.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7123  185.2362  249.9905 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.4490  185.7823  248.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3365  187.2968  248.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6269  187.7402  247.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6419  186.6286  248.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9523  185.5838  249.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7756  183.6361  252.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7666  183.1113  253.3615 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.8081  185.0554  252.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8376  185.9149  252.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2038  187.1469  251.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8692  187.0358  252.0189 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.6339  185.7313  252.3994 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.8257  188.3992  251.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0392  188.5649  251.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.9506  189.4084  251.1391 N   0  0  0  0  0  0  0  0  0  0  0  0
  230.1651  185.6609  252.2085 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6703  185.8182  250.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.9513  189.2525  251.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
  228.3077  190.2919  250.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
  230.5566  184.7318  252.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
  230.8309  186.3482  251.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
>  <CHROM.1>
6.49215129,89.32200378,79.57324983,-104.78479528,74.98770168,146.35651657
173.51659158,-151.56183028,-2.78852383,227.68491681,184.07157102,250.72314636
1.82370628,1.55490332,2.98267390

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443837/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.12184

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48

>  <SCORE.INTRA>
-8.27816

>  <SCORE.INTRA.DIHEDRAL>
-4.8232

>  <SCORE.INTRA.DIHEDRAL.0>
11.6492

>  <SCORE.INTRA.POLAR>
-0.700915

>  <SCORE.INTRA.POLAR.0>
-0.0182858

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.48345

>  <SCORE.INTRA.VDW.0>
-1.79622

>  <SCORE.INTRA.norm>
-0.275939

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.204061

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000030

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  188.2347  227.1252  257.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6903  226.9010  256.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9482  226.9933  255.3372 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.3096  228.2382  254.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1598  229.3797  255.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2374  228.6423  256.1066 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.4378  227.3693  255.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5706  228.0878  257.4069 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.5440  227.6612  258.3484 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9852  227.4215  259.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0933  226.9371  260.5670 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4444  225.4785  260.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8114  225.1900  258.8346 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1062  225.7812  258.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3112  225.2946  259.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3636  223.8243  259.3103 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0859  223.1037  259.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9453  223.7246  258.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3897  223.1162  258.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4706  222.9093  257.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5204  222.1587  256.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5072  221.6125  257.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4507  221.8213  258.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4058  222.5683  259.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5856  221.9028  255.0882 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.2541  227.7744  260.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4936  229.4787  256.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1122  225.4769  257.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9945  228.6593  260.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  7  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  1  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
-77.52739432,178.58728050,-75.23561741,54.82902804,61.83266842,68.81455294
-76.13572302,193.39330531,225.44646286,257.71237277,-3.09393447,-0.67685171
1.52406961

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443838/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10503

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.29497

>  <SCORE.INTRA.DIHEDRAL>
-4.37536

>  <SCORE.INTRA.DIHEDRAL.0>
7.549

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.000370667

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.10915

>  <SCORE.INTRA.VDW.0>
0.214677

>  <SCORE.INTRA.norm>
-0.189106

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.218037

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000535

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  229.3463  181.4260  246.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4674  181.7323  247.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1294  180.9326  247.3929 C   0  0  1  0  0  0  0  0  0  0  0  0
  227.4781  179.4643  247.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2000  178.3993  246.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5228  177.2369  247.4075 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.0272  177.5045  248.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4398  176.6234  249.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9232  177.1757  250.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9923  178.5554  251.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5567  179.4233  250.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0561  178.8932  248.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1888  181.4549  248.4264 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.7000  182.8240  248.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6646  182.9085  246.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4692  182.0408  247.1289 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.9665  180.6796  247.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9862  180.6097  248.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5152  182.5958  248.1421 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.9669  183.9687  247.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0542  185.0655  248.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5898  186.3256  248.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0264  186.5073  246.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9314  185.4305  246.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3994  184.1727  246.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3524  181.6527  248.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5049  181.0955  247.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5414  180.1449  247.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3790  179.7793  249.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1509  180.3770  250.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1305  181.3115  249.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2300  178.5697  249.6294 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  227.3786  176.3090  247.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  6  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
67.03996346,-118.52141727,66.02846604,61.95346757,-126.97432682,-54.02663189
224.08368748,180.96720753,248.27486931,-0.41067393,0.10971115,-0.35777103

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443840/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0489

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-1.35107

>  <SCORE.INTRA.DIHEDRAL>
-0.572438

>  <SCORE.INTRA.DIHEDRAL.0>
2.65314

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.06486

>  <SCORE.INTRA.VDW.0>
-2.48424

>  <SCORE.INTRA.norm>
-0.0422211

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.314029

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000100

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  188.3701  214.9232  260.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3585  213.9561  260.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0887  213.3319  258.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9857  212.4081  258.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1658  212.1200  259.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4446  212.7365  260.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5442  213.6505  260.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6990  211.7359  257.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4397  210.8044  256.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7236  210.4629  255.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5624  211.1970  255.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5591  211.9674  256.3739 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8329  212.6242  256.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.95881107,189.70899535,212.46619208,258.24434251,1.48629094,-0.47850623
0.99051264

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443841/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.98344

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-1.41656

>  <SCORE.INTRA.DIHEDRAL>
-3.08859

>  <SCORE.INTRA.DIHEDRAL.0>
3.09048

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.127741

>  <SCORE.INTRA.VDW.0>
-0.541952

>  <SCORE.INTRA.norm>
-0.118046

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.415287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000186

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  194.5529  193.9264  248.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2622  193.4401  247.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6857  194.2044  246.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3815  195.4085  246.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6634  195.8754  247.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2391  195.1228  248.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5007  195.5664  249.8519 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.6447  195.9045  244.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1033  194.9914  244.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5331  193.9768  244.7356 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3648  197.1631  244.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7727  197.2575  245.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6482  196.0570  244.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1364  194.9353  245.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8073  193.5186  245.1672 P   0  0  0  0  0  0  0  0  0  0  0  0
  200.2654  193.3822  245.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8804  192.5283  246.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3550  193.1930  243.6726 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0638  193.1738  244.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9421  192.6733  245.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3909  193.2848  243.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
56.30637341,54.12043791,-68.73793033,173.91820852,59.83989090,51.94516713
-51.21941719,196.73388832,194.67339548,245.94096537,-2.73463710,0.58628971
-0.94656338

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443850/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.57767

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-2.82233

>  <SCORE.INTRA.DIHEDRAL>
-1.33152

>  <SCORE.INTRA.DIHEDRAL.0>
2.11538

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.15657

>  <SCORE.INTRA.VDW.0>
-1.31275

>  <SCORE.INTRA.norm>
-0.156796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.420982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000979

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  194.6518  214.9912  247.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4266  214.3888  248.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4835  213.8228  249.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7645  213.8857  248.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0298  214.4800  247.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9392  215.0389  246.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4382  214.3465  246.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9659  213.6757  248.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9612  213.4159  248.9324 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2502  214.7495  245.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8453  214.1756  244.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4569  213.1272  244.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8780  214.7602  243.8320 O   0  5  0  0  0  0  0  0  0  0  0  0
  198.0716  212.9349  249.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  1  13  -1
M  END
>  <CHROM.1>
-57.10647306,-94.57225333,197.36972209,214.20141009,246.73614380,2.32063157
-0.27253111,1.77595001

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443851/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.62916

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.770844

>  <SCORE.INTRA.DIHEDRAL>
-1.48033

>  <SCORE.INTRA.DIHEDRAL.0>
2.68569

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0306765

>  <SCORE.INTRA.VDW.0>
-0.98313

>  <SCORE.INTRA.norm>
-0.0592957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.509935

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000440

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  193.6899  215.5782  264.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8629  215.1719  266.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2745  215.2157  267.3033 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.4105  217.0825  264.8112 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.3735  217.5260  263.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2690  218.1241  262.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2516  217.1133  262.6991 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1191  217.4201  265.4445 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8329  216.3705  266.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2305  217.3436  261.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3650  217.1776  264.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0362  218.4281  265.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <CHROM.1>
71.88009795,174.34480702,-42.82204370,-103.27756476,-80.54829803,-176.91598380
192.99829954,216.49412874,265.02457524,-1.73063560,0.33231568,-0.98914360

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443852/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19066

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.3

>  <SCORE.INTRA>
-3.20934

>  <SCORE.INTRA.DIHEDRAL>
1.03276

>  <SCORE.INTRA.DIHEDRAL.0>
1.63734

>  <SCORE.INTRA.POLAR>
-0.903871

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.652559

>  <SCORE.INTRA.VDW.0>
-0.126731

>  <SCORE.INTRA.norm>
-0.401167

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.898833

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.229035

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  209.2557  210.7873  245.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2068  209.7439  245.5533 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.9249  210.5237  245.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8420  210.9494  243.9765 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1050  210.6757  246.1215 O   0  5  0  0  0  0  0  0  0  0  0  0
  208.7117  208.9438  244.4641 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9312  207.9093  244.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7879  207.4201  244.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1157  206.3069  244.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5513  205.6872  242.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6981  206.1872  242.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3681  207.2981  242.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8718  204.4519  242.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0081  203.7679  241.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8431  204.1914  240.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9259  205.3358  239.8318 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5095  203.1611  239.6580 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2793  201.8185  239.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1910  200.8015  238.8367 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.2629  201.4604  240.7209 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4343  202.3994  241.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3747  202.1509  241.9294 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0911  200.0947  241.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1367  199.0461  240.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9242  197.7369  240.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6371  197.4637  241.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5622  198.5062  242.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7895  199.8152  242.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0199  196.4377  239.5026 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.1560  203.4367  238.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  1   5  -1
M  END
>  <CHROM.1>
83.48018067,177.61018439,-10.37682515,171.85454485,-44.36597946,206.77822664
203.76960764,242.05907327,-1.35607393,-1.02341877,-2.56952772

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443853/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.92104

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-3.47896

>  <SCORE.INTRA.DIHEDRAL>
-10.7524

>  <SCORE.INTRA.DIHEDRAL.0>
17.8238

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.89722

>  <SCORE.INTRA.VDW.0>
-1.98038

>  <SCORE.INTRA.norm>
-0.119964

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.238657

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 37  0  0  0  0  0  0  0  0999 V2000
  219.8238  176.4496  251.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1969  176.9032  250.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0295  177.6226  251.9250 N   0  3  0  0  0  0  0  0  0  0  0  0
  222.2578  176.7106  253.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0090  175.4247  252.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3738  178.0129  251.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1690  179.1045  252.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3349  178.8134  253.4282 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.5292  179.0482  254.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5794  179.3865  253.5399 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.4974  178.8244  255.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5374  178.8189  256.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2249  178.6401  256.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.4307  179.8090  256.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9190  179.5723  256.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1132  180.8691  256.0110 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.5944  180.5657  256.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1184  179.5123  255.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4581  181.9729  257.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1915  181.5851  258.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4881  181.4104  254.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7095  182.5744  254.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0475  183.8945  254.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2784  184.9590  253.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1587  184.7188  253.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8043  183.4141  252.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5719  182.3475  253.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2867  178.9211  252.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9245  179.9793  251.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7777  181.0688  251.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4136  182.0946  250.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1836  182.0558  249.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3277  180.9808  249.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6934  179.9531  250.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5217  178.7060  254.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.0704  177.7583  256.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  CHG  2   3   1  16   1
M  END
>  <CHROM.1>
59.12255142,60.32769568,162.00522302,-57.11529758,50.92046209,138.63653241
169.70793929,-80.17045410,156.34733115,-159.36619659,-177.45817940,-59.18990680
-58.85476055,172.85889518,84.16381295,-94.10634099,221.87779898,180.09335792
253.55325744,0.27158131,0.77668795,-2.18999025

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443854/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.4658

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.629412

>  <SCORE.INTRA>
-3.93416

>  <SCORE.INTRA.DIHEDRAL>
1.97515

>  <SCORE.INTRA.DIHEDRAL.0>
4.33466

>  <SCORE.INTRA.POLAR>
-0.150794

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.40903

>  <SCORE.INTRA.VDW.0>
6.61872

>  <SCORE.INTRA.norm>
-0.115711

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.513701

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  202.3494  214.4557  249.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1888  214.7462  248.5287 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8266  214.5213  249.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4992  213.0572  249.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3803  212.2129  248.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1690  210.7237  248.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3167  210.1399  249.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4594  209.5507  250.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8287  209.2177  250.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4288  209.6251  249.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5173  210.1842  248.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2770  216.2053  247.9300 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.2115  217.2919  249.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5818  216.3708  247.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1352  216.4559  246.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
-69.03235882,-61.00290835,-63.66955601,175.22831211,-62.52107219,117.83658886
200.89109670,213.08730056,248.82687595,-1.52740187,0.17155895,2.89591062

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443855/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0719

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-1.32805

>  <SCORE.INTRA.DIHEDRAL>
-0.755261

>  <SCORE.INTRA.DIHEDRAL.0>
1.33999

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.950424

>  <SCORE.INTRA.VDW.0>
5.4763

>  <SCORE.INTRA.norm>
-0.0885369

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.671463

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015546

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  215.4326  186.6802  239.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2067  185.5104  239.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3502  185.3704  238.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8590  184.5521  240.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9463  183.1494  239.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0103  182.6600  239.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7268  182.5014  239.7251 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7820  182.7858  238.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0080  182.3977  237.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0738  182.6973  236.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9159  183.4072  236.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6781  183.7901  238.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5962  183.4614  239.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2820  183.9784  240.6554 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.3448  182.1225  240.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
149.50244089,106.91596773,75.42954507,71.22933680,215.00492178,183.82745091
239.04964232,0.51530739,-0.11245092,0.86272209

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443856/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.88509

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-3.51491

>  <SCORE.INTRA.DIHEDRAL>
-0.0831811

>  <SCORE.INTRA.DIHEDRAL.0>
3.57827

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.47332

>  <SCORE.INTRA.VDW.0>
-0.0534995

>  <SCORE.INTRA.norm>
-0.251065

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.420364

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000176

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  222.6827  182.8640  243.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6994  181.7242  244.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0726  180.9955  245.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2660  182.1224  244.1269 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.3439  181.5720  243.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5668  182.2626  241.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3746  180.0508  242.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8567  183.0847  245.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6808  183.6568  245.7939 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3556  183.3598  245.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6888  182.9391  246.8419 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.2597  181.3138  247.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5610  180.5090  246.0446 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0972  179.3976  246.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6906  178.2702  246.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1693  177.2443  246.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0414  177.3299  248.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4689  178.4520  248.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0261  179.4841  248.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5219  180.7525  248.2652 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5978  181.4416  249.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2630  182.7930  249.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6190  183.8996  250.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1786  185.1782  250.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3836  185.3670  249.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0361  184.2756  248.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4736  183.0044  248.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1035  181.9799  248.2813 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
114.92247776,-75.81010211,117.08928123,-51.55751278,-24.67408896,-39.30743920
129.29774826,219.70049165,181.70265501,246.68224831,-0.79265939,1.37804256
0.38109368

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443857/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71581

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-4.68419

>  <SCORE.INTRA.DIHEDRAL>
-0.8465

>  <SCORE.INTRA.DIHEDRAL.0>
7.84063

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.26094

>  <SCORE.INTRA.VDW.0>
-2.0009

>  <SCORE.INTRA.norm>
-0.167292

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.275565

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  218.8480  180.0052  252.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2884  181.3771  252.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0586  181.8955  252.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0448  183.2631  252.6995 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2376  183.5714  253.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0199  182.4666  253.2897 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8578  181.2084  251.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4740  181.3140  253.0955 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.0780  181.8635  252.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0677  183.3841  252.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2370  184.1223  251.7737 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4661  184.3922  250.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7951  185.0986  249.5991 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5675  185.8115  249.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5983  183.7383  250.0055 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0213  183.9298  248.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4574  184.0369  247.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9811  182.4594  253.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0538  184.0271  252.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.3499  183.6503  250.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <CHROM.1>
114.84943818,132.51295212,-95.71285486,63.93874396,76.37372076,63.71825184
-178.32049639,215.66270843,182.91050309,251.57634194,-0.81846442,0.12445413
-0.91030382

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443858/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.97723

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.729412

>  <SCORE.INTRA>
-10.4228

>  <SCORE.INTRA.DIHEDRAL>
1.07547

>  <SCORE.INTRA.DIHEDRAL.0>
4.33523

>  <SCORE.INTRA.POLAR>
-2

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.16051

>  <SCORE.INTRA.VDW.0>
0.699703

>  <SCORE.INTRA.norm>
-0.613104

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.116308

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  199.2753  185.9881  244.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3980  186.9413  244.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2540  188.2944  244.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2900  189.1967  244.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5446  188.7750  244.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6780  187.3994  245.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6121  186.5033  244.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6951  189.7197  245.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3576  189.9065  246.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4065  190.8161  246.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8077  191.6017  245.4500 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1789  191.4387  244.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1762  190.5209  243.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9133  190.6413  242.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6873  191.6063  241.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6116  192.4790  243.0149 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.7294  191.9718  240.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7904  191.7651  239.6989 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9721  192.5782  239.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8993  193.2476  238.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0483  193.8144  238.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2860  193.7130  238.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3579  193.0365  239.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2157  192.4584  240.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5337  194.2948  238.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0564  189.8796  241.8062 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1787  190.9324  247.5959 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9667  189.2128  247.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6834  188.6671  248.5016 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5113  189.1083  242.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7998  190.1370  240.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6025  190.0653  247.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.6055  191.3631  248.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 27 32  1  0  0  0  0
 27 33  1  0  0  0  0
 28 29  3  0  0  0  0
M  END
>  <CHROM.1>
123.65827189,54.60100739,23.70232823,-162.91563819,204.48849761,190.68613062
243.10929063,2.29054170,0.62933347,1.78435833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443859/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.97438

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-1.42562

>  <SCORE.INTRA.DIHEDRAL>
-3.31443

>  <SCORE.INTRA.DIHEDRAL.0>
10.9569

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.231593

>  <SCORE.INTRA.VDW.0>
-2.23257

>  <SCORE.INTRA.norm>
-0.0491593

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.274979

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  212.7381  191.7896  251.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3357  190.4676  251.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7199  189.7648  250.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4899  190.3642  249.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8893  191.6864  249.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5140  192.3983  250.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6595  192.3225  247.9295 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.7804  189.6094  248.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5806  188.4071  248.2748 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3772  190.4272  247.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5329  189.8220  246.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1833  189.3212  246.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6984  188.2606  246.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5826  190.1720  247.6890 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9829  190.2509  249.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5561  191.4119  249.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9605  191.5609  250.8478 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8072  190.4856  251.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2738  189.2772  251.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8488  189.1629  249.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6991  192.8528  248.6312 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.3680  188.4915  250.7391 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.6154  190.4378  247.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-13.79993768,-172.39855323,63.12322342,-140.37708156,-77.89639649,114.46104145
209.91281877,190.51393531,249.09994478,-0.21365070,-0.73093490,-0.74650600

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443860/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.75248

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-5.64752

>  <SCORE.INTRA.DIHEDRAL>
-4.61112

>  <SCORE.INTRA.DIHEDRAL.0>
7.92177

>  <SCORE.INTRA.POLAR>
0.302319

>  <SCORE.INTRA.POLAR.0>
-0.302319

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.36985

>  <SCORE.INTRA.VDW.0>
-1.02317

>  <SCORE.INTRA.norm>
-0.256705

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.261476

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000848

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  221.5987  177.7804  248.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7868  179.2299  248.1372 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.5993  180.0692  248.7077 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.3843  181.5540  248.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8505  181.9889  247.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2418  182.7688  246.9911 P   0  0  2  0  0  0  0  0  0  0  0  0
  222.4101  183.5099  245.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3662  181.7082  247.2979 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7835  181.0086  248.6448 P   0  0  2  0  0  0  0  0  0  0  0  0
  225.2507  180.9788  248.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0859  179.5714  248.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9590  181.7593  249.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2847  183.7732  248.2461 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5746  179.9698  250.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8063  179.1594  246.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1380  179.0251  246.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7036  182.6643  249.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.5606  184.4280  248.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3764  180.4166  250.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.6258  179.8354  246.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  1  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
-92.25786571,66.81769916,-64.02289011,-23.85623268,-64.56384617,222.38300586
181.04008628,247.98688279,1.68864762,0.08336064,2.80733455

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443861/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.551

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-4.849

>  <SCORE.INTRA.DIHEDRAL>
3.42169

>  <SCORE.INTRA.DIHEDRAL.0>
2.55654

>  <SCORE.INTRA.POLAR>
-1.89169

>  <SCORE.INTRA.POLAR.0>
-0.644013

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.128091

>  <SCORE.INTRA.VDW.0>
-0.710295

>  <SCORE.INTRA.norm>
-0.303062

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.0969376

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019824

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  211.4648  195.7371  246.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8087  195.5652  247.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1846  194.0985  247.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0786  193.2654  248.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7675  193.4337  247.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3516  194.8885  247.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9215  193.7667  249.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6839  193.2634  250.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6281  193.8788  250.2755 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8465  192.0494  250.8021 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4586  191.7587  248.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3595  190.8817  248.4587 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0343  191.7470  251.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2122  191.0147  249.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6849  189.9116  248.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
166.96663861,-169.47412697,-94.01072830,178.92412820,-69.72852690,211.42793788
193.49553331,248.44571155,1.17966435,0.84084103,-0.52399031

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443862/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.64301

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.75699

>  <SCORE.INTRA.DIHEDRAL>
0.438981

>  <SCORE.INTRA.DIHEDRAL.0>
2.15705

>  <SCORE.INTRA.POLAR>
-0.352083

>  <SCORE.INTRA.POLAR.0>
-0.647917

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.779395

>  <SCORE.INTRA.VDW.0>
-0.216263

>  <SCORE.INTRA.norm>
-0.146416

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.636918

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004833

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  212.8395  181.2847  243.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0567  182.6595  243.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0255  184.0424  242.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0027  183.8460  241.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5657  182.2343  240.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5254  181.0526  241.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6585  185.2187  240.7280 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.1332  186.6976  240.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0696  187.0689  241.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9352  187.6100  240.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0699  185.2811  240.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5190  188.4969  240.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.3396  186.1157  240.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-21.04017902,-13.97979921,-178.66453699,174.78406800,214.70632345,184.43924989
241.61839162,2.09730594,-0.66820963,3.12083179

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443863/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.37435

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-4.02565

>  <SCORE.INTRA.DIHEDRAL>
-5.2268

>  <SCORE.INTRA.DIHEDRAL.0>
7.86152

>  <SCORE.INTRA.POLAR>
0.0226892

>  <SCORE.INTRA.POLAR.0>
-0.408719

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.48939

>  <SCORE.INTRA.VDW.0>
1.21175

>  <SCORE.INTRA.norm>
-0.365968

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.306759

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042727

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  218.8223  180.9030  255.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7275  179.8451  254.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6888  180.1135  253.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5361  179.4549  252.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8751  180.0711  251.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6550  181.1340  251.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8892  181.2542  252.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2401  181.8797  250.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0303  181.5494  249.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2508  180.4815  249.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6752  179.7327  251.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1793  183.1868  249.4975 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-110.56819010,216.74369777,181.09848478,251.45030562,-1.00430460,-0.59420901
-0.84568708

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443864/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.77574

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.624264

>  <SCORE.INTRA.DIHEDRAL>
0.167486

>  <SCORE.INTRA.DIHEDRAL.0>
0.000263521

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.708006

>  <SCORE.INTRA.VDW.0>
0.766984

>  <SCORE.INTRA.norm>
-0.052022

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.481311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001486

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  191.8451  219.0054  255.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5036  218.7317  256.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0415  217.4800  257.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7451  217.2686  258.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8906  218.3058  259.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3359  219.5552  258.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6405  219.7650  257.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1876  215.7373  258.9903 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.8689  216.4386  256.1879 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2177  215.8136  256.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-155.62441510,190.97050690,217.64004444,257.74147065,0.12398735,-1.23444815
-2.08832236

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443865/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.95605

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.443947

>  <SCORE.INTRA.DIHEDRAL>
0.705497

>  <SCORE.INTRA.DIHEDRAL.0>
0.112629

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.796696

>  <SCORE.INTRA.VDW.0>
1.18479

>  <SCORE.INTRA.norm>
-0.0493275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.550673

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001343

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  192.1057  205.1426  252.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8797  204.9073  251.2903 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.4061  205.0651  250.8693 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.1384  204.6892  249.3963 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.6532  204.6262  249.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9952  203.5498  249.6684 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7802  205.7001  248.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5842  204.2651  251.7379 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7318  205.7365  250.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5186  206.4555  253.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1047  207.5246  253.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3070  206.3458  253.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1860  203.6446  250.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.7099  205.7438  248.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6236  204.7199  252.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6606  205.4879  250.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.9240  207.1903  254.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  1  0  0  0
  4  5  1  1  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <CHROM.1>
-52.17601884,-83.62595789,-173.99997538,62.24947337,171.01111952,69.88037141
-66.85148655,53.12260434,52.21957168,179.15335100,190.66398714,205.34184061
251.16717221,0.95165299,0.44124979,1.35487782

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443882/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.06454

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-11.4645

>  <SCORE.INTRA.DIHEDRAL>
-3.5679

>  <SCORE.INTRA.DIHEDRAL.0>
8.1279

>  <SCORE.INTRA.POLAR>
-2.34054

>  <SCORE.INTRA.POLAR.0>
-0.242453

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.72275

>  <SCORE.INTRA.VDW.0>
1.21491

>  <SCORE.INTRA.norm>
-0.955378

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
-0.0887117

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  205.6301  223.4555  260.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7300  224.4412  260.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2821  225.3878  261.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9299  223.6469  261.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2093  225.1744  259.5311 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2321  226.2159  258.6247 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.1277  226.6641  259.4386 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1296  227.1854  258.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5479  225.3123  257.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0422  224.4482  256.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9782  223.9788  255.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7460  224.4756  255.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8484  225.5625  257.0121 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.4678  224.0335  255.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1671  223.8263  257.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5454  223.4594  257.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3602  223.2336  258.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6452  222.8880  258.1273 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.3735  224.3393  259.1315 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.8020  222.2371  259.0851 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.8204  224.6424  258.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
63.89311627,21.75065798,-46.91580238,39.05818486,-178.51948659,179.44189874
179.80326839,207.11710108,224.61649717,258.32864879,2.98342951,0.42284223
-1.77339435

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443883/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.42191

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-6.97809

>  <SCORE.INTRA.DIHEDRAL>
-4.76274

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-0.999724

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.19766

>  <SCORE.INTRA.VDW.0>
-3.45491

>  <SCORE.INTRA.norm>
-0.348905

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.271095

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001484

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  215.2568  191.8344  245.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2972  192.7038  245.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5724  193.4231  246.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8127  193.2424  247.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7580  192.3858  246.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5079  191.6703  245.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9480  192.3520  247.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9290  191.6711  247.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7027  193.2380  248.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3269  193.8161  248.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6927  194.5785  249.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7568  194.2926  249.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0023  194.0038  248.6662 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9861  194.9244  248.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2764  194.6809  248.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3111  195.6231  248.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0427  196.8495  249.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7652  197.1416  249.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7429  196.1842  249.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4566  196.4578  249.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4516  195.5068  249.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3177  198.0735  249.1336 S   0  0  0  0  0  0  0  0  0  0  0  0
  225.5671  197.3756  249.3142 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0994  199.0239  248.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0271  198.8027  250.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6106  193.1016  247.5939 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.0136  193.0693  246.2771 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0131  192.8072  247.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7809  192.0423  248.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0627  198.1235  251.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.8352  192.2387  248.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
-29.29151984,74.79664642,-33.51887215,58.81534948,66.73789853,220.35440186
194.63620140,248.23601636,-2.58918867,0.02553460,0.45857332

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443884/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.30706

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.289655

>  <SCORE.INTRA>
-5.09294

>  <SCORE.INTRA.DIHEDRAL>
-1.81684

>  <SCORE.INTRA.DIHEDRAL.0>
4.99376

>  <SCORE.INTRA.POLAR>
-1.46088

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.782478

>  <SCORE.INTRA.VDW.0>
-3.31441

>  <SCORE.INTRA.norm>
-0.175618

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.114037

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  188.5052  210.6095  259.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3232  211.3985  258.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9582  212.7142  258.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7685  213.2556  258.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3924  214.5763  258.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1968  215.0904  259.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3738  214.3101  259.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7449  212.9958  260.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9354  212.4543  259.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3195  211.1337  259.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7587  216.7665  258.7116 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.3358  216.9438  258.9109 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7515  217.6389  259.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0452  216.8599  256.6898 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
159.87399626,186.67201016,214.65027087,258.75249310,-1.02884800,0.68113412
-0.57329012

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443885/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37314

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.0268561

>  <SCORE.INTRA.DIHEDRAL>
-0.0497778

>  <SCORE.INTRA.DIHEDRAL.0>
1.21956

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00196717

>  <SCORE.INTRA.VDW.0>
-0.714946

>  <SCORE.INTRA.norm>
-0.00191829

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.455225

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.067039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  196.9958  216.4911  243.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0999  215.4203  244.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4510  215.3072  244.9687 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4619  214.7707  246.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5027  213.2178  246.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4299  212.4661  245.6199 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1642  212.9828  244.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3695  214.5119  244.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8498  212.5889  246.0351 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1181  211.9954  247.4712 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5836  210.5536  247.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5006  209.7186  246.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5267  210.7429  246.2686 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.6279  211.7154  247.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8679  211.6962  245.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3814  211.7717  244.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9683  212.8970  243.4043 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6610  213.5480  243.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  6  1  6  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
154.46935581,61.93547690,92.04942116,200.15126109,212.91570726,245.48071092
-2.46651307,-0.59319563,2.08225259

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443886/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.59226

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-1.80774

>  <SCORE.INTRA.DIHEDRAL>
-1.37212

>  <SCORE.INTRA.DIHEDRAL.0>
2.26474

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12168

>  <SCORE.INTRA.VDW.0>
0.276779

>  <SCORE.INTRA.norm>
-0.106338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.328957

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000219

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  202.8062  198.7743  243.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7825  199.8996  243.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5031  199.6567  244.4179 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.7664  199.7810  245.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3786  200.6481  244.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8496  200.5662  242.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1677  199.2319  242.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8745  201.7192  242.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <CHROM.1>
71.58700935,63.17592012,64.18850160,200.01811020,200.02768171,243.60336763
-0.35700988,0.45585270,-1.81540991

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443887/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.98717

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-0.41283

>  <SCORE.INTRA.DIHEDRAL>
0.708852

>  <SCORE.INTRA.DIHEDRAL.0>
0.0779551

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.767256

>  <SCORE.INTRA.VDW.0>
1.17084

>  <SCORE.INTRA.norm>
-0.0516038

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.998396

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009600

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  218.8550  189.2941  240.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4213  187.8623  240.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6355  187.7811  239.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6466  186.6545  238.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5365  185.7497  238.5579 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4293  186.0550  239.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3121  187.0016  240.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0487  185.0248  238.9715 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.6593  187.2542  237.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8874  185.7704  238.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8232  187.5022  241.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6611  184.2463  238.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <CHROM.1>
-0.61967396,219.31464445,186.69474924,239.34830669,0.60681181,0.38936747
0.79243836

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443888/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39998

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-1.86192e-05

>  <SCORE.INTRA.DIHEDRAL>
2.46639e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.000275512

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.09512e-05

>  <SCORE.INTRA.VDW.0>
-0.056814

>  <SCORE.INTRA.norm>
-1.69266e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581816

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004852

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  187.4747  215.1473  263.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4622  216.6456  263.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8197  217.0345  262.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8531  218.5511  262.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2847  219.0086  260.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2959  220.3581  260.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8131  221.1794  261.4765 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7726  220.6392  259.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7654  221.9001  258.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6237  222.1480  257.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5991  221.2836  256.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7493  223.4867  257.2811 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7320  223.9013  255.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8724  225.4090  255.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8411  225.7479  254.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9723  227.2340  253.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99705458,179.34633684,179.92069438,5.15818150,-175.48071980,-5.18548974
175.80551866,179.89355484,-179.94593838,179.88417585,186.25454030,221.22887988
259.03387316,1.11937189,1.31126642,2.82289854

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443889/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.859931

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.9625

>  <SCORE.INTRA>
-14.5401

>  <SCORE.INTRA.DIHEDRAL>
-30.639

>  <SCORE.INTRA.DIHEDRAL.0>
31.1323

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.779407

>  <SCORE.INTRA.VDW.0>
-0.244572

>  <SCORE.INTRA.norm>
-0.908754

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.0537457

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.059459

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  196.0028  217.5634  245.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9950  217.4621  243.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0149  218.0442  243.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0692  218.6875  243.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0938  218.7464  245.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0339  218.2410  245.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0032  218.3219  247.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8084  219.0375  248.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8956  219.9680  247.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0927  220.5271  246.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6971  220.1729  248.8696 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9280  220.7290  249.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1658  220.6761  250.3968 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0967  220.0328  251.0146 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2622  219.7210  250.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7587  218.8952  249.9666 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.8670  221.1382  248.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6290  219.9406  247.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6839  218.9433  246.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4365  218.9987  245.5814 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1622  218.0242  247.6799 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2390  217.0007  247.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0241  216.6967  246.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1752  215.6421  245.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5109  214.9039  246.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6885  215.2342  247.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5459  216.2775  248.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4673  213.5795  246.2686 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.0093  215.2910  243.9714 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.3683  219.4388  242.9033 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.9182  217.9237  241.3926 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.3142  218.2103  248.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-172.29855694,-79.60294873,62.82074205,93.12871607,13.74263298,198.92417109
218.01888732,246.33126959,2.54936063,-1.11405306,-1.13167535

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443890/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.10882

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-8.29118

>  <SCORE.INTRA.DIHEDRAL>
-4.65057

>  <SCORE.INTRA.DIHEDRAL.0>
8.22663

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.9659

>  <SCORE.INTRA.VDW.0>
-1.75965

>  <SCORE.INTRA.norm>
-0.267457

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0680264

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000067

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  191.8504  225.1816  255.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8243  224.1089  255.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2794  224.3717  253.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1590  224.4176  252.9539 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1342  225.3855  253.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6758  225.2168  254.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6384  224.6261  251.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5085  224.5795  250.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8886  223.2152  250.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8599  222.1814  249.9591 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0243  222.1566  250.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6496  223.5236  251.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1985  220.8646  249.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6046  220.5011  248.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6364  220.2693  247.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1001  221.5307  246.8660 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4714  221.9527  245.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4827  221.1828  244.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8125  221.6099  243.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0943  222.8064  243.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0798  223.5937  244.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7823  223.1856  245.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7952  224.0235  246.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2073  224.5579  247.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3091  223.5811  247.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2275  222.1640  247.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3457  221.3975  247.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5150  221.9876  248.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6057  223.3684  248.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5216  224.1538  247.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8581  221.0066  248.6852 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.4007  225.9785  251.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5117  226.8145  252.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9328  226.2857  250.1396 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3634  226.4244  249.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8780  225.9578  249.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
175.87551201,-4.89489538,88.65998148,66.76032488,-82.27576453,-95.84750469
63.59236011,192.63554399,223.22098333,249.31411937,1.49513008,-0.33340129
1.19574254

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443891/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.41187

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-4.98813

>  <SCORE.INTRA.DIHEDRAL>
0.577085

>  <SCORE.INTRA.DIHEDRAL.0>
5.35303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.27667

>  <SCORE.INTRA.VDW.0>
-0.617679

>  <SCORE.INTRA.norm>
-0.14671

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.217996

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000341

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  195.4536  221.5398  256.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5280  220.9484  257.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0388  220.0879  258.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1955  219.5200  259.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8324  219.8144  259.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3056  220.6724  258.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1563  221.2361  257.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7416  219.0483  260.4988 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.9104  220.0900  261.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1618  217.9177  259.8017 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7147  218.4815  261.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1973  218.3953  263.0200 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.0328  217.3963  263.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3246  217.9572  264.0009 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0254  216.6814  263.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2812  219.0209  264.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7272  220.4362  264.7879 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.5880  220.1485  265.6389 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8691  221.1760  265.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0984  221.3816  263.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9019  221.5132  262.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4491  222.2650  261.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1947  222.8841  261.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3974  222.7335  262.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8441  221.9786  263.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7053  223.7157  260.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
131.92277172,150.44047220,63.55556741,-52.54005972,60.01232645,29.02510253
-48.84279442,192.95242319,220.16559424,261.61696503,-1.29573153,1.43220351
1.50869166

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443892/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.2295

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-5.1705

>  <SCORE.INTRA.DIHEDRAL>
0.71943

>  <SCORE.INTRA.DIHEDRAL.0>
3.03065

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.53022

>  <SCORE.INTRA.VDW.0>
-0.129736

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.278058

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000344

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  202.5896  198.7300  237.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9743  199.8388  238.2931 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4302  199.8011  239.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3103  201.1382  237.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2486  202.2250  237.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9406  201.9432  237.3578 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8235  202.3589  238.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8080  203.3865  238.7339 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6099  201.4498  237.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8163  200.0322  238.5303 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.4642  199.2613  238.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6422  197.8319  239.0802 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.1745  197.8979  240.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5179  198.6422  240.5450 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3140  200.0684  240.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5353  197.9091  239.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0044  197.8080  238.2159 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6576  197.0703  238.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8094  199.2245  237.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8845  201.7969  236.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
153.29369917,-63.88169200,145.38506680,33.01925537,62.72593109,173.09229289
199.29736217,199.85049960,238.63010353,-0.67144121,-0.12465012,2.92511070

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443893/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.95122

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-3.44878

>  <SCORE.INTRA.DIHEDRAL>
0.235204

>  <SCORE.INTRA.DIHEDRAL.0>
3.26164

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.56639

>  <SCORE.INTRA.VDW.0>
0.827777

>  <SCORE.INTRA.norm>
-0.181515

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.418485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000352

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  190.6693  214.3587  248.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1639  215.7911  248.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2901  215.9110  249.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7527  217.1514  249.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9143  218.0951  248.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8317  217.1485  250.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6391  217.0698  252.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7461  217.0477  253.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5986  216.9717  254.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7326  216.9532  255.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5989  216.8732  257.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7394  216.8579  258.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6087  216.7836  259.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7551  216.7605  260.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6131  216.6875  262.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7971  216.6721  263.3052 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.97357214,3.77307680,72.14511580,-179.32996972,-179.87397171,179.78858496
179.83979755,179.85179932,-179.76439109,-179.69736965,-179.97217362,179.90617527
188.58998488,216.68642012,254.73034451,-1.40234437,-0.88893538,1.66838474

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443894/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.8173

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.0875

>  <SCORE.INTRA>
-3.58271

>  <SCORE.INTRA.DIHEDRAL>
-5.57436

>  <SCORE.INTRA.DIHEDRAL.0>
6.87147

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.795529

>  <SCORE.INTRA.VDW.0>
0.214867

>  <SCORE.INTRA.norm>
-0.223919

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.863581

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.053640

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 65 67  0  0  0  0  0  0  0  0999 V2000
  216.8374  180.6860  247.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5278  181.0192  246.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6773  180.3170  245.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2881  182.5858  246.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6613  183.7342  247.0238 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3266  183.9114  247.2140 P   0  0  1  0  0  0  0  0  0  0  0  0
  219.6932  185.1764  247.9184 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2214  182.8625  248.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6230  183.0457  246.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5323  184.0757  245.4730 P   0  0  1  0  0  0  0  0  0  0  0  0
  222.8317  183.6057  246.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3317  182.9481  244.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4416  185.1057  244.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6784  186.4356  244.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4274  187.2077  245.2873 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.7604  188.4635  246.1184 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.5899  189.3828  245.7653 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2099  188.9716  244.3232 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.8017  187.6825  244.0821 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7901  188.8737  244.0359 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0694  189.7046  243.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8058  189.3505  243.1279 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6873  188.2735  243.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5876  187.4808  244.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7760  186.5099  245.2759 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0233  186.3324  245.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1553  187.0098  245.4753 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9075  187.9738  244.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3034  187.6646  243.8528 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.5456  189.1840  246.7234 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0293  188.9581  245.6927 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6673  190.2985  246.2694 P   0  0  0  0  0  0  0  0  0  0  0  0
  222.8629  191.5434  246.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0449  190.3217  245.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2795  189.9160  247.6902 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9781  180.3586  246.4309 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.3458  178.8264  246.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4553  177.9682  246.6441 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6521  178.4699  246.9789 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.7125  178.4973  245.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6781  177.3125  244.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4200  177.2977  244.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4895  176.5435  244.4205 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4305  178.2115  243.1606 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2865  178.4757  242.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6187  179.8526  242.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2379  181.5526  242.0189 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.9597  182.6963  242.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9586  182.2937  242.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0469  184.1105  241.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1025  185.0486  242.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2111  184.6626  242.7164 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8465  186.3667  242.3449 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6392  180.6542  245.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0554  183.0056  248.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.0569  183.4143  243.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6809  188.1131  244.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9614  186.8327  243.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1663  188.2926  246.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.4860  189.4568  245.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.5683  189.6894  248.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.7897  177.8231  247.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3131  178.6172  242.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5590  186.9731  242.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.1201  181.4911  245.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  1  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  1  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 56  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  6  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 60  1  0  0  0  0
 35 61  1  0  0  0  0
 36 37  1  6  0  0  0
 36 54  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 62  1  0  0  0  0
 40 41  1  0  0  0  0
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 42 43  2  0  0  0  0
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 48 50  1  0  0  0  0
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 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 64  1  0  0  0  0
 54 65  1  0  0  0  0
M  END
>  <CHROM.1>
56.45162686,56.65718999,65.54784109,170.87456170,-163.30354920,113.98891157
131.76548552,133.34519938,-68.46027773,-55.09838471,165.40903060,176.39233693
-67.09346869,111.45154764,-104.32889233,-52.05847034,-51.34446932,-67.13260646
11.43052143,89.60916058,-73.82040433,-77.08574132,63.53229812,-102.58259668
111.37637419,69.31364726,175.76366595,6.76061052,-66.02515267,31.95493573
-178.25457376,219.75690307,184.42148268,245.07877872,1.76288465,0.35446027
3.12254971

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443896/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-13.7018

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.544444

>  <SCORE.INTRA>
-43.1018

>  <SCORE.INTRA.DIHEDRAL>
-5.92776

>  <SCORE.INTRA.DIHEDRAL.0>
29.002

>  <SCORE.INTRA.POLAR>
-4.18096

>  <SCORE.INTRA.POLAR.0>
-0.572029

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-25.9227

>  <SCORE.INTRA.VDW.0>
5.74427

>  <SCORE.INTRA.norm>
-0.798181

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
-0.253737

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039153

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  198.8774  196.9531  254.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5511  196.1953  253.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8360  194.8298  254.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4349  194.0872  252.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7072  194.7324  251.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4775  196.1006  251.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8980  196.8288  252.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1724  194.1055  250.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6790  192.6430  253.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8668  191.8903  252.2913 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6961  192.1026  254.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6143  190.7663  254.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6251  190.1271  256.0106 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7631  190.8558  257.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8324  190.3576  258.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8690  192.3420  257.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7770  192.9059  255.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1058  193.1361  258.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3320  193.8378  259.1131 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4963  188.7008  256.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6895  187.9172  254.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4990  186.5341  254.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0902  185.9137  256.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8949  186.6859  257.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1144  188.0705  257.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8633  184.5685  256.0538 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1728  183.7741  257.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2730  193.1566  250.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  3  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
161.40226545,0.29633853,165.12390028,15.80986867,146.29906190,200.44234559
191.30877470,255.14012522,-1.67341909,1.55476543,2.87789655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443897/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.90917

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-2.49083

>  <SCORE.INTRA.DIHEDRAL>
-10.8023

>  <SCORE.INTRA.DIHEDRAL.0>
15.4714

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.91032

>  <SCORE.INTRA.VDW.0>
0.36338

>  <SCORE.INTRA.norm>
-0.0922529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.255895

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000688

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  209.5864  208.9941  252.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2867  207.4993  252.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0118  207.2929  253.0302 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7424  205.9130  253.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3824  206.9197  251.1224 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7132  206.6950  250.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
-172.16225685,77.24063987,209.10768584,207.21031900,252.14335331,-0.06491738
0.74667551,0.36945179

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443907/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.98173

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-1.41827

>  <SCORE.INTRA.DIHEDRAL>
0.89342

>  <SCORE.INTRA.DIHEDRAL.0>
0.871347

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.86498

>  <SCORE.INTRA.VDW.0>
3.51353

>  <SCORE.INTRA.norm>
-0.236378

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
0.996956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043829

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  194.8475  219.2269  257.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2824  218.8550  257.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0509  219.7386  258.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4030  219.4714  258.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0068  218.3160  258.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2534  217.4164  257.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9007  217.6964  257.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2442  216.7714  256.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8892  216.1567  256.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1936  220.4096  259.4645 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.6249  221.4224  259.8958 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3870  220.1341  259.6679 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.3162  217.0142  256.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <CHROM.1>
-1.72283051,197.84975894,218.81817987,258.09114784,2.15876800,0.26906761
-2.60657059

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443908/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3998

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-0.000196238

>  <SCORE.INTRA.DIHEDRAL>
0.00440603

>  <SCORE.INTRA.DIHEDRAL.0>
3.75176e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00239925

>  <SCORE.INTRA.VDW.0>
0.529093

>  <SCORE.INTRA.norm>
-1.63531e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.449984

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000749

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  200.8271  217.4716  253.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0573  217.7765  252.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3757  217.2486  251.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4974  216.4083  251.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2853  216.0896  252.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9379  216.6292  253.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3604  215.2550  251.9101 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4051  214.9649  250.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1470  215.6218  249.6753 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.3612  214.1906  250.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0665  213.2704  249.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0649  214.6267  249.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
109.08018917,202.09162489,216.05486568,251.33618545,-2.40503713,0.60761057
-1.79506181

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443909/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.32346

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.0765403

>  <SCORE.INTRA.DIHEDRAL>
0.00714234

>  <SCORE.INTRA.DIHEDRAL.0>
0.472525

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0801114

>  <SCORE.INTRA.VDW.0>
-0.202724

>  <SCORE.INTRA.norm>
-0.00765403

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.632346

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000661

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  191.9118  214.8814  265.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3913  214.5973  265.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7234  213.6188  264.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4529  212.7844  264.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3192  213.5318  265.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1523  212.5253  262.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9060  213.3765  261.9828 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2000  211.1628  262.6298 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4053  210.4836  263.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3972  209.2795  264.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5952  211.4309  264.8078 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9985  210.5543  261.3829 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7370  211.1493  265.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0906  210.0780  261.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7027  209.8203  261.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
-109.02983999,192.36375091,212.30805992,263.82875088,1.18621564,-1.34918187
0.17146380

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443910/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.2348

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.165199

>  <SCORE.INTRA.DIHEDRAL>
-0.0322055

>  <SCORE.INTRA.DIHEDRAL.0>
0.791926

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.149096

>  <SCORE.INTRA.VDW.0>
-0.110222

>  <SCORE.INTRA.norm>
-0.0137666

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.519567

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002721

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  212.1284  196.5770  250.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5216  196.0254  250.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4557  196.8901  250.7266 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7083  196.4078  251.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7423  197.3248  251.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9469  196.9142  251.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1191  195.5823  252.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1093  194.6485  252.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9149  195.0633  251.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8413  194.1039  251.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9673  192.9278  251.4013 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7336  194.6545  250.4224 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6922  193.8785  249.9689 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7827  192.7067  249.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9903  191.9770  248.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0708  190.5856  249.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2241  189.8808  248.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3374  190.5591  248.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2748  191.9368  248.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1074  192.6465  248.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1528  194.3454  248.0092 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.5839  192.0992  249.0256 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5930  192.7579  249.4093 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3330  192.2015  249.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1584  190.9656  248.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8793  190.4468  248.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7483  191.1540  248.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8931  192.3827  249.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1728  192.8971  249.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2766  194.4278  250.2810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
153.81926726,141.73819632,-5.20082457,3.03061719,213.03027617,193.60099316
249.76196352,0.38295433,-0.01484177,0.47319230

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443911/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.836572

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-8.56343

>  <SCORE.INTRA.DIHEDRAL>
-18.6058

>  <SCORE.INTRA.DIHEDRAL.0>
26.1841

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.117846

>  <SCORE.INTRA.REPUL.0>
0.00167005

>  <SCORE.INTRA.VDW>
0.150267

>  <SCORE.INTRA.VDW.0>
-3.02897

>  <SCORE.INTRA.norm>
-0.285448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0278857

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000112

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  197.0253  216.3538  247.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4184  217.1663  249.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0431  218.5087  248.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2903  217.3503  249.9393 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2676  216.8849  251.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0004  217.0535  251.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2646  217.8045  250.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9597  218.3418  250.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5283  219.0400  249.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3684  219.1972  248.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6589  218.6642  248.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0937  217.9772  249.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5304  216.5829  253.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2188  215.8617  253.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6520  215.5039  253.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8409  215.2072  253.3033 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5122  215.4599  255.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3478  215.8272  255.3577 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2337  214.7271  256.1253 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6956  214.1662  257.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5620  213.4931  258.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0760  212.9073  259.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7215  212.9775  259.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8506  213.6409  258.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3355  214.2272  257.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1969  212.4024  260.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2312  214.6107  255.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9133  211.9902  261.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  3  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
118.47186298,-1.83118015,-1.91790031,-177.34940075,1.39901550,194.96583130
216.01986459,253.43724987,-1.42651754,-0.32752202,2.05897700

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443912/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.97207

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-1.42793

>  <SCORE.INTRA.DIHEDRAL>
-3.71883

>  <SCORE.INTRA.DIHEDRAL.0>
6.16067

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.431486

>  <SCORE.INTRA.VDW.0>
0.270058

>  <SCORE.INTRA.norm>
-0.0549203

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.306618

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000920

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  205.9590  199.9784  243.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7458  199.2684  243.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6288  198.9912  242.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5120  198.3089  241.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5542  197.8250  242.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6449  198.1279  243.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7331  198.8524  244.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4353  198.1385  240.2313 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3982  198.6439  238.9514 Si  0  0  0  0  0  0  0  0  0  0  0  0
  204.3134  200.5432  238.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7691  201.5001  239.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2505  201.4353  240.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4450  202.9336  239.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2130  198.0187  239.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5120  196.5077  239.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9832  196.1414  239.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7391  195.9202  240.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8367  197.9425  237.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8243  196.4123  236.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9129  195.6443  237.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3733  196.1176  235.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-3.09893310,-66.79689267,61.32776508,60.23000266,-61.07620848,63.32870411
178.62084230,59.34811278,204.57839712,198.44320589,240.13907238,1.24297950
1.48454751,1.37605460

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443922/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2914

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.638095

>  <SCORE.INTRA>
-3.10864

>  <SCORE.INTRA.DIHEDRAL>
-3.40756

>  <SCORE.INTRA.DIHEDRAL.0>
3.53311

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.40485

>  <SCORE.INTRA.VDW.0>
-3.37452

>  <SCORE.INTRA.norm>
-0.14803

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.490065

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001805

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  203.0163  195.5795  246.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6071  194.2436  245.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0454  193.2193  246.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5408  193.3782  246.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1158  194.5928  247.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6812  195.9352  247.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1873  196.0549  247.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6555  194.6832  247.8770 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9097  194.0656  248.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4104  193.4433  249.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3940  194.2239  248.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8160  193.2307  247.8617 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1096  193.3690  246.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8762  194.2107  246.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4047  192.3577  245.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5872  191.4531  246.3058 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9685  190.5443  245.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1212  189.5999  246.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4509  188.6442  245.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6281  188.6200  243.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4732  189.5471  243.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1421  190.5084  244.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9892  191.4511  243.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6293  192.3904  244.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1596  194.9554  247.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
90.15350116,86.35931773,-71.32449464,4.68746999,-0.01042283,197.26317609
192.80701719,246.42377039,-0.49492407,-0.38316993,-2.05424679

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443923/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.55489

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-0.845107

>  <SCORE.INTRA.DIHEDRAL>
-0.879712

>  <SCORE.INTRA.DIHEDRAL.0>
3.68731

>  <SCORE.INTRA.POLAR>
-0.208633

>  <SCORE.INTRA.POLAR.0>
-0.460314

>  <SCORE.INTRA.REPUL>
-3.92562e-05

>  <SCORE.INTRA.REPUL.0>
0.00649054

>  <SCORE.INTRA.VDW>
0.304296

>  <SCORE.INTRA.VDW.0>
-0.61

>  <SCORE.INTRA.norm>
-0.0352128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.398121

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000682

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  202.9278  197.1144  252.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5071  198.4352  251.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9809  198.5599  250.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1789  198.1462  249.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6318  198.2645  247.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8845  198.8330  247.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6619  199.2780  248.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2287  199.1247  250.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3485  199.0171  246.1932 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7363  197.7086  245.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7446  196.9185  244.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0796  195.7478  244.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3944  195.3174  244.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3887  196.0475  244.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0564  197.2191  245.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1196  195.0387  243.5988 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.4403  199.8985  245.4307 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6441  201.3346  245.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5531  201.6796  247.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5393  202.1217  247.7231 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3276  201.3685  247.7077 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9936  201.6257  249.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8009  201.1069  249.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4953  201.2559  250.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3704  201.9436  251.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5267  202.5132  251.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8277  202.3636  249.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1182  202.0202  253.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8191  200.9577  254.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3634  200.1240  254.6013 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4767  199.6263  245.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7154  200.7545  247.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
M  END
>  <CHROM.1>
91.63831648,-72.58294106,84.50715299,80.30447307,-55.32278789,116.04865215
-171.44858750,93.79532213,203.21769498,199.33026290,248.43525053,-3.06748939
1.27343478,-0.60484363

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443924/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.26266

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-5.13734

>  <SCORE.INTRA.DIHEDRAL>
-0.40161

>  <SCORE.INTRA.DIHEDRAL.0>
5.4962

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.93653

>  <SCORE.INTRA.VDW.0>
-2.39031

>  <SCORE.INTRA.norm>
-0.171245

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.275422

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001453

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  198.8228  203.7600  252.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7820  203.1597  251.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7379  203.6299  250.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8088  203.1473  248.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8858  202.1846  248.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9800  201.6670  249.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8878  202.1591  250.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8215  201.5521  251.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9871  201.5690  247.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8521  203.7040  247.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8958  201.1538  246.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6861  202.1642  246.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
53.16722886,198.86338666,202.64598690,249.75162991,-2.15054733,-0.70244691
-1.98024929

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443925/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64653

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.753473

>  <SCORE.INTRA.DIHEDRAL>
-0.17067

>  <SCORE.INTRA.DIHEDRAL.0>
0.610107

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.668138

>  <SCORE.INTRA.VDW.0>
0.280593

>  <SCORE.INTRA.norm>
-0.0753473

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.564653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  206.0166  199.0757  246.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1257  198.3190  246.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4860  197.1932  246.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9365  196.7952  246.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3432  195.6467  246.5744 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7299  197.8853  246.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9335  198.9508  245.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6405  197.5438  246.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <CHROM.1>
-156.06754088,-136.93518125,-179.25327578,208.15416423,197.50462682,246.52884976
2.49637678,0.07181354,-0.14867844

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443926/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29988

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-1.10012

>  <SCORE.INTRA.DIHEDRAL>
0.696752

>  <SCORE.INTRA.DIHEDRAL.0>
1.38527

>  <SCORE.INTRA.POLAR>
0.248823

>  <SCORE.INTRA.POLAR.0>
-0.449807

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.29449

>  <SCORE.INTRA.VDW.0>
2.07717

>  <SCORE.INTRA.norm>
-0.183353

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.04998

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.132231

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  220.6585  187.0198  248.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6039  186.3308  249.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2163  185.7342  250.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1706  185.0030  251.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8227  184.4084  252.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8154  183.6989  253.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4751  183.1303  254.7617 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.4779  182.5694  255.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4701  182.1271  254.4712 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7262  182.5855  254.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0715  183.7634  254.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5906  181.4595  253.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8433  180.6568  252.8112 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3282  181.2668  251.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9614  181.0563  251.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3449  181.6243  250.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0935  182.4088  249.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4480  182.6311  249.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0670  182.0648  250.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3447  183.1005  248.0823 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.9972  180.0829  252.5078 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-178.32094599,179.38795010,178.27092270,-178.75995875,172.59406806,86.01097457
1.53093978,40.48099743,59.48706084,-129.69520596,220.20768647,182.83961618
251.72670145,-2.92685051,1.49707401,-2.82824016

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443927/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.22262

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.733333

>  <SCORE.INTRA>
-13.1774

>  <SCORE.INTRA.DIHEDRAL>
-9.60439

>  <SCORE.INTRA.DIHEDRAL.0>
17.4683

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.37519

>  <SCORE.INTRA.VDW.0>
2.98086

>  <SCORE.INTRA.norm>
-0.627494

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.105839

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000086

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  201.1693  216.3006  241.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6080  215.5272  242.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6091  214.6041  242.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1572  214.4135  241.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7641  215.1925  240.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7472  216.1342  240.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3961  215.0005  238.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4507  214.0449  238.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8483  213.2735  239.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1799  213.4518  240.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4952  212.7089  241.8322 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6018  211.7090  241.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3731  211.1746  240.5062 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9906  211.3446  242.7390 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0320  210.2825  242.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3768  209.9112  243.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3380  209.4866  244.7765 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.6993  212.8820  242.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
-175.81574559,-179.45446719,-179.99378366,-60.68566287,197.85368096,213.02536813
241.57921173,-0.45917165,0.78062365,1.70872921

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443928/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.02183

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-2.37817

>  <SCORE.INTRA.DIHEDRAL>
-5.71865

>  <SCORE.INTRA.DIHEDRAL.0>
5.80025

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.481154

>  <SCORE.INTRA.VDW.0>
0.717188

>  <SCORE.INTRA.norm>
-0.139892

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.413049

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015185

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  211.1936  201.0413  247.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4123  199.9775  246.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3698  199.1032  246.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1033  199.2994  247.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8881  200.3501  248.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9362  201.2247  248.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5552  200.5501  248.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3949  201.3726  249.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4163  199.7513  248.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6268  198.7110  247.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9923  198.4073  246.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1859  197.4295  246.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5309  197.9792  246.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2382  198.2922  247.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0305  199.3323  248.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1174  200.0581  248.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6507  196.9436  245.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6087  196.7967  245.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
3.45268790,207.60526055,199.36041236,247.55916910,0.31061947,0.17924969,0.69331373

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443929/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39844

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.317647

>  <SCORE.INTRA>
-0.0015564

>  <SCORE.INTRA.DIHEDRAL>
0.00513759

>  <SCORE.INTRA.DIHEDRAL.0>
0.00975763

>  <SCORE.INTRA.POLAR>
-0.000597106

>  <SCORE.INTRA.POLAR.0>
-0.0271294

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00209503

>  <SCORE.INTRA.VDW.0>
0.284875

>  <SCORE.INTRA.norm>
-9.15529e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.317556

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013831

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  219.8054  186.7442  242.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5619  185.4747  242.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1001  184.9297  243.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8306  183.6492  244.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3166  183.8233  244.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2080  183.4137  243.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5830  183.5880  243.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1049  184.1741  244.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2202  184.5504  245.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8364  184.3834  245.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4897  184.4024  245.0378 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.4791  184.1394  244.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3144  183.6584  242.9827 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.8975  184.4416  244.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1641  185.8586  244.3910 N   0  0  0  0  0  0  0  0  0  0  0  0
  230.0072  186.2880  243.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2605  187.5241  243.0709 N   0  0  0  0  0  0  0  0  0  0  0  0
  229.6458  188.4233  243.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8517  188.1247  244.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5535  186.7533  245.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8289  186.4142  246.1981 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.5258  189.3455  245.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.0446  190.3786  244.8755 N   0  0  0  0  0  0  0  0  0  0  0  0
  229.7026  189.8182  243.8069 N   0  0  0  0  0  0  0  0  0  0  0  0
  230.2946  190.6572  242.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.9504  190.0790  241.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.5416  190.8850  240.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.4921  192.2791  240.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.8524  192.8547  241.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2533  192.0531  242.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.1115  193.1594  239.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7590  184.8589  245.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-179.86566292,62.82200297,-101.00345816,2.98605242,-82.57142656,-106.77710427
-0.76359988,227.14160828,187.13861522,243.67320579,2.47221714,0.17073426
2.65335979

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443938/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4836

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.91642

>  <SCORE.INTRA.DIHEDRAL>
-0.74365

>  <SCORE.INTRA.DIHEDRAL.0>
5.30158

>  <SCORE.INTRA.POLAR>
-0.450796

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.011885

>  <SCORE.INTRA.VDW.0>
-2.07685

>  <SCORE.INTRA.norm>
-0.0618199

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.33818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000238

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  189.2832  205.7295  253.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1553  204.6432  254.3314 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0016  204.6469  255.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4583  203.3965  255.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3386  203.2776  256.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7655  204.4168  257.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3068  205.6841  257.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4211  205.7815  256.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7792  206.9302  257.9191 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.6493  207.8468  257.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0906  208.5376  255.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8884  209.3599  255.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2490  209.5009  255.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8169  208.8230  256.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0228  208.0033  257.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1870  210.1997  253.8587 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.6461  207.6458  258.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1631  207.0633  259.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-143.64548248,112.62054962,68.13718023,59.62478102,191.68314722,207.02036409
255.93383953,2.38368677,0.84280291,2.35244475

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443939/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.06838

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-4.33162

>  <SCORE.INTRA.DIHEDRAL>
-5.27231

>  <SCORE.INTRA.DIHEDRAL.0>
8.54066

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.69547

>  <SCORE.INTRA.VDW.0>
1.39859

>  <SCORE.INTRA.norm>
-0.254801

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.239316

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000268

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  213.7874  197.2098  247.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4975  196.7170  248.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3799  196.2186  247.3189 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.3141  195.3458  248.1416 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.8442  194.5354  249.3798 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.5981  195.3538  250.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6968  195.1863  251.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8385  196.3730  252.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6159  197.5758  252.2494 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.9452  198.9768  252.3151 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.9734  198.5888  253.2133 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2104  199.8221  251.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9797  201.3421  251.0711 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3736  201.6605  249.6652 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4593  201.4703  248.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2845  201.7770  248.7620 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0376  200.7113  247.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9707  200.0250  246.5472 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3077  198.6399  245.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6044  197.3774  246.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3699  197.2387  246.5487 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6367  198.6858  244.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7032  197.6564  243.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6145  198.4023  244.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7042  199.8540  247.1734 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5868  201.8018  251.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2017  202.9349  252.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9889  204.0091  252.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4704  205.1086  253.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7479  206.1321  253.7579 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.8804  205.0258  253.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3690  203.9522  252.4970 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3381  205.2722  253.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5707  200.9526  251.1432 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.8123  197.3092  251.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2827  193.1085  249.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6248  194.4571  247.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3032  200.6976  247.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.1494  194.9660  246.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  6  0  0  0
  5  6  1  0  0  0  0
  5 36  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  1  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 38  1  0  0  0  0
 26 27  2  0  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
>  <CHROM.1>
162.72160477,-60.97650636,147.47351769,59.89418905,-177.62732626,211.46102764
199.55249806,249.77533998,2.22220167,1.42028506,3.07671070

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443940/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.58247

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.227027

>  <SCORE.INTRA>
-4.81753

>  <SCORE.INTRA.DIHEDRAL>
-7.38648

>  <SCORE.INTRA.DIHEDRAL.0>
10.436

>  <SCORE.INTRA.POLAR>
-0.0758296

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.866476

>  <SCORE.INTRA.VDW.0>
-1.36518

>  <SCORE.INTRA.norm>
-0.130204

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.0968234

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011433

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  187.0652  213.4494  255.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8653  212.1318  256.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8136  212.3206  257.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7814  212.5808  258.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7485  213.0276  260.0762 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.7654  212.1871  260.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2285  212.2133  260.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9211  213.5637  260.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0280  211.1443  261.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1098  214.4133  260.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2423  215.2623  259.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1976  214.9598  258.9386 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8186  216.6285  259.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0620  216.8160  260.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6288  218.0862  260.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9706  219.1774  259.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7574  218.9951  259.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1784  217.7229  258.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6521  217.6174  258.1307 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
2.25439562,-132.09248836,57.09592430,65.75532256,68.17379263,0.02185137,-1.38415886
187.11903605,215.00944764,259.11522888,1.02456356,0.84017131,-2.82187845

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443941/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.60851

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-5.79149

>  <SCORE.INTRA.DIHEDRAL>
-14.1246

>  <SCORE.INTRA.DIHEDRAL.0>
14.7103

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.2708

>  <SCORE.INTRA.VDW.0>
-1.68655

>  <SCORE.INTRA.norm>
-0.304815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.347816

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005982

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  188.1386  215.3801  250.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0928  216.4431  250.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8538  216.7186  252.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4614  217.1181  252.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5280  216.0615  252.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6979  215.7549  250.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2662  217.4393  254.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6395  218.9020  254.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7089  219.9028  253.6650 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.1466  221.3128  254.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5097  222.4825  254.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8015  219.7258  252.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5732  219.4514  251.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5052  219.1917  250.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6608  219.1887  249.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9060  219.4842  249.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0303  219.4742  249.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3012  219.7821  249.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4434  220.1337  250.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3289  220.1519  251.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0110  219.7914  251.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  3  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
85.51185519,65.17467252,179.98790835,122.90244059,187.74532900,218.69212750
251.69409970,1.44119947,-1.06671713,-2.74301133

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443942/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.29628

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-4.10372

>  <SCORE.INTRA.DIHEDRAL>
1.03372

>  <SCORE.INTRA.DIHEDRAL.0>
0.805896

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.62059

>  <SCORE.INTRA.VDW.0>
-0.4935

>  <SCORE.INTRA.norm>
-0.195415

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.252204

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022930

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  212.9736  182.2201  242.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8281  183.0474  243.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1840  182.9600  245.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2556  182.4455  243.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1652  183.3010  244.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9508  184.5210  243.2141 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.7231  184.6957  241.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2162  184.4811  240.8035 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9933  185.1286  242.0378 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6416  185.0825  243.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2941  184.0921  243.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4802  185.2506  241.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7711  186.0148  242.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  6  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
168.83596424,-65.55558518,-68.29295157,79.08256802,178.47094634,-179.24225669
214.32212468,183.82971764,243.04989286,1.80971458,0.05328343,2.22747596

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443943/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.43569

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-6.96431

>  <SCORE.INTRA.DIHEDRAL>
-4.86289

>  <SCORE.INTRA.DIHEDRAL.0>
7.97138

>  <SCORE.INTRA.POLAR>
-0.999214

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13554

>  <SCORE.INTRA.VDW.0>
1.26683

>  <SCORE.INTRA.norm>
-0.696431

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.143569

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003924

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  213.0319  176.0096  247.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8198  174.5054  247.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0187  173.7935  247.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6236  173.9298  248.1705 Si  0  0  0  0  0  0  0  0  0  0  0  0
  216.3699  175.8276  248.1298 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.4311  173.4055  250.1321 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.0550  172.7153  247.3725 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <CHROM.1>
63.00635512,-68.75780577,215.45221608,174.17239662,248.28270043,-2.65686425
-0.33695228,2.58671401

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443944/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.37989

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.0201118

>  <SCORE.INTRA.DIHEDRAL>
0.213596

>  <SCORE.INTRA.DIHEDRAL.0>
8.8279e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.12691

>  <SCORE.INTRA.VDW.0>
-0.572019

>  <SCORE.INTRA.norm>
-0.00287311

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.05427

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014894

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 43  0  0  0  0  0  0  0  0999 V2000
  189.9692  219.2974  254.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2171  220.5633  254.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0636  221.4844  255.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2808  222.6192  255.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7035  222.9450  253.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8865  222.0249  252.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6257  220.8402  253.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8863  224.2465  253.8683 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.2404  224.6655  255.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6176  225.7174  255.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2697  223.8706  255.8388 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2747  222.9007  255.2383 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.9140  221.5763  254.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6523  220.8633  255.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2361  219.6314  255.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0388  219.0818  254.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3222  219.8087  253.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7942  221.0636  253.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4700  217.6750  253.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9958  222.5914  256.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8456  222.7226  255.6623 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.2071  222.1457  257.3871 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.0767  221.8764  258.1749 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.5391  222.8708  258.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5207  222.7422  259.6154 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.2588  224.0143  258.8033 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.7543  225.1079  259.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9793  224.2543  257.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8589  223.9862  258.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4457  224.8184  258.8996 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9621  222.6403  258.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8688  222.1952  259.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7766  225.3162  253.2395 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.9431  225.6233  253.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7183  226.7104  253.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3172  227.4819  252.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1622  227.1273  251.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3958  226.0476  252.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1096  221.9759  257.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.8864  220.9087  258.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.0094  224.3583  257.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  1  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 41  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  CHG  1  33   1
M  END
>  <CHROM.1>
-28.00452297,114.83465578,-59.08094418,77.14540278,-74.25838110,53.56219893
125.87081563,-89.97870843,176.94181021,179.60679953,115.77482031,178.59525018
185.88919199,222.93776024,255.63490526,-0.03393024,-0.70772112,-3.05048420

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443945/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.43369

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457895

>  <SCORE.INTRA>
-11.9663

>  <SCORE.INTRA.DIHEDRAL>
-0.0850808

>  <SCORE.INTRA.DIHEDRAL.0>
7.98491

>  <SCORE.INTRA.POLAR>
-1.82334

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00553034

>  <SCORE.INTRA.REPUL.0>
0.00553034

>  <SCORE.INTRA.VDW>
-5.69675

>  <SCORE.INTRA.VDW.0>
-3.06105

>  <SCORE.INTRA.norm>
-0.314903

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.142992

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  202.3109  211.0776  255.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8824  211.7214  256.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5613  211.1278  256.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0740  211.7477  258.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7684  213.2244  258.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5481  213.7081  257.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2906  215.1010  257.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2302  216.0119  257.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4712  215.5092  258.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7234  214.1397  258.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9155  217.3974  258.0280 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6602  218.4453  258.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0326  218.3196  259.5517 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.1328  219.6948  258.2489 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9617  220.8996  258.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9032  221.0459  257.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7854  219.8498  256.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0733  219.7979  257.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8919  218.6941  257.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4286  217.6199  256.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1508  217.6714  255.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3339  218.7825  255.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3225  216.5984  256.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8103  215.2924  256.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9904  217.6341  257.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.1686  219.7598  257.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.69130020,62.90005063,82.04646147,173.40450669,74.16012158,-51.49377346
-93.73166900,132.85514718,201.07297265,216.46652316,257.41274951,-1.62101755
0.46831849,0.12526857

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443954/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.80032

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-3.59968

>  <SCORE.INTRA.DIHEDRAL>
0.116897

>  <SCORE.INTRA.DIHEDRAL.0>
7.09625

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.65813

>  <SCORE.INTRA.VDW.0>
0.159115

>  <SCORE.INTRA.norm>
-0.149987

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.408347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000211

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  198.2132  198.8220  253.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4986  197.6408  253.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0685  196.9792  252.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3289  197.4854  250.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0661  198.6925  250.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4904  199.3400  251.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4051  199.4440  249.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5748  200.5649  249.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1144  200.1830  248.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2866  201.4800  249.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2592  201.3589  250.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6165  201.0414  251.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2195  201.9578  252.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5440  201.5973  253.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2615  200.3161  253.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6878  199.3850  253.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3885  199.7251  251.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8411  198.6518  250.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6672  198.7695  249.6681 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5021  197.3810  251.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8050  197.2031  252.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4439  198.1510  253.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4415  195.8677  253.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7370  195.0637  252.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8771  195.7400  254.7200 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.9817  199.6288  247.6570 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7034  196.7052  249.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5782  197.0825  248.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1020  195.4108  249.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9240  195.0646  251.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3516  195.8344  252.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1329  193.7715  251.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0600  193.4821  252.8056 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6252  193.1615  250.5985 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.3935  198.7441  247.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 31  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 35  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  CHG  2  25  -1  34  -1
M  END
>  <CHROM.1>
98.02342959,-61.85265094,166.95436215,-121.77692114,71.47268219,55.79943309
74.61895236,-7.25984309,176.97103329,195.55734957,197.98809740,251.37080072
1.12968347,1.00791094,0.02904083

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443955/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.80799

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394118

>  <SCORE.INTRA>
-9.59201

>  <SCORE.INTRA.DIHEDRAL>
8.2385

>  <SCORE.INTRA.DIHEDRAL.0>
7.81051

>  <SCORE.INTRA.POLAR>
-0.990497

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.3436

>  <SCORE.INTRA.VDW.0>
0.996277

>  <SCORE.INTRA.norm>
-0.282118

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.112

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000485

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  198.0388  208.6503  251.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8226  208.8390  250.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2813  210.0820  249.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3445  208.9568  250.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9936  207.7058  251.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3546  207.6468  252.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8736  206.4700  253.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0488  205.3165  252.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7616  205.4001  250.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2388  206.5811  250.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4582  204.0256  252.9794 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.2529  203.1101  253.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5230  203.3346  252.2762 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4966  202.6342  252.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6139  202.6656  254.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4817  201.8814  252.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9929  200.6003  251.6820 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9872  200.6502  250.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4649  201.6604  250.3382 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6201  199.2783  250.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6073  199.1448  249.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2265  197.8796  248.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8534  196.7280  249.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8687  196.8677  250.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2531  198.1330  250.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4175  195.3642  248.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2084  194.9776  247.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8372  193.6920  247.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4490  203.1978  251.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
65.03311595,-104.60830163,99.21711653,145.04761275,-84.34495806,71.98249451
-3.17912787,-179.10094927,91.77724544,179.73757586,202.39309746,202.39971265
250.93533216,1.93487433,-0.73662399,0.43297754

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443956/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.0854

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-2.31458

>  <SCORE.INTRA.DIHEDRAL>
-0.464104

>  <SCORE.INTRA.DIHEDRAL.0>
5.86044

>  <SCORE.INTRA.POLAR>
-0.544185

>  <SCORE.INTRA.POLAR.0>
-0.0140057

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.232297

>  <SCORE.INTRA.VDW.0>
-1.23719

>  <SCORE.INTRA.norm>
-0.0826635

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.467337

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007624

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  203.0093  203.7545  249.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2850  204.9432  249.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0382  205.6373  247.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5197  205.1576  246.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2258  203.9488  246.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4741  203.2549  247.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1344  206.1049  245.1796 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.5701  205.4424  244.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5652  204.6610  243.5562 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3762  204.1736  243.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2107  204.4129  243.8006 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2521  205.2074  244.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4273  205.7728  245.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9697  205.4291  245.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3159  203.8554  246.3075 S   0  0  1  0  0  0  0  0  0  0  0  0
  195.8728  203.0216  245.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8980  203.1467  246.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5922  202.2604  246.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8252  201.7400  246.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3691  202.0937  247.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6707  202.9533  248.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4335  203.4713  248.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3418  203.3420  241.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1539  202.7983  241.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0434  202.0235  240.3482 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1834  201.7679  239.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4204  202.2516  240.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4945  203.0438  241.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  6  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-88.45760841,-106.91202819,-179.60290443,61.46803231,-68.16438190,-95.96177724
199.71424752,203.87623036,245.15348748,-1.09107549,-0.19869355,-1.70055597

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443957/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.70608

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-3.69392

>  <SCORE.INTRA.DIHEDRAL>
0.180447

>  <SCORE.INTRA.DIHEDRAL.0>
5.61496

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.78414

>  <SCORE.INTRA.VDW.0>
-2.22972

>  <SCORE.INTRA.norm>
-0.131926

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.275217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008115

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 89 95  0  0  0  0  0  0  0  0999 V2000
  220.0748  170.6175  252.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
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  220.9517  173.4071  257.7516 C   0  0  1  0  0  0  0  0  0  0  0  0
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 75 89  1  0  0  0  0
M  END
>  <CHROM.1>
-74.02901903,-53.36598816,-167.19666697,84.64895573,-173.76053427,157.58309310
173.22384304,150.58790947,39.12302265,63.69257088,64.08292584,91.13047557
-72.22315841,171.90659962,171.83900262,50.01369157,178.65604162,-168.06649749
88.65105502,-65.63523221,80.26013226,59.52026392,-171.91957210,154.08792708
-56.25650024,-152.07334691,-58.46069575,-92.85507206,-12.54075610,102.48318909
80.55803024,63.53630802,-59.35779543,63.37144250,175.47613993,218.04984015
176.34207292,251.67969153,0.39483015,0.78961003,2.66466615

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443958/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.74719

>  <SCORE.INTER>
31.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
26

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413158

>  <SCORE.INTRA>
-38.1472

>  <SCORE.INTRA.DIHEDRAL>
-17.3944

>  <SCORE.INTRA.DIHEDRAL.0>
44.3132

>  <SCORE.INTRA.POLAR>
-2.54665

>  <SCORE.INTRA.POLAR.0>
-1.57301

>  <SCORE.INTRA.REPUL>
0.0174671

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-20.8787

>  <SCORE.INTRA.VDW.0>
3.33961

>  <SCORE.INTRA.norm>
-0.501937

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
76

>  <SCORE.norm>
-0.0887789

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.474500

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
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  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  1  0  0  0
 12 13  1  0  0  0  0
 12 25  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  6  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
 27 34  1  0  0  0  0
M  END
>  <CHROM.1>
96.22946959,-79.17910133,31.42392407,-54.18413958,-58.12893796,-77.59337173
113.33528627,-27.03810923,-44.95472423,-162.55208623,61.10363933,-171.14019940
204.31369504,203.40407310,244.36442061,0.81319640,-0.29775331,1.82345207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443959/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.80926

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-14.2093

>  <SCORE.INTRA.DIHEDRAL>
0.587692

>  <SCORE.INTRA.DIHEDRAL.0>
11.1837

>  <SCORE.INTRA.POLAR>
-2.70285

>  <SCORE.INTRA.POLAR.0>
-0.0491936

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.31342

>  <SCORE.INTRA.VDW.0>
-1.46345

>  <SCORE.INTRA.norm>
-0.526269

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
-0.0670095

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011184

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  188.1858  208.9369  256.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9057  209.2715  255.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8419  210.6713  254.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6288  210.9770  253.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5774  212.4699  253.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3503  212.8293  251.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2773  214.3268  251.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0036  214.6094  250.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9682  215.9915  250.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.90036597,179.89288056,-179.82580722,179.78573054,-179.62346912,179.68296080
189.75230225,212.22638854,252.97842413,2.10250861,-0.97186565,2.88315220

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443960/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.199

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
-0.201039

>  <SCORE.INTRA.DIHEDRAL>
-0.0124992

>  <SCORE.INTRA.DIHEDRAL.0>
0.0139439

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.19479

>  <SCORE.INTRA.VDW.0>
-0.559496

>  <SCORE.INTRA.norm>
-0.0223377

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.24433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.067938

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  209.3307  207.8777  242.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4992  207.3570  240.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6457  205.8253  241.4246 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.7734  205.4922  239.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9518  204.2096  239.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7865  203.0861  240.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1888  202.3166  240.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
179.98718330,179.56188790,-61.26179730,179.74587335,207.51473929,205.61473399
240.86396081,-0.69648520,0.84070920,2.81813836

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443961/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.79523

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.4

>  <SCORE.INTRA>
-0.604766

>  <SCORE.INTRA.DIHEDRAL>
-0.144593

>  <SCORE.INTRA.DIHEDRAL.0>
0.151249

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.532469

>  <SCORE.INTRA.VDW.0>
0.039969

>  <SCORE.INTRA.norm>
-0.100794

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.29921

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.065131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  218.1496  189.9686  242.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7745  188.7504  241.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8108  187.7149  241.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5456  186.4322  241.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3829  185.9411  242.3938 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7203  186.2321  242.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5902  185.4454  242.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9724  187.5231  242.7542 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3859  187.7738  244.1357 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.2280  187.6578  245.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7343  189.0750  245.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6445  189.3309  245.7644 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7331  189.9474  244.8291 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8872  189.2051  244.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7456  191.3645  244.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6556  192.0448  245.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6435  193.4415  245.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7199  194.1833  245.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8132  193.5378  244.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8271  192.1397  244.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6947  195.8988  245.2903 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.9625  186.0124  243.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3653  188.1996  242.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 23  1  0  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-178.71458371,64.12784333,-98.38533324,-101.61779805,97.81144681,-74.94048863
-3.24495010,220.17147824,190.02404243,243.94350520,1.69040390,0.52498049
-2.85042329

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443970/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95692

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.590476

>  <SCORE.INTRA>
-6.44308

>  <SCORE.INTRA.DIHEDRAL>
0.229645

>  <SCORE.INTRA.DIHEDRAL.0>
2.26841

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.15791

>  <SCORE.INTRA.VDW.0>
0.353536

>  <SCORE.INTRA.norm>
-0.306813

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.283663

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004430

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
107108  0  0  0  0  0  0  0  0999 V2000
  207.7901  189.3454  245.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1839  188.7337  244.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0383  187.2212  243.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5136  186.6815  242.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9274  187.3132  241.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4436  186.5924  240.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8965  186.9065  239.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3698  186.1543  238.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8526  186.3797  238.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3814  185.6032  237.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8998  185.7663  237.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6281  185.1084  238.3729 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.7214  183.5710  238.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1504  182.9042  239.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6173  181.9465  240.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2420  183.4885  240.2389 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9230  182.9927  241.5179 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.4140  183.4098  241.5552 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.4882  184.9593  241.5055 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.6363  185.5999  242.6381 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2917  185.0803  242.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1573  183.6683  242.7335 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.2712  183.3937  244.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8375  181.8351  244.4337 P   0  0  0  0  0  0  0  0  0  0  0  0
  216.8494  180.7646  244.3678 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1733  181.9773  245.8789 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4670  181.4551  243.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4618  185.5267  243.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3260  184.4009  244.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8683  184.4568  245.5176 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.8479  183.9228  246.5816 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.5367  182.4449  246.3371 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.9249  181.7044  246.0758 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.9421  182.4063  245.1621 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.1329  183.7583  245.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2303  181.6752  244.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1063  181.1708  245.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5242  181.6296  247.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3155  180.0257  247.9467 P   0  0  0  0  0  0  0  0  0  0  0  0
  221.3615  179.4515  246.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0491  180.4602  249.3261 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1069  178.4217  248.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7644  181.8982  247.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2412  180.6148  247.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4424  179.7587  246.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4682  180.3999  248.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1852  181.2330  249.3453 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7829  181.1854  248.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9221  182.5070  248.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6677  182.9546  247.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0209  184.3660  247.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8838  184.7857  247.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0415  184.5435  245.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2582  185.3319  245.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5060  185.1663  243.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6881  186.0324  243.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9707  185.9509  241.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0974  186.9038  241.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9021  180.8366  250.7109 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5880  184.6763  246.5830 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9618  185.0735  247.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4086  185.9379  248.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6718  184.3258  248.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
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  214.8748  184.9661  245.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8364  185.4388  241.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2036  182.8659  240.4593 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5579  182.8363  240.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1467  183.2803  241.6004 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2556  182.2299  239.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7758  182.1959  239.5789 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.2775  181.4666  240.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7905  181.6499  241.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3185  181.3578  242.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0467  179.8827  242.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3324  179.4950  244.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2607  177.9727  244.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4965  177.5959  245.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3794  178.0849  246.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7237  177.7401  248.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6130  178.1516  249.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9755  177.7717  250.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3333  181.5650  238.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9278  185.6964  238.4627 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5612  184.3826  239.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.7627  181.1401  246.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0632  180.6142  243.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.5727  180.5646  246.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
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  216.9843  184.5249  245.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
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  220.2961  185.0826  242.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.2970  181.7004  238.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.3550  185.5639  237.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  6  7  1  0  0  0  0
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 12 11  1  6  0  0  0
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 34 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 99  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
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 41100  1  0  0  0  0
 42101  1  0  0  0  0
 43 44  1  0  0  0  0
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 44 46  1  0  0  0  0
 47 46  1  6  0  0  0
 47 48  1  0  0  0  0
 47 59  1  0  0  0  0
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 60103  1  0  0  0  0
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 76104  1  0  0  0  0
 77105  1  0  0  0  0
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M  END
>  <CHROM.1>
-177.37668909,-56.23309569,-176.28674673,-71.92777981,179.57573137,-175.07688090
178.08018762,-175.82872651,66.35436105,76.16405432,-166.31307798,-56.48147206
135.08218611,152.74429884,-160.73943044,-55.06149043,-33.69456176,-61.51505893
88.47325369,172.96403165,-167.71022600,-173.13083354,80.12762809,-136.32076896
175.76719520,101.78797151,-58.06471908,57.18135742,73.89345970,-26.08796509
56.03039008,5.72562902,61.82668851,65.68183012,-156.15115294,-62.28882819
164.06771127,-167.74290328,175.08321534,-49.54077331,-60.96114807,-179.73082893
177.18998518,-178.29021197,176.33807488,69.56021380,-82.09300485,-67.90464481
-61.65774420,58.89310755,-160.43681584,61.27122191,-45.92917737,-56.34660609
171.38413624,-172.91011522,-177.17241662,68.19172214,-179.27044953,-2.86102754
179.51918424,55.85856947,-172.17720417,168.73267374,161.80246800,62.60271049
-171.50227058,-170.54849255,-177.91145597,66.24400889,-176.83237515,-177.52431896
178.95223211,216.56858340,183.63893770,244.40071851,2.86890657,0.48496624
-1.33101148

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443971/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
23.5686

>  <SCORE.INTER>
68.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
63

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.72

>  <SCORE.INTRA>
-44.8314

>  <SCORE.INTRA.DIHEDRAL>
-8.49828

>  <SCORE.INTRA.DIHEDRAL.0>
46.1127

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
-0.00016081

>  <SCORE.INTRA.REPUL>
-0.174906

>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
-23.6716

>  <SCORE.INTRA.VDW.0>
-7.99433

>  <SCORE.INTRA.norm>
-0.471909

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
95

>  <SCORE.norm>
0.248091

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.474111

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  214.1954  180.5372  238.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2970  180.0184  239.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9759  180.0147  240.9032 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9175  179.6078  241.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5869  179.6776  243.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5296  179.3507  244.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8047  178.9352  243.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1339  178.8394  242.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1839  179.1837  241.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
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  218.5963  178.7238  239.6896 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
82.44158501,-44.45654926,154.28174278,-168.76127807,216.81533751,181.36995814
239.34482014,-1.77159309,1.32762922,-0.55925840

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443973/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.9719

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-0.428105

>  <SCORE.INTRA.DIHEDRAL>
-0.259894

>  <SCORE.INTRA.DIHEDRAL.0>
2.64658

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.298158

>  <SCORE.INTRA.VDW.0>
-0.793563

>  <SCORE.INTRA.norm>
-0.0203859

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.427233

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000915

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  197.1640  206.4874  258.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0105  207.4338  259.4601 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0022  208.5782  258.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1377  208.3552  257.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2495  207.0020  257.2806 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1330  209.3894  256.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2904  209.1673  255.2254 O   0  0  0  0  0  0  0  0  0  0  0  0
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  196.8622  209.8185  259.1975 N   0  0  0  0  0  0  0  0  0  0  0  0
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  196.5918  210.0030  260.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3602  212.3490  259.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6976  212.1309  259.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-112.67854883,197.00786716,209.10196322,257.83096406,0.77715718,-1.42696897
2.36776897

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443974/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.32313

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0768666

>  <SCORE.INTRA.DIHEDRAL>
-0.000892133

>  <SCORE.INTRA.DIHEDRAL.0>
0.480731

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0764206

>  <SCORE.INTRA.VDW.0>
-0.175517

>  <SCORE.INTRA.norm>
-0.00698787

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.57483

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000971

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  209.6030  190.3061  245.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9624  191.3103  246.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5513  192.7157  245.9084 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1206  193.0364  246.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5054  194.0968  245.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6721  193.8976  246.4827 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.3388  195.1734  245.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7522  193.7532  247.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2431  193.4059  245.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4284  193.6623  246.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6594  193.3613  245.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7084  192.7913  244.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5248  192.5227  243.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2859  192.8581  244.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6320  191.8827  242.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7216  191.6106  242.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4440  191.5752  241.9758 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4055  190.8704  240.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8764  189.4364  240.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1192  188.4829  241.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2214  189.3036  240.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5550  191.6838  242.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.7088  190.1496  240.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
83.04994480,-149.73809525,167.15198964,-148.44291458,-0.64843246,68.72369978
98.00215540,4.82922121,211.77325680,192.26334099,244.41988917,2.10644982
0.18051973,0.86216780

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443975/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.74491

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.590476

>  <SCORE.INTRA>
-4.65509

>  <SCORE.INTRA.DIHEDRAL>
-1.02463

>  <SCORE.INTRA.DIHEDRAL.0>
6.72176

>  <SCORE.INTRA.POLAR>
-0.440104

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.64643

>  <SCORE.INTRA.VDW.0>
0.959254

>  <SCORE.INTRA.norm>
-0.221671

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.368805

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 54  0  0  0  0  0  0  0  0999 V2000
  188.7763  227.4108  264.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5880  225.9210  264.3299 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.1083  225.6947  263.9684 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.9273  226.0939  262.5044 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8532  225.2341  261.6305 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.3995  225.2602  261.9712 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.5585  225.2455  263.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9010  224.0629  261.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2080  223.4441  260.8250 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.0613  222.1454  259.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0739  222.1906  258.1874 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7300  223.5275  257.3968 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6891  224.3925  256.1893 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4030  224.9771  256.8392 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4176  224.5310  258.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7083  225.2239  258.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0108  224.5125  258.5693 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3633  224.1332  260.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0307  225.4208  258.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1627  226.5059  256.9634 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.5742  227.1077  258.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1579  228.5114  258.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3250  228.7497  256.7140 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.3361  227.5997  256.5021 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.2164  226.9867  255.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0859  225.4744  255.0712 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.0308  225.4733  254.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5801  228.4062  257.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3308  230.0042  255.8489 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.3962  229.7062  254.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1102  230.1243  253.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6577  229.8727  252.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3897  230.8854  254.8465 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2999  231.1002  255.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0083  226.5836  256.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9750  223.0941  256.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9274  222.4172  257.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5511  220.9450  257.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3749  223.8682  261.7767 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5558  225.9078  262.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1913  226.4406  264.7866 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8785  224.9442  258.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.9841  224.5773  253.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.3537  226.3006  255.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4581  221.6267  257.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9053  220.2257  257.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.0078  223.3113  261.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.3627  224.9517  262.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.2840  226.1617  265.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 41  1  1  0  0  0
  4  5  1  0  0  0  0
  4 40  1  6  0  0  0
  5  6  1  0  0  0  0
  5 39  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  6  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  6  0  0  0
 13 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 42  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 43  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 44  1  0  0  0  0
 36 37  1  0  0  0  0
 37 45  1  0  0  0  0
 38 46  1  0  0  0  0
 39 47  1  0  0  0  0
 40 48  1  0  0  0  0
 41 49  1  0  0  0  0
M  END
>  <CHROM.1>
-61.82775329,-64.58129784,-175.31676182,175.80730097,179.09834156,61.57464474
-54.62613336,-72.29623445,-62.90505473,-174.62476963,-60.88083556,61.30338639
189.66049263,225.94342010,258.55554812,1.71885070,-0.87083098,2.10000654

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443976/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.71576

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.229268

>  <SCORE.INTRA>
-18.1158

>  <SCORE.INTRA.DIHEDRAL>
-24.4627

>  <SCORE.INTRA.DIHEDRAL.0>
27.534

>  <SCORE.INTRA.POLAR>
-0.627819

>  <SCORE.INTRA.POLAR.0>
-1.32477

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.74984

>  <SCORE.INTRA.VDW.0>
-0.172854

>  <SCORE.INTRA.norm>
-0.441848

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
-0.212579

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011830

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  194.6041  219.0310  242.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8433  218.3595  241.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0218  216.8431  241.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1271  216.5640  243.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1118  217.0131  244.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4596  217.9361  245.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0969  219.0995  245.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0452  219.1410  247.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3843  218.2343  247.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4644  217.2460  247.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9632  216.3415  248.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1313  217.5293  245.9339 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.3913  216.4490  245.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8244  216.0420  243.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1530  215.2063  243.1104 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8733  214.6767  243.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2106  215.9997  245.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0033  219.9043  247.8833 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2115  221.1551  247.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0488  219.7625  244.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5155  218.8342  243.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5467  217.4234  244.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8916  217.0212  244.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8300  217.5812  243.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5046  218.7811  242.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0447  219.0018  242.3965 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.4133  220.1986  241.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2601  220.3102  240.5418 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0117  221.3211  242.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2232  221.1492  243.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1259  222.0426  244.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3101  223.3586  243.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2680  219.8606  242.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0987  217.0332  243.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9449  217.5747  241.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8459  217.0091  245.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7880  218.2435  246.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2380  219.6266  245.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0996  216.4757  246.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7333  220.6625  242.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  1  0  0  0
 12  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 20 30  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
 25 33  1  0  0  0  0
 26 25  1  1  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 40  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
-59.93775754,-62.56389332,43.29255292,-2.69771800,-177.76870233,-41.27102926
-179.78516927,-162.80238253,179.03760566,-64.32936658,197.74483930,218.41181995
244.35325341,3.05329579,0.52660428,1.31030752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443977/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-10.9605

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-24.3605

>  <SCORE.INTRA.DIHEDRAL>
-50.0893

>  <SCORE.INTRA.DIHEDRAL.0>
65.3014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.684092

>  <SCORE.INTRA.VDW.0>
4.42725

>  <SCORE.INTRA.norm>
-0.641067

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
-0.288436

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.052677

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 43  0  0  0  0  0  0  0  0999 V2000
  211.1888  203.4701  250.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2805  204.7819  250.2562 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9701  205.0034  249.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2853  203.8071  248.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8091  202.8198  249.2967 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7752  201.3847  249.1292 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.4546  200.6082  249.2675 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.8164  199.3070  248.5574 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.6850  199.8085  247.3928 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2953  201.0496  247.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7675  198.8596  246.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8160  199.5564  246.2366 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2698  200.3109  244.7788 P   0  0  1  0  0  0  0  0  0  0  0  0
  213.6895  201.6405  245.4008 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5787  199.7286  244.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7237  201.0654  243.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3209  202.0208  243.6564 P   0  0  1  0  0  0  0  0  0  0  0  0
  212.1991  203.2691  243.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0046  202.1108  242.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9181  202.9760  243.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7401  203.7001  245.3861 P   0  0  0  0  0  0  0  0  0  0  0  0
  209.9520  202.8396  246.5857 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5672  205.0559  245.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2442  204.2666  245.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4782  198.4419  249.4743 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3269  201.2171  248.6202 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9429  203.7527  247.3297 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2824  204.9441  246.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0386  206.1311  247.2198 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3707  206.2656  248.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1452  207.3580  248.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9241  204.7984  245.5625 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2987  199.6080  244.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5787  202.9837  241.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.4517  204.9326  244.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.5951  203.5406  245.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.7207  197.5939  249.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5928  201.5132  247.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2468  202.8831  246.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7525  205.5283  244.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7526  203.8774  245.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 30  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  6  5  1  6  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  6  0  0  0
  8  9  1  0  0  0  0
  8 25  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  1  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  6  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 26 38  1  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 28 29  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 40  1  0  0  0  0
 32 41  1  0  0  0  0
M  END
>  <CHROM.1>
46.72986439,45.05076013,179.42960420,-156.63336362,-65.42985083,119.72176388
-27.04678215,-142.09927139,93.93754980,-148.11445369,87.65150762,-49.88797608
-44.33805301,64.71565241,147.73391294,211.75692261,202.47494580,246.50310333
-2.74747097,1.38898914,-1.24119762

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443978/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.97373

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-21.3737

>  <SCORE.INTRA.DIHEDRAL>
-2.93238

>  <SCORE.INTRA.DIHEDRAL.0>
14.8732

>  <SCORE.INTRA.POLAR>
-3.3653

>  <SCORE.INTRA.POLAR.0>
-0.657571

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.46553

>  <SCORE.INTRA.VDW.0>
-0.168037

>  <SCORE.INTRA.norm>
-0.667929

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
-0.217929

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004977

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  190.1989  223.7905  264.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1069  222.8564  265.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6189  222.9924  264.7903 N   0  3  0  0  0  0  0  0  0  0  0  0
  193.1460  224.4282  265.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9718  224.9288  266.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3426  221.9552  265.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8599  221.9407  265.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9072  222.7188  263.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3675  221.3900  262.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9058  220.1822  263.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2064  219.8750  263.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9827  220.5698  262.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5806  218.7066  263.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9088  218.2499  264.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1492  217.0734  264.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0759  216.4082  265.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7905  216.9340  265.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5482  218.0668  264.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3721  215.2500  266.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0064  215.1949  267.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3572  216.4248  264.9531 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4752  217.1544  265.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9439  218.7935  263.3498 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1841  218.2233  262.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
57.41671860,59.33889287,-178.56960062,-53.61454931,-63.53727486,-65.87835580
1.08207229,-171.92359527,-87.50381335,55.81051330,124.28406392,194.39579420
219.78199478,264.57270618,2.30947242,0.71867344,-0.60871877

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443979/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01265

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.683333

>  <SCORE.INTRA>
-11.3873

>  <SCORE.INTRA.DIHEDRAL>
-4.51593

>  <SCORE.INTRA.DIHEDRAL.0>
16.401

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00498554

>  <SCORE.INTRA.REPUL.0>
0.00498554

>  <SCORE.INTRA.VDW>
-9.10445

>  <SCORE.INTRA.VDW.0>
14.2409

>  <SCORE.INTRA.norm>
-0.474473

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.208861

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000612

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  210.9968  193.7540  242.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5860  193.2233  243.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5559  193.8344  244.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9364  194.9779  243.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3487  195.5020  242.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3766  194.8948  241.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7816  196.6130  242.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4077  195.8716  245.0401 I   0  0  0  0  0  0  0  0  0  0  0  0
  207.8938  196.7110  242.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-22.29044905,208.40254757,195.40003642,244.18749687,-0.19615993,-0.73506480
2.24858594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443980/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.31355

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.675

>  <SCORE.INTRA>
-0.0864533

>  <SCORE.INTRA.DIHEDRAL>
0.691094

>  <SCORE.INTRA.DIHEDRAL.0>
0.00177989

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.432

>  <SCORE.INTRA.VDW.0>
0.792542

>  <SCORE.INTRA.norm>
-0.0108067

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.664193

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001844

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  204.3690  195.3511  256.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5299  194.0514  256.3182 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.0136  192.9328  255.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5001  192.6547  255.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8761  192.5092  257.1465 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.8557  193.1325  258.1985 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4305  193.4308  257.7167 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5872  194.4628  258.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5977  195.0651  257.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1168  194.5347  256.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5095  194.5961  255.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9603  192.2329  259.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3851  192.3827  259.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4173  192.7958  259.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3454  192.9627  257.5913 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.5010  192.0776  257.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8675  192.5228  257.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8976  192.3206  259.1461 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.7417  193.0555  259.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1353  192.7946  259.6725 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6716  194.3962  257.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8544  192.2625  259.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  1  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-62.68044527,205.82041824,193.36111191,257.62969123,-2.79708266,-0.20764159
1.67451609

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443981/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.73548

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.257143

>  <SCORE.INTRA>
-0.664517

>  <SCORE.INTRA.DIHEDRAL>
-0.678041

>  <SCORE.INTRA.DIHEDRAL.0>
0.728556

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.325496

>  <SCORE.INTRA.VDW.0>
0.408321

>  <SCORE.INTRA.norm>
-0.0316436

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.225499

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002392

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 39  0  0  0  0  0  0  0  0999 V2000
  204.5139  198.0362  243.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2889  196.7834  243.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5905  195.8987  242.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3433  194.7239  242.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8614  194.4679  243.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5300  195.3472  245.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7512  196.4871  244.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8119  193.3433  244.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6489  193.9075  241.5489 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3655  194.5623  240.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7469  195.7283  240.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6665  193.7239  239.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2371  192.4145  239.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5142  191.8144  240.3734 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2508  192.5502  241.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2892  191.8227  242.7043 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.5690  192.2549  242.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3008  193.6279  241.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3243  194.4988  242.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2674  195.8952  241.2805 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4984  195.2393  240.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9690  194.0696  240.6704 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9777  195.9783  239.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4457  197.2198  238.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9393  197.8947  237.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9792  197.3406  236.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5104  196.1076  237.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0141  195.4308  238.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7404  191.5739  237.9780 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.4798  192.9560  237.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3717  194.0358  238.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0324  195.2348  237.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2505  194.7996  236.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2278  193.2371  236.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 31  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
58.32272504,84.75676809,-37.86298915,-133.29378074,-2.16418970,205.84644457
194.50663431,240.48912413,2.36534247,-0.75581982,1.94035894

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443982/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.08277

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.305882

>  <SCORE.INTRA>
-6.31723

>  <SCORE.INTRA.DIHEDRAL>
-2.15484

>  <SCORE.INTRA.DIHEDRAL.0>
15.1514

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.23981

>  <SCORE.INTRA.VDW.0>
-3.21896

>  <SCORE.INTRA.norm>
-0.185801

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.120082

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  213.4141  178.4948  253.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4368  178.7548  252.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8404  178.4423  251.5068 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9837  178.6885  250.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7186  179.2238  250.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3049  179.5023  251.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1750  179.2685  253.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4985  178.3441  249.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3638  177.2905  248.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0530  177.1155  247.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4983  178.2197  246.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0715  178.0289  245.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1904  176.7430  245.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7517  175.6410  245.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1938  175.8230  247.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6798  176.3005  250.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8227  175.8929  250.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6116  175.8231  251.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9612  175.1429  252.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9463  174.6674  253.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6122  174.8906  252.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3395  175.6073  251.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3208  176.0726  250.7623 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9367  175.8776  251.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0194  179.1545  247.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1032  180.3853  247.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5725  178.5539  246.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2482  177.1823  246.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8052  176.5210  245.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6770  177.2238  244.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0418  178.5682  244.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5163  179.2223  245.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
32.26245367,53.43925636,37.02581912,-138.31320026,-167.57121470,17.09059661
212.33544416,177.39971861,249.16616864,-1.78698264,0.72251243,-1.32869901

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443983/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.35377

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-6.04623

>  <SCORE.INTRA.DIHEDRAL>
-9.58096

>  <SCORE.INTRA.DIHEDRAL.0>
30.7542

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.25575

>  <SCORE.INTRA.VDW.0>
-5.11391

>  <SCORE.INTRA.norm>
-0.188945

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.167305

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000226

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  198.9844  216.7060  246.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7556  216.4924  245.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2484  215.1895  245.8300 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1390  214.8215  245.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6388  215.4551  244.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6935  213.5207  245.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8525  212.7691  246.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2222  211.5578  246.5687 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7068  211.5472  245.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9673  212.7073  244.7011 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4309  213.2798  247.8381 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7540  212.5196  248.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8627  211.1684  249.0156 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8998  210.7314  250.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8044  209.5633  250.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1812  211.8640  251.2918 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2189  213.3704  250.2965 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.2505  211.9477  252.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8169  212.2008  252.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2161  213.2385  252.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3006  211.1087  251.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9475  211.2870  251.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0312  210.1845  247.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6756  212.9544  243.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
179.99169633,7.58145014,24.17939928,-169.39268393,-62.61812609,-110.49581480
-178.96857590,196.13181619,212.79309179,248.44899671,-1.30110703,0.97085588
1.84326382

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443984/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06981

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-6.33019

>  <SCORE.INTRA.DIHEDRAL>
-14.4032

>  <SCORE.INTRA.DIHEDRAL.0>
20.9407

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0.205069

>  <SCORE.INTRA.VDW>
1.06268

>  <SCORE.INTRA.VDW.0>
0.286253

>  <SCORE.INTRA.norm>
-0.275226

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.263905

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  207.8520  199.2464  246.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4235  200.1183  244.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7259  199.6541  243.8587 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6995  201.5731  245.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1160  201.7540  245.6595 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3262  201.1910  246.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.2895  202.7237  245.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <CHROM.1>
98.56140977,-63.68149262,208.80140376,200.48070721,245.18295861,2.64420208
-0.90698156,-1.93275734

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443985/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.99173

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-0.408268

>  <SCORE.INTRA.DIHEDRAL>
-0.447688

>  <SCORE.INTRA.DIHEDRAL.0>
1.71227

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.184424

>  <SCORE.INTRA.VDW.0>
-0.18454

>  <SCORE.INTRA.norm>
-0.0816535

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.39835

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.101617

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  196.0436  209.4302  241.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7839  208.2284  241.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8429  207.3826  240.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5404  206.0314  240.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5903  205.1258  239.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0300  205.5093  238.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3458  206.8505  238.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2448  207.7833  239.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1267  204.5074  237.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1488  204.8659  236.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0882  203.7060  235.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1044  202.6109  236.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1832  203.0904  237.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2301  202.2572  238.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0286  202.4241  239.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9736  203.4795  239.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7690  204.3060  240.1342 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8855  201.4309  241.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0987  200.4930  240.9033 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6363  201.6877  242.1626 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6752  200.8930  243.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4301  201.3667  244.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4722  200.6599  245.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7852  199.4542  245.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0600  198.9385  244.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0105  199.6702  243.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3413  197.6151  244.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1409  197.1991  246.0449 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.1092  197.6420  244.1843 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.0225  196.6074  244.1495 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.0133  203.7092  234.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9513  202.5047  233.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8794  202.5224  232.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8768  203.7350  231.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9360  204.9360  232.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9946  204.9285  233.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1659  205.6577  242.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9869  204.6674  242.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1412  202.5652  242.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  3  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
-130.64785583,-121.13890517,159.86715067,179.98788160,-46.70711390,2.71287304
-175.86645723,18.04770093,197.43445630,202.86365746,240.09105914,2.75214747
1.48305422,-2.19474748

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443994/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.20693

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-6.19307

>  <SCORE.INTRA.DIHEDRAL>
-4.20009

>  <SCORE.INTRA.DIHEDRAL.0>
18.4978

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.09303

>  <SCORE.INTRA.VDW.0>
2.52702

>  <SCORE.INTRA.norm>
-0.162976

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.189656

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  221.9570  179.3213  246.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2948  179.2996  246.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1147  180.4369  246.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3638  180.4294  247.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7891  179.2813  247.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9899  178.1369  247.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7412  178.1511  247.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3655  179.2722  248.7336 S   0  0  0  0  0  0  0  0  0  0  0  0
  227.6364  180.5838  249.2778 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.5039  178.0654  249.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.3931  179.0951  247.4188 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.2224  178.2022  246.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
  228.3231  179.9080  246.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
35.06148049,-63.16455537,225.77180071,179.27680680,247.85648041,-2.97801576
0.41150713,2.77118981

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443995/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.05872

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-1.34128

>  <SCORE.INTRA.DIHEDRAL>
-2.31744

>  <SCORE.INTRA.DIHEDRAL.0>
3.56102

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.182559

>  <SCORE.INTRA.VDW.0>
-0.680654

>  <SCORE.INTRA.norm>
-0.121934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.550793

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001740

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  196.3863  202.9078  242.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0404  204.0695  243.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3282  204.5448  243.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2532  205.7379  244.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0048  205.9491  244.7309 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2474  204.9017  244.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2799  206.5782  244.5597 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3203  207.7537  245.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3647  208.5895  245.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6226  208.3095  244.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0548  207.1669  244.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2577  209.4875  243.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2570  210.7158  244.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8642  211.0819  245.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1536  209.9154  246.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3597  210.0719  246.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1862  206.2912  244.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-179.54481872,199.41165174,207.34953622,244.69041200,-2.24865345,0.32912081
0.52875232

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443996/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.12382

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.276181

>  <SCORE.INTRA.DIHEDRAL>
-0.323693

>  <SCORE.INTRA.DIHEDRAL.0>
0.336185

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.114335

>  <SCORE.INTRA.VDW.0>
-0.156492

>  <SCORE.INTRA.norm>
-0.0172613

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.382739

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000641

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  223.9497  186.5994  243.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5355  186.2988  242.7413 N   0  3  0  0  0  0  0  0  0  0  0  0
  222.2288  185.5977  241.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9047  185.3079  241.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8876  185.7442  242.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2169  186.4644  243.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5622  186.7287  243.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2283  186.9789  244.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6229  187.6027  245.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9018  186.7525  244.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4891  186.2719  243.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.2541  187.1275  244.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-179.96021509,220.78144429,186.43768815,243.18936530,-0.49821008,0.06696134
1.02439587

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443997/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39155

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.00845182

>  <SCORE.INTRA.DIHEDRAL>
-0.0220653

>  <SCORE.INTRA.DIHEDRAL.0>
0.0221238

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00258081

>  <SCORE.INTRA.VDW.0>
0.157159

>  <SCORE.INTRA.norm>
-0.000845182

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.639155

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004739

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  201.1654  209.0401  239.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8021  208.2083  240.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2130  208.6711  241.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0732  208.2361  242.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4630  208.7164  244.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3238  208.2869  245.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7191  208.7616  246.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5814  208.3313  247.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1531  207.5307  248.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9447  207.0635  249.9819 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.0076  205.6040  249.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0248  204.4042  249.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0259  202.8818  250.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0354  201.6838  250.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0644  200.2237  250.1535 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.4529  199.7584  250.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7935  199.0450  251.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6543  199.6823  248.9050 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3368  207.4783  251.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7433  199.9918  248.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9182  207.1618  251.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-120.46569150,179.88658516,-179.79720930,-179.91793978,-179.89395988,-119.68587107
-119.68630284,-109.30771194,-178.39368867,-75.81235474,-34.39992992,120.04527944
-61.62842833,201.60120988,205.47251372,247.29805178,-2.77854965,-1.40836801
1.12045828

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443998/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.6558

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.863158

>  <SCORE.INTRA>
-1.74417

>  <SCORE.INTRA.DIHEDRAL>
-1.29243

>  <SCORE.INTRA.DIHEDRAL.0>
1.32147

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09796

>  <SCORE.INTRA.VDW.0>
-0.975105

>  <SCORE.INTRA.norm>
-0.0917985

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.771359

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  187.2691  217.0484  257.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2002  217.7423  258.4551 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2632  216.6920  258.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5087  217.2714  259.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2154  217.8036  260.9573 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0135  216.6858  261.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6229  217.1881  263.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6488  218.1733  263.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9091  219.2771  262.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2720  218.7000  261.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8095  219.0508  257.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2103  220.3069  258.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7515  221.4822  257.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9050  221.4333  256.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5101  220.2077  256.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9632  219.0315  257.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3353  218.0838  259.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2557  217.5587  259.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8416  219.0021  260.5801 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2351  219.5639  261.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7723  218.8134  260.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
163.16964717,93.75236714,18.84759767,70.54938602,74.17977628,153.27992479
189.21897532,218.52560350,259.70484551,1.85543633,-0.64469660,-1.04587528

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/443/14443999/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.07133

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-4.32867

>  <SCORE.INTRA.DIHEDRAL>
2.93407

>  <SCORE.INTRA.DIHEDRAL.0>
1.62387

>  <SCORE.INTRA.POLAR>
-0.999056

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.39891

>  <SCORE.INTRA.VDW.0>
1.80177

>  <SCORE.INTRA.norm>
-0.227825

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.372175

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000949

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 47  0  0  0  0  0  0  0  0999 V2000
  202.3230  199.8276  243.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5522  198.5707  243.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7089  198.5169  242.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9192  197.3840  241.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9703  196.2660  242.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8173  196.3214  243.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6090  197.4538  244.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7653  194.9022  242.5199 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6242  195.4558  243.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7096  194.7041  241.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1103  193.0147  243.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1626  193.5430  244.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2833  193.2686  243.0997 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4101  192.0101  243.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5411  191.3635  243.7456 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3361  190.0876  243.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5277  189.4075  244.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5549  188.0362  244.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3476  187.3752  243.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1261  188.0938  243.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0393  189.5066  243.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8547  190.2525  243.4437 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0570  191.6409  243.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3767  193.2435  241.5772 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.0916  192.0424  240.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9697  194.4703  240.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9511  195.1677  241.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3719  196.4241  241.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7942  197.0118  240.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7897  196.3496  239.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3796  195.0828  239.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1762  193.4696  245.4006 N   0  5  0  0  0  0  0  0  0  0  0  0
  201.5740  193.5850  246.2126 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.7745  193.9414  245.4586 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4803  194.1946  247.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9374  191.8450  246.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8551  190.9640  246.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0439  189.6278  246.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3229  189.1494  247.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4150  190.0377  247.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2285  191.3962  246.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4980  187.6965  247.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 23  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  2  0  0  0  0
M  CHG  1  32  -1
M  END
>  <CHROM.1>
-80.56764674,15.88574558,157.92714577,-132.97927154,31.73138980,7.88882828
-22.44735273,201.32120483,193.25825318,243.76516144,-2.77795330,1.41586199
-2.39688603

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444000/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.90378

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.295238

>  <SCORE.INTRA>
-15.3038

>  <SCORE.INTRA.DIHEDRAL>
-8.44927

>  <SCORE.INTRA.DIHEDRAL.0>
21.7817

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.0791

>  <SCORE.INTRA.VDW.0>
-1.87204

>  <SCORE.INTRA.norm>
-0.364376

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
-0.0691376

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000052

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  194.6379  219.6390  257.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4225  219.5529  256.9972 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.8309  218.2049  257.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4566  220.5840  257.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8393  219.7744  255.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6960  219.7219  254.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1978  219.9914  253.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0975  219.9834  252.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1983  221.2322  252.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3988  221.2798  253.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3958  220.3292  253.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6656  220.3750  254.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9259  221.3709  255.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9178  222.3240  255.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6530  222.2804  254.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-179.99406605,178.67156275,-178.67500453,73.31587654,-65.48702788,-67.22693403
191.71028519,220.39881803,254.98839957,0.74358351,-0.40202484,1.61811036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444001/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1384

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
0.705035

>  <SCORE.INTRA.DIHEDRAL.0>
0.860399

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
2.1421

>  <SCORE.INTRA.norm>
-0.0841039

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.675896

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.202765

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  198.8938  204.5537  253.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4502  204.9869  253.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7987  204.8892  252.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0124  205.4691  254.9253 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7124  205.9195  255.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4984  206.4318  256.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2436  206.9268  256.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1875  206.8945  255.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3839  206.3601  254.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6409  205.8754  254.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7102  205.5877  255.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-176.89386202,195.76615320,205.79206373,254.82131993,-0.60442392,-0.25196123
1.25524091

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444010/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29445

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.105549

>  <SCORE.INTRA.DIHEDRAL>
-0.285839

>  <SCORE.INTRA.DIHEDRAL.0>
0.318088

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0373701

>  <SCORE.INTRA.VDW.0>
-0.18077

>  <SCORE.INTRA.norm>
-0.0105549

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.629445

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001337

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  195.8431  223.6996  262.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9221  223.5163  261.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9104  224.9935  259.9438 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.8325  224.3608  258.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7011  223.0679  258.5432 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9740  222.7843  257.4088 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4829  223.8611  256.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9893  225.3300  257.6014 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.7204  223.9917  255.7091 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2492  222.9846  255.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3865  221.5092  255.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8375  220.5577  254.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0308  219.2204  254.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8063  218.8267  256.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3283  219.7435  257.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0796  221.0634  256.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0905  217.4952  256.5489 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7190  217.0972  256.8267 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.7294  215.8624  257.5834 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4374  217.1638  255.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2728  218.4055  257.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8271  218.5398  259.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2077  219.6931  259.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0396  220.6581  259.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5323  220.4896  258.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1398  219.3644  257.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4362  221.5088  257.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9247  217.5750  259.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5658  223.0489  253.9937 O   0  5  0  0  0  0  0  0  0  0  0  0
  191.6222  216.7526  256.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  1  29  -1
M  END
>  <CHROM.1>
177.70870605,-23.34947319,3.94117979,-129.79839183,77.20027303,164.50405321
69.11387695,193.39684409,221.06697681,257.57502397,-1.39564068,0.92806877
-2.99194453

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444011/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.37215

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-8.02785

>  <SCORE.INTRA.DIHEDRAL>
-15.4638

>  <SCORE.INTRA.DIHEDRAL.0>
25.5349

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.295963

>  <SCORE.INTRA.VDW.0>
-5.17615

>  <SCORE.INTRA.norm>
-0.276822

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.150764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  203.0770  217.7276  251.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4667  218.3469  251.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1313  218.1665  252.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4632  218.7713  252.5809 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1557  218.5056  253.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3799  219.7788  252.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
-179.85244362,-175.00200854,205.26997409,218.31861593,252.29516190,2.72641988
-0.44019794,-1.10787964

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444012/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.37527

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-0.0247282

>  <SCORE.INTRA.DIHEDRAL>
0.0354948

>  <SCORE.INTRA.DIHEDRAL.0>
0.000370629

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0424756

>  <SCORE.INTRA.VDW.0>
-0.169704

>  <SCORE.INTRA.norm>
-0.00494564

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.47505

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.056182

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  219.8106  188.6774  248.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6870  187.7511  247.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9222  188.1080  246.6743 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.1963  189.5035  246.9277 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4061  189.9221  248.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7913  187.8484  245.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5489  186.4231  244.9041 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5876  185.5562  245.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7662  186.0926  245.6870 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7481  185.2533  246.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5992  183.9270  246.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4162  183.4030  245.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2650  182.0337  245.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0644  181.3912  245.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9931  182.1310  245.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1239  183.5126  245.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3400  184.1700  245.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9936  185.7983  246.3309 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.2948  187.1345  246.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3692  188.1732  246.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7306  189.4991  246.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0172  189.8227  247.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9496  188.8053  247.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5874  187.4700  247.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8344  190.5154  246.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3643  186.2811  243.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.6560  185.0971  246.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.9651  190.1225  246.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-60.94965681,-62.34980096,-10.97431134,16.90306901,-11.69571623,6.21686156
222.56851900,186.61000878,246.33880050,1.13148263,-0.00114710,0.23814871

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444013/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.68989

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-6.71011

>  <SCORE.INTRA.DIHEDRAL>
-5.15499

>  <SCORE.INTRA.DIHEDRAL.0>
6.70928

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.732615

>  <SCORE.INTRA.VDW.0>
-0.461194

>  <SCORE.INTRA.norm>
-0.268404

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.147596

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000204

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  202.9361  212.8323  255.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6700  212.6142  254.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0670  211.3514  254.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8865  211.1214  253.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3044  212.1720  252.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8795  213.4451  252.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0732  213.6519  253.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3277  214.5462  252.0742 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1485  214.5480  251.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3981  213.5812  251.2326 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7859  215.8569  250.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6570  216.0468  249.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6302  215.0685  249.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5117  215.2850  248.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4637  214.2459  248.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6182  212.9809  249.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6338  211.9955  249.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4910  212.2573  248.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3322  213.5020  247.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3149  214.4802  247.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6592  216.9639  250.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4102  217.8372  251.0159 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2262  209.7734  253.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8613  215.4055  252.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <CHROM.1>
1.32459124,-178.18868814,179.42877505,-2.23666228,197.32503365,213.72469642
251.20636634,0.28672499,0.50391212,2.79970358

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444014/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.18126

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-2.21874

>  <SCORE.INTRA.DIHEDRAL>
-5.67128

>  <SCORE.INTRA.DIHEDRAL.0>
5.69815

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.616896

>  <SCORE.INTRA.VDW.0>
-0.400863

>  <SCORE.INTRA.norm>
-0.0964671

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.312229

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000315

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  208.3441  189.0073  249.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3300  188.3233  248.1851 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.7744  186.9373  248.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3052  186.9302  248.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6163  187.9966  247.6485 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6399  189.1097  248.0031 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6968  190.2640  246.9773 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0447  190.3921  246.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1390  189.7102  246.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9915  188.6150  247.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9415  188.2242  248.3092 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0629  191.3004  245.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4395  192.7428  245.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9315  190.8008  243.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6423  190.1597  246.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7485  189.3193  245.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-61.24894590,91.28436714,211.37311475,189.38049954,247.07566068,2.02990518
-0.16393088,2.42558372

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444015/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.76927

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.630729

>  <SCORE.INTRA.DIHEDRAL>
0.523016

>  <SCORE.INTRA.DIHEDRAL.0>
0.634694

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.892237

>  <SCORE.INTRA.VDW.0>
0.788748

>  <SCORE.INTRA.norm>
-0.0420486

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.384618

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  195.1094  223.1342  253.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2083  222.9952  254.8935 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3452  221.8166  255.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1469  220.9346  255.3013 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3482  221.7728  256.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3460  220.6406  257.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4796  222.8401  256.8607 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8632  223.3201  258.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8596  224.3175  258.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2123  224.7124  259.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5566  224.0995  260.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5539  223.1259  260.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1963  222.7527  259.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8566  224.4723  261.6613 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.9788  225.3392  261.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1828  223.8856  262.7045 O   0  5  0  0  0  0  0  0  0  0  0  0
  190.4391  224.9715  256.7696 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.0143  224.6589  255.7165 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5360  225.8162  256.8402 O   0  5  0  0  0  0  0  0  0  0  0  0
  192.2138  223.2862  255.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  4  14   1  16  -1  17   1  19  -1
M  END
>  <CHROM.1>
0.51948113,178.01767976,-171.55487905,191.84622328,223.48621607,257.92091754
0.64995107,0.76750097,-1.21598347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444016/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.43605

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-0.963945

>  <SCORE.INTRA.DIHEDRAL>
-3.04378

>  <SCORE.INTRA.DIHEDRAL.0>
3.16681

>  <SCORE.INTRA.POLAR>
0.0118726

>  <SCORE.INTRA.POLAR.0>
-0.0118726

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.517576

>  <SCORE.INTRA.VDW.0>
1.35537

>  <SCORE.INTRA.norm>
-0.050734

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.391371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  186.3524  209.1351  262.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6328  210.6101  262.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9135  211.0422  261.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2631  212.4010  261.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5319  212.8411  261.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8420  214.2038  261.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8484  215.0955  262.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1566  216.4512  262.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4202  216.9544  261.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3971  216.0566  261.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0990  214.6836  261.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7670  216.4658  260.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5723  218.3456  261.5426 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6242  214.6789  262.3961 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3320  213.3628  262.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0673  212.9201  262.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7034  211.5604  262.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3591  211.2351  262.9919 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1863  218.7521  262.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7912  218.6788  260.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.8842  210.7798  262.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.2056  210.7466  263.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 17  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 15  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <CHROM.1>
113.24171088,-53.03052794,188.53558281,213.79196913,261.95305003,-2.32579501
0.31855655,0.08692315

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444017/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25566

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-1.14434

>  <SCORE.INTRA.DIHEDRAL>
-0.364881

>  <SCORE.INTRA.DIHEDRAL.0>
1.23

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.961902

>  <SCORE.INTRA.VDW.0>
0.106229

>  <SCORE.INTRA.norm>
-0.0635746

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.347537

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000087

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  187.2674  212.1918  249.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1361  212.3491  248.6102 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.8547  213.8510  248.8560 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.2820  214.3058  247.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3756  213.1684  247.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5774  212.0842  248.2061 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.4019  212.3693  249.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6049  213.5161  250.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0161  213.8075  250.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8739  214.7438  249.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8229  211.8818  247.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7576  210.5162  247.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3057  209.7313  248.1467 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6046  210.1350  246.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0820  211.1278  245.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8326  210.7144  244.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1121  209.3518  243.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6127  208.3913  244.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8720  208.8040  245.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9114  208.9126  242.7736 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.4137  209.7762  242.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0713  207.6846  242.6213 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
85.22457517,-6.54445936,-11.60848609,186.76671629,211.34040140,246.80260083
3.07819187,0.96230852,-0.57215070

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444026/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.32554

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-4.07446

>  <SCORE.INTRA.DIHEDRAL>
-4.91722

>  <SCORE.INTRA.DIHEDRAL.0>
6.64677

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.61585

>  <SCORE.INTRA.VDW.0>
3.28845

>  <SCORE.INTRA.norm>
-0.185203

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.196615

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000463

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  210.1892  194.5869  245.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2463  193.2316  246.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1124  192.1168  245.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1816  190.8086  246.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3434  190.6839  247.5609 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4781  191.8514  248.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6735  192.0835  249.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7168  193.4867  249.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5716  194.1134  248.5683 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4299  193.1156  247.6602 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8123  191.1354  250.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9943  191.5272  251.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7317  189.7990  250.3407 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9148  188.8428  251.2923 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8593  187.6049  250.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0892  186.5314  251.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3764  186.8735  253.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6187  185.8777  254.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5822  184.5410  253.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2906  184.1894  252.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0363  185.1913  251.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8420  183.5391  254.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8986  186.0744  255.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1772  187.1190  256.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0025  189.5922  245.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9962  188.3367  246.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7589  187.1868  245.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5347  187.2869  243.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5674  188.5318  243.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8131  189.6826  244.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5974  189.5558  249.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0083  183.9959  255.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-177.25537268,179.35521541,-178.78135163,-0.57657334,38.86972602,0.84921422
210.68256260,189.16040535,249.51743401,-2.52819132,1.40210709,-3.13700711

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444027/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.93652

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-0.463479

>  <SCORE.INTRA.DIHEDRAL>
0.385109

>  <SCORE.INTRA.DIHEDRAL.0>
1.51711

>  <SCORE.INTRA.POLAR>
-0.00157496

>  <SCORE.INTRA.POLAR.0>
-1.02908

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.650678

>  <SCORE.INTRA.VDW.0>
1.53886

>  <SCORE.INTRA.norm>
-0.0154493

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.331217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000200

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  191.1938  210.7805  251.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5263  211.6549  252.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6549  212.4596  253.0165 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3160  213.1748  253.9914 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5697  212.5009  254.3522 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9017  211.7296  253.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7466  213.3418  254.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2579  211.5449  255.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7407  214.2893  254.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2945  214.9427  255.4899 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3693  214.7264  254.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3319  214.9091  255.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0925  215.4393  254.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8368  215.7390  253.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8084  215.4708  252.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0593  214.9575  252.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0064  214.6837  251.7663 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.9903  215.4315  251.6823 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6917  213.8008  250.9517 O   0  5  0  0  0  0  0  0  0  0  0  0
  191.9188  212.0828  256.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5  8  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
>  <CHROM.1>
-61.94759713,127.29967881,190.46455872,213.73321620,253.43846982,0.13270297
0.63489599,-1.91404732

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444028/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.6342

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-1.7658

>  <SCORE.INTRA.DIHEDRAL>
-1.29461

>  <SCORE.INTRA.DIHEDRAL.0>
9.66387

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.11849

>  <SCORE.INTRA.VDW.0>
-0.367197

>  <SCORE.INTRA.norm>
-0.0929366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.243905

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002291

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  191.5061  209.8819  268.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6148  209.8459  267.1901 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3913  208.7130  267.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1670  207.6745  267.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5375  208.8856  266.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0738  208.7078  264.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0523  209.7664  264.1964 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.6517  211.1822  264.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9563  211.7881  263.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7552  211.7438  265.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5409  209.4226  262.8548 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9318  210.7117  266.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1156  212.6509  265.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8478  210.1268  262.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0281  208.5410  262.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-80.94065745,63.32828169,65.78384499,104.85940058,178.81223856,-178.69432788
193.27793493,209.82063737,265.49000074,2.28319611,-1.32287875,2.73866186

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444029/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.06753

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-5.33247

>  <SCORE.INTRA.DIHEDRAL>
0.14116

>  <SCORE.INTRA.DIHEDRAL.0>
2.6762

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.00305

>  <SCORE.INTRA.VDW.0>
0.335138

>  <SCORE.INTRA.norm>
-0.48477

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.460684

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030772

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  216.1019  191.8796  250.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1468  190.9233  249.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6283  189.6356  249.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0983  189.3324  251.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0804  190.3024  252.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5569  191.5674  251.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5720  189.8813  253.3801 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2736  190.8596  254.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5224  191.3195  253.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5114  190.6079  253.2454 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4947  192.5955  252.9137 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6205  188.6501  248.8740 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0201  187.3382  248.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8226  186.7706  247.7639 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2890  187.7457  246.9642 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1584  188.8875  247.6255 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6491  193.1477  252.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.2900  192.9395  252.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-178.84325940,145.55421818,-63.07271853,-71.09028984,217.42583356,189.90752374
250.83348303,1.05610370,-0.73711394,0.65727722

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444030/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.41903

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-1.98097

>  <SCORE.INTRA.DIHEDRAL>
-2.57495

>  <SCORE.INTRA.DIHEDRAL.0>
5.57526

>  <SCORE.INTRA.POLAR>
0.0649427

>  <SCORE.INTRA.POLAR.0>
-0.0649427

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.9143

>  <SCORE.INTRA.VDW.0>
0.744982

>  <SCORE.INTRA.norm>
-0.123811

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.463689

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001794

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  213.2381  185.4470  249.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1651  185.6887  248.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9733  184.6398  248.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8963  183.3464  248.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9356  183.1137  249.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1158  184.1638  250.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7736  182.3047  248.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9038  180.9709  248.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9906  180.2288  247.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1228  179.0388  247.8556 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7608  180.9114  246.6521 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8974  180.3134  245.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3742  178.9959  246.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5138  178.4729  245.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1224  179.2749  244.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6790  180.5324  244.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5518  181.0151  244.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1838  178.6180  244.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2066  177.3987  244.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2199  177.2539  245.5874 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3694  176.5227  244.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6583  175.4354  245.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9944  175.2117  245.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9364  176.2076  245.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5919  177.2923  244.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4785  176.9988  243.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8939  176.5199  242.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1925  176.7765  241.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0109  177.6687  242.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5846  178.0584  243.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6831  179.7471  244.1228 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.4641  181.8356  246.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-177.89553618,179.38505404,-4.24022030,164.01123423,220.70375724,179.63644929
245.78875442,-2.68546290,-0.44502880,3.10542827

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444031/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24009

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-2.15991

>  <SCORE.INTRA.DIHEDRAL>
-4.04754

>  <SCORE.INTRA.DIHEDRAL.0>
4.81778

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.136138

>  <SCORE.INTRA.VDW.0>
-0.569443

>  <SCORE.INTRA.norm>
-0.0696745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.233551

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000269

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  199.4130  189.0365  239.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9481  188.7225  240.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8008  189.6319  241.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3224  189.3879  242.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9709  188.1863  243.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0960  187.2819  242.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5950  187.5497  241.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6313  187.7067  245.1237 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.5199  188.8121  246.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0379  186.4207  245.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2632  187.4702  244.8531 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2136  187.5894  245.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6081  187.2613  245.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3572  185.9939  244.2137 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.7034  186.6233  243.7243 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.7762  187.3461  242.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5884  188.4898  242.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6813  189.1995  241.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9724  188.7477  239.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1976  187.5918  240.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0528  186.9177  241.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2140  185.8389  241.4097 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6582  184.6359  240.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0864  189.4756  238.7726 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8750  189.8595  238.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4201  190.3472  240.9072 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7863  190.2652  241.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2258  190.4295  243.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
48.25645693,155.86269009,57.40387684,53.82744573,-128.80066898,-108.42538011
202.86794816,187.99973621,242.55118150,1.57376991,-0.02895112,-1.21763083

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444032/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.48059

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-6.91941

>  <SCORE.INTRA.DIHEDRAL>
8.56442

>  <SCORE.INTRA.DIHEDRAL.0>
4.20066

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.2016

>  <SCORE.INTRA.VDW.0>
4.99941

>  <SCORE.INTRA.norm>
-0.247122

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.160021

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  203.8541  192.2754  241.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7282  192.3936  242.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3503  191.3913  243.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2873  191.5091  244.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5381  192.6715  244.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5352  192.7992  245.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9778  193.7135  243.6119 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9739  193.6656  242.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2159  194.6193  241.9423 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8585  190.3892  245.1244 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.0839  190.5937  246.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1047  189.6031  247.2046 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9243  189.6806  246.2259 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4599  190.1144  244.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1545  188.3806  246.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0155  187.3942  245.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7531  188.3389  247.2953 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4385  194.5667  243.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7790  187.3231  246.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5091  188.4034  247.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
113.28840964,63.31146035,-62.46628111,55.30432520,200.77806763,191.09086560
244.65499928,-1.03228108,-0.59643016,2.77921975

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444033/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.07581

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-3.32419

>  <SCORE.INTRA.DIHEDRAL>
-3.19042

>  <SCORE.INTRA.DIHEDRAL.0>
5.77978

>  <SCORE.INTRA.POLAR>
-0.466777

>  <SCORE.INTRA.POLAR.0>
-0.352981

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.141942

>  <SCORE.INTRA.VDW.0>
-0.646417

>  <SCORE.INTRA.norm>
-0.195541

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.239753

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000704

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  201.4448  190.2140  246.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1746  190.9222  246.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0395  192.2705  246.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6337  192.8407  247.2139 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.6072  191.8163  247.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8666  190.4923  247.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0830  190.0970  247.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7376  189.2724  248.1992 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.1750  188.5280  246.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0395  189.5906  245.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6126  189.4565  244.4876 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2312  190.6618  245.9313 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8502  191.7309  245.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2778  192.8670  245.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9220  193.9699  244.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1136  193.9362  243.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6459  192.7966  242.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0077  191.6993  243.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4177  192.3321  248.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4631  192.7752  248.8053 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1320  193.4926  245.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3006  192.8009  244.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9258  193.3667  243.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3544  194.6316  243.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1451  195.3212  244.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5299  194.7598  245.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2486  195.6933  247.2973 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.2319  193.1918  246.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3686  192.7323  246.8904 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9718  194.5431  246.6750 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9521  195.5572  246.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5176  196.8882  246.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4414  197.9361  246.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8053  197.6638  246.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2436  196.3444  246.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3216  195.2994  246.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2155  189.0937  247.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9645  190.7452  246.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0306  194.8896  246.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  6  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  3  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 39  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <CHROM.1>
-16.40296796,45.48836403,111.25737707,-37.28906358,126.19946447,-166.56235420
-175.65281227,198.23738532,192.94772526,246.18128192,-0.54996689,0.30683958
2.81752977

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444042/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.96738

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.344444

>  <SCORE.INTRA>
-4.43262

>  <SCORE.INTRA.DIHEDRAL>
0.0638335

>  <SCORE.INTRA.DIHEDRAL.0>
7.38951

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.46453

>  <SCORE.INTRA.VDW.0>
-3.28617

>  <SCORE.INTRA.norm>
-0.123128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.221316

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  212.9947  193.0223  240.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9792  193.8052  239.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5736  193.9967  238.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5537  194.7742  237.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0537  195.8961  237.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1147  194.0880  236.4693 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3333  194.6074  235.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7912  193.7394  234.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9990  194.2068  232.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7697  195.5495  232.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3403  196.4370  233.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1366  195.9547  234.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1877  197.8508  233.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3491  198.4281  232.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9965  200.1056  232.1180 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.6036  199.9306  233.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8120  198.7262  234.2624 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0920  200.9778  234.4818 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4151  201.3178  235.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9037  200.5430  236.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2445  200.8155  238.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1041  201.8753  238.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5949  202.6647  237.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2465  202.4010  236.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6549  203.9740  237.8383 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.8585  199.1997  236.5714 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.2977  193.1009  236.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1603  201.2818  234.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.97252162,-112.47253221,-173.86502588,4.45805436,-140.92005438,-74.25048323
211.99128191,198.31978765,235.84516243,-0.94276517,-1.55739909,0.61087489

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444043/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.00391

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-3.39609

>  <SCORE.INTRA.DIHEDRAL>
-3.3973

>  <SCORE.INTRA.DIHEDRAL.0>
5.66558

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0102035

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.74845

>  <SCORE.INTRA.VDW.0>
-0.928018

>  <SCORE.INTRA.norm>
-0.130619

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.307843

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000127

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  200.6251  203.1280  244.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1776  201.9125  244.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1269  200.7926  244.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2152  202.2977  242.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6438  201.5811  244.6803 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.3990  200.4450  243.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9002  199.0194  244.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2565  198.8898  245.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2685  199.9256  246.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7839  201.2973  246.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5097  199.5124  247.9665 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.8188  198.1321  247.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3637  197.8451  246.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0547  196.6791  245.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8728  195.7288  244.5892 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8067  197.5681  247.9961 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8568  196.2095  248.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2785  195.3305  247.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7408  195.8790  249.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8239  194.8764  249.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7403  195.4122  247.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4165  196.5707  248.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2470  197.2085  247.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7485  198.4638  247.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5715  199.1985  247.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8998  198.6791  245.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4237  197.4314  245.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6013  196.6974  246.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8945  199.5840  244.7803 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.3708  199.1515  249.4997 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.8833  197.9574  247.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  2  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-175.67807991,-128.37314590,-96.35673334,-123.59578742,60.60196479,62.19574324
-177.59138987,169.98649259,202.69150177,198.63577136,246.52393330,1.30506707
-0.05374406,-0.68244855

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444044/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56459

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-6.83541

>  <SCORE.INTRA.DIHEDRAL>
0.355606

>  <SCORE.INTRA.DIHEDRAL.0>
3.75778

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.01321

>  <SCORE.INTRA.VDW.0>
0.834851

>  <SCORE.INTRA.norm>
-0.227847

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.21882

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  195.9811  204.0313  243.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4867  204.1703  243.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8577  205.4922  243.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3646  205.6403  243.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6742  206.8751  244.6269 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0097  207.1442  244.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9360  207.1291  243.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2918  207.3592  243.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7579  207.6054  245.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8537  207.6487  246.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4720  207.4430  246.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6248  207.5918  247.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1643  207.8631  248.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2612  207.4518  247.2441 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3700  207.5962  248.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3016  206.3587  249.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7660  205.0879  248.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4476  204.7210  247.3552 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7453  203.6296  246.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4256  202.3480  247.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8749  202.7636  247.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8304  204.2505  247.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8658  207.2177  246.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
179.10040244,-178.49580347,-179.53410115,53.70471922,-179.59603837,-79.69868381
-61.99630687,52.74572099,-170.96337311,199.67520316,205.88567734,246.10338833
-3.09510527,0.67176982,1.45127319

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444045/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.319

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.654545

>  <SCORE.INTRA>
-2.081

>  <SCORE.INTRA.DIHEDRAL>
2.99806

>  <SCORE.INTRA.DIHEDRAL.0>
1.65667

>  <SCORE.INTRA.POLAR>
-0.0136216

>  <SCORE.INTRA.POLAR.0>
-0.628695

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.53371

>  <SCORE.INTRA.VDW.0>
-0.338332

>  <SCORE.INTRA.norm>
-0.0945908

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.559955

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000294

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  218.8632  184.0258  246.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5246  184.2356  244.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3301  183.2393  243.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9241  183.4346  242.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7067  184.5355  242.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9080  185.5191  243.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3090  185.3629  244.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5823  186.6301  245.5699 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.1261  184.3552  240.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5551  183.1610  240.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8232  182.6012  241.4180 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6420  182.4908  239.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2619  182.9904  238.1735 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9438  181.2936  239.0302 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9159  180.3966  237.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1364  179.2368  238.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0977  178.2884  237.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8532  178.4927  235.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6437  179.6345  235.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6580  180.5867  236.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9278  177.2219  234.6023 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.8128  176.3285  234.8212 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0760  177.9248  233.3416 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3932  176.4451  234.8786 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5373  175.9943  236.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9772  174.8295  236.5133 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0383  174.5035  237.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6122  175.3114  238.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1584  176.4869  238.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1484  176.8503  237.0106 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9941  185.2667  240.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3814  181.0648  239.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.1604  177.0685  234.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-2.25640250,-179.58735244,18.36495612,53.81452982,82.42207567,220.44581137
180.67679802,239.23417534,3.08582382,1.54937250,-0.74055356

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444046/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.58307

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-0.816925

>  <SCORE.INTRA.DIHEDRAL>
-0.716064

>  <SCORE.INTRA.DIHEDRAL.0>
2.49203

>  <SCORE.INTRA.POLAR>
-0.0122494

>  <SCORE.INTRA.POLAR.0>
-0.0951479

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.417245

>  <SCORE.INTRA.VDW.0>
-3.33859

>  <SCORE.INTRA.norm>
-0.0263524

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.309131

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  214.9690  177.2438  243.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0412  176.1723  244.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0392  175.9615  245.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2845  174.9332  246.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4468  174.1536  246.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4285  174.3747  245.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1885  175.3447  244.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5100  173.4986  245.7519 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7592  176.7257  246.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9642  176.9683  244.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7867  177.7261  244.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3509  178.2357  246.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1074  178.0129  247.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3064  177.2922  247.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2443  172.5184  245.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2625  173.6816  246.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
46.26477777,46.90499222,213.85823666,176.16028691,245.80102873,-0.22315664
0.52998083,-1.05106645

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444047/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12246

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.277542

>  <SCORE.INTRA.DIHEDRAL>
0.528697

>  <SCORE.INTRA.DIHEDRAL.0>
2.52576

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.541891

>  <SCORE.INTRA.VDW.0>
-0.105915

>  <SCORE.INTRA.norm>
-0.0198244

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.508747

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001853

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  206.0813  193.8938  252.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1681  194.4215  252.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1884  194.0551  254.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1838  194.5341  255.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1709  195.3882  254.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1706  195.7602  253.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1618  195.2788  252.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2574  196.6655  252.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1455  197.0825  253.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1497  196.9325  251.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1378  197.8528  251.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5210  197.2042  250.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8729  196.6632  249.9087 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2620  197.2527  252.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5895  196.7838  252.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1880  196.8226  253.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4911  196.3167  253.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2495  195.7650  252.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6343  195.7876  251.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3415  196.2923  251.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5452  195.2983  252.8741 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8176  193.8630  252.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7107  196.1050  252.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2042  194.1492  256.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7999  197.5760  252.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
0.77007678,177.11139787,73.63682000,91.07685705,-176.24739138,104.26857201
212.42012067,195.84957286,252.77616812,2.99072586,0.00803595,2.14358148

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444048/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.10027

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-4.29973

>  <SCORE.INTRA.DIHEDRAL>
-0.98354

>  <SCORE.INTRA.DIHEDRAL.0>
3.7704

>  <SCORE.INTRA.POLAR>
-0.523789

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.02708

>  <SCORE.INTRA.VDW.0>
2.64387

>  <SCORE.INTRA.norm>
-0.179155

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.295845

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000482

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  211.6567  182.3130  248.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1118  181.0102  249.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3182  180.0918  249.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4613  180.9731  249.4374 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4009  180.2432  248.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3021  180.9148  247.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2881  180.2298  247.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2781  178.8413  247.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3742  178.1595  247.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4750  178.8527  248.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6163  178.2560  249.6951 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2275  177.4195  250.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3741  177.7615  246.2769 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.4395  177.4740  247.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5441  176.7096  245.7399 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0736  178.6218  244.9883 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0123  177.8922  244.1940 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2386  177.8594  244.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2427  177.1184  243.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5243  177.0498  244.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5676  176.3688  243.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8899  176.3793  243.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9141  175.7921  243.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6296  175.1944  241.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3219  175.1812  241.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2988  175.7688  242.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2477  180.8664  246.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1133  181.7430  247.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7436  181.1987  250.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.0694  179.6363  245.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-106.13198025,106.61572053,60.39450059,95.13729271,-126.05851614,178.62872451
-85.49504480,-179.79656235,178.24980293,217.86432049,178.41066902,246.32629957
-2.92313596,-0.56801964,2.94373460

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444049/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.66243

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-4.73757

>  <SCORE.INTRA.DIHEDRAL>
2.54817

>  <SCORE.INTRA.DIHEDRAL.0>
7.47748

>  <SCORE.INTRA.POLAR>
-0.121053

>  <SCORE.INTRA.POLAR.0>
-0.548102

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.60008

>  <SCORE.INTRA.VDW.0>
3.17259

>  <SCORE.INTRA.norm>
-0.169199

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.345087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  211.5168  191.6299  253.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7056  192.2875  252.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6993  191.7616  250.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8687  191.4322  250.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8054  190.8414  248.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5672  190.5388  248.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4063  190.9203  249.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4459  191.5632  250.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2577  191.8641  250.9323 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3219  192.6516  250.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6520  193.3312  249.1422 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6774  194.0840  248.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3767  194.1404  249.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0458  193.4089  250.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0405  192.6505  250.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3748  194.9366  248.3525 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.7302  195.5512  247.3367 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2255  194.9461  248.8131 O   0  5  0  0  0  0  0  0  0  0  0  0
  208.1406  190.6364  248.4157 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.9921  191.0505  247.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3272  189.9381  249.0349 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.0121  190.7203  248.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1183  190.1574  248.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4146  190.1058  247.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6258  190.3398  246.7565 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3182  189.6902  248.8876 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6529  189.2441  250.0405 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2869  189.5243  249.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4072  189.3245  250.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3137  188.6185  251.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6997  188.4240  251.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3530  187.8039  252.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6300  187.3472  253.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2533  187.5343  253.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6018  188.1765  252.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1962  189.2748  248.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  CHG  4  16   1  18  -1  19   1  21  -1
M  END
>  <CHROM.1>
-48.73859855,52.27295303,129.03263305,-12.85268009,0.63283819,210.97417752
191.10920443,249.84402175,0.22273193,-0.40524845,1.71967511

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444058/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.04998

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297143

>  <SCORE.INTRA>
-3.35002

>  <SCORE.INTRA.DIHEDRAL>
-5.15952

>  <SCORE.INTRA.DIHEDRAL.0>
18.2794

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0332723

>  <SCORE.INTRA.REPUL.0>
0.0332723

>  <SCORE.INTRA.VDW>
-0.603899

>  <SCORE.INTRA.VDW.0>
-0.543715

>  <SCORE.INTRA.norm>
-0.0957148

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.201428

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000058

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  217.9152  192.8822  238.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9779  191.7136  239.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3119  191.4955  240.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4865  190.4802  241.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6784  189.6626  241.4465 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9298  190.3348  241.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3175  189.1060  242.4016 P   0  0  0  0  0  0  0  0  0  0  0  0
  222.0469  188.2319  240.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1823  187.3399  240.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6536  186.5083  239.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9944  186.5506  238.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8456  187.4733  239.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3696  188.3318  240.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3278  190.2504  243.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7188  190.3753  243.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3812  191.1652  244.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6653  191.8253  245.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2793  191.7180  245.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6146  190.9436  244.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7507  187.7330  243.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8523  187.3898  244.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2118  186.4642  245.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4589  185.8383  245.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3589  186.1517  244.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0096  187.0972  243.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8514  191.2724  240.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5979  192.0155  240.3158 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  3  0  0  0  0
M  END
>  <CHROM.1>
-179.83001303,3.78144753,-178.29634174,-93.86152272,-100.19754090,161.25429906
221.61128516,189.31125527,242.13869076,3.07308179,1.05039764,-2.41326822

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444060/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87569

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-5.52431

>  <SCORE.INTRA.DIHEDRAL>
-11.9398

>  <SCORE.INTRA.DIHEDRAL.0>
29.5243

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.445577

>  <SCORE.INTRA.VDW.0>
-4.99382

>  <SCORE.INTRA.norm>
-0.204604

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.217618

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000449

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  196.6562  213.7339  241.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9270  212.6837  242.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1686  211.7564  242.4686 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1762  212.9173  242.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6009  211.9847  243.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6715  212.4052  245.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1003  211.5281  246.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3348  210.1852  245.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2078  209.7164  244.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4367  208.3719  244.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3542  207.9532  242.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0417  208.8691  241.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7896  210.2010  242.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8537  210.6445  243.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8999  209.3024  246.7178 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2382  209.0769  247.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1796  209.5816  248.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0819  208.1748  248.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3717  212.0789  247.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6310  212.5478  248.4093 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  3  0  0  0  0
M  END
>  <CHROM.1>
-178.20132323,-110.69947594,59.79416714,-0.22888947,198.70317622,210.69648349
244.78088202,2.52725481,1.19607224,-2.11920776

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444061/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.51934

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-1.88066

>  <SCORE.INTRA.DIHEDRAL>
-2.14366

>  <SCORE.INTRA.DIHEDRAL.0>
9.4913

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.808828

>  <SCORE.INTRA.VDW.0>
-1.15558

>  <SCORE.INTRA.norm>
-0.0940329

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.375967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000978

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  195.0477  202.6703  249.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6254  203.6404  248.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0346  204.8706  249.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8822  205.1101  250.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2922  204.1441  251.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8719  202.9260  250.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0686  204.4671  252.9255 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.6009  205.8979  248.2748 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7829  205.9035  246.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4298  204.9921  246.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3970  207.1147  246.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8391  208.2042  247.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3972  209.2280  246.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3569  208.8955  244.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6536  207.3586  244.6797 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.8324  206.7637  248.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
3.49344332,2.25961229,196.44829452,205.71199330,248.33524089,2.54343631,1.13946989
1.20289004

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444062/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.05784

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.342163

>  <SCORE.INTRA.DIHEDRAL>
-0.480858

>  <SCORE.INTRA.DIHEDRAL.0>
0.523903

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.101734

>  <SCORE.INTRA.VDW.0>
0.00139767

>  <SCORE.INTRA.norm>
-0.0228109

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.470522

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000848

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  216.4715  184.5077  258.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3893  183.5000  257.8372 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3322  184.1337  256.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9035  184.4289  255.5833 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5248  183.2661  254.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5130  182.5305  255.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9485  182.2900  257.1919 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1490  181.0237  257.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7462  180.1338  257.1402 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6888  180.6748  259.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9328  181.5311  259.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6311  181.1661  261.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9674  179.9135  261.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6089  179.0004  260.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9766  179.3832  259.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0091  182.0459  262.0285 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.7604  185.7157  255.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1920  186.5966  255.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4141  186.0066  253.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9090  187.0249  253.8867 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.9795  185.9268  254.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3492  186.0674  255.9638 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0678  184.9577  256.3166 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1695  184.1556  255.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4278  184.7102  254.2122 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2299  184.1554  252.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1508  184.9923  251.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7683  184.4710  250.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5395  183.1049  250.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6546  182.2619  251.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9928  182.7840  252.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1509  182.6904  249.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0265  181.7316  248.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0162  182.9458  255.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5426  182.4226  254.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2994  181.2482  254.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6231  180.6084  255.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1509  181.1481  256.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3493  182.2992  256.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5212  179.4066  255.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 40  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <CHROM.1>
5.38346971,-105.62747630,67.39409286,-109.89088097,-153.70498704,32.81972998
121.12646193,217.23347179,183.06740821,255.59369201,2.00606753,-0.70849263
2.17114376

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444063/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.01438

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.31

>  <SCORE.INTRA>
-5.38562

>  <SCORE.INTRA.DIHEDRAL>
-2.78926

>  <SCORE.INTRA.DIHEDRAL.0>
17.7488

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.99099

>  <SCORE.INTRA.VDW.0>
-0.944547

>  <SCORE.INTRA.norm>
-0.13464

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.17536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000155

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  191.8140  218.5985  255.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9293  218.7406  256.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6558  217.9298  257.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4293  216.7131  257.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9307  216.8947  257.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4793  218.0226  256.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6993  219.1486  257.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7545  217.7076  255.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1645  219.8910  257.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <CHROM.1>
114.82842327,-62.73596394,99.62085394,193.67128910,218.20688250,256.81313843
-2.99123326,-0.27468129,2.45919926

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444064/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12119

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-1.27881

>  <SCORE.INTRA.DIHEDRAL>
-0.9513

>  <SCORE.INTRA.DIHEDRAL.0>
2.55911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.803164

>  <SCORE.INTRA.VDW.0>
-0.0425813

>  <SCORE.INTRA.norm>
-0.142091

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.791243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020564

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 41  0  0  0  0  0  0  0  0999 V2000
  219.9668  188.0377  256.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2183  186.7213  256.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0825  186.1784  254.9028 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.2828  184.8644  254.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9205  183.7313  255.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3664  187.2404  253.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8632  187.4837  254.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0758  188.0693  253.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1230  187.2033  251.8791 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1964  187.1473  251.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2591  187.7545  251.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9674  186.1994  249.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9106  185.5978  249.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9944  186.2099  248.9175 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9066  185.4903  247.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2205  186.2978  246.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7412  186.5694  246.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0426  187.6253  245.9304 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.1177  187.1104  244.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5136  187.9938  243.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5875  187.8162  246.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6801  186.6013  246.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8275  188.9898  246.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2068  189.3077  247.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5540  189.4663  247.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8918  189.9638  249.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8893  190.2747  250.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5562  190.0309  249.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2197  189.5290  248.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2911  190.9826  251.6396 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.5010  185.9606  254.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6414  185.7743  252.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0441  184.6606  252.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2245  184.3936  250.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0079  185.2410  250.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5767  186.3740  250.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3971  186.6379  251.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3085  184.8711  248.3845 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.3048  186.6227  251.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.8812  186.5928  249.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
M  CHG  2   3   1  18   1
M  END
>  <CHROM.1>
-178.96866841,-61.98239170,-71.76110786,-164.40518651,-156.85301482,60.54541472
-79.63531948,1.16588446,86.48867835,-65.75815442,168.58445358,59.92949242
-179.24723634,-65.61414986,-41.04477016,119.83531609,-63.11096367,217.72260978
187.15687555,250.29985582,0.88156423,-0.75113361,1.26690394

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444065/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.8952

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.589474

>  <SCORE.INTRA>
-9.50479

>  <SCORE.INTRA.DIHEDRAL>
-7.97994

>  <SCORE.INTRA.DIHEDRAL.0>
16.2129

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.51482

>  <SCORE.INTRA.VDW.0>
3.07026

>  <SCORE.INTRA.norm>
-0.250126

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.339348

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 12  0  0  0  0  0  0  0  0999 V2000
  214.4721  188.0479  243.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0120  189.3604  243.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1406  190.0450  244.7866 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.8232  191.3518  245.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0543  192.0359  246.2168 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6748  191.3351  246.6760 P   0  0  2  0  0  0  0  0  0  0  0  0
  211.6329  192.2448  248.0105 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.1941  189.8477  247.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9454  189.1707  246.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9722  191.0824  245.2444 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7448  190.4181  244.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.91819940,213.25201044,190.70133173,245.84221820,1.01166411,-0.50318260
-2.52996424

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444066/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39993

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-6.59253e-05

>  <SCORE.INTRA.DIHEDRAL>
-0.000250064

>  <SCORE.INTRA.DIHEDRAL.0>
0.00274746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
5.91066e-05

>  <SCORE.INTRA.VDW.0>
1.09283

>  <SCORE.INTRA.norm>
-5.99321e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581812

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.058128

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  191.9428  214.4865  253.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5327  215.8486  253.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5188  216.8365  253.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0088  218.1469  253.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9321  219.2313  253.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0539  220.2583  252.4787 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2568  220.2533  251.7745 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6740  219.1182  254.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6194  220.0339  253.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5151  220.0113  254.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4346  219.0167  255.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4310  218.0404  255.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5656  218.1219  255.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2588  217.0712  256.8258 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0706  215.9541  256.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9498  215.0598  255.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7737  213.9318  255.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7395  213.6844  256.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8589  214.5845  257.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0502  215.7215  257.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6669  212.4963  256.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3419  211.6247  255.5784 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.9555  212.8684  256.3361 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.6905  211.7665  257.7200 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.7918  215.3142  254.4943 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.5695  220.9746  252.8437 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.4306  220.4972  251.7088 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5621  222.1798  253.1320 O   0  5  0  0  0  0  0  0  0  0  0  0
  192.8241  220.8287  252.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 29  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  CHG  2  26   1  28  -1
M  END
>  <CHROM.1>
-179.53363676,-178.36869966,-124.56418877,-177.84980479,-96.20627248,169.05404081
-66.62611593,-8.88894236,190.05935764,216.71426991,254.80607499,-1.30043541
0.53529558,-0.56130703

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444067/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.9532

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-3.4468

>  <SCORE.INTRA.DIHEDRAL>
-4.6327

>  <SCORE.INTRA.DIHEDRAL.0>
11.2329

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13045

>  <SCORE.INTRA.VDW.0>
-2.22594

>  <SCORE.INTRA.norm>
-0.1231

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.319757

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000060

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  198.1969  222.3744  250.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9588  221.9639  252.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9666  222.9295  253.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7506  222.5581  254.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5221  221.2162  254.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5033  220.2526  253.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7253  220.6268  252.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2950  220.9179  256.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3889  221.8662  257.1929 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0407  219.5975  256.7666 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7838  219.1245  258.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6195  217.7927  258.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3622  217.7058  259.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4265  218.9544  260.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6226  220.2030  259.3514 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.3403  219.2434  261.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6933  217.9836  262.7605 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8493  216.8058  262.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1122  216.4761  260.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2416  217.7180  262.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8917  218.9169  263.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4359  216.4815  263.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0665  217.5025  261.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7266  216.6934  257.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2628  215.5769  257.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3037  217.0216  256.2714 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7209  216.8852  256.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4422  217.9697  256.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1302  219.0922  256.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5834  219.7472  257.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1427  218.9884  258.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4483  217.9100  258.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1134  218.8676  256.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7233  216.9691  255.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  6  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-3.26918546,-175.06550147,-161.00054688,59.58091208,91.47593638,-74.02939767
-109.91477916,197.69862080,219.04562265,258.03081721,-0.33215126,1.50810304
0.74604815

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444068/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.92956

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-7.47044

>  <SCORE.INTRA.DIHEDRAL>
-2.86642

>  <SCORE.INTRA.DIHEDRAL.0>
6.41274

>  <SCORE.INTRA.POLAR>
-0.487105

>  <SCORE.INTRA.POLAR.0>
-0.113176

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.38108

>  <SCORE.INTRA.VDW.0>
0.36302

>  <SCORE.INTRA.norm>
-0.233451

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.154049

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  202.9756  194.5847  243.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4788  193.1536  243.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4839  192.7587  241.7973 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9048  191.4796  241.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2467  190.6785  242.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7443  191.1842  240.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9377  191.9066  239.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7255  189.6588  239.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4926  191.7704  239.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3029  191.4940  240.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0801  190.6026  241.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7941  190.3996  241.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7186  191.1022  241.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9219  192.0049  240.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2093  192.1977  239.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1419  190.8465  241.8971 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-179.56792318,1.08706607,77.39235442,-54.68040558,-1.86896787,201.55839413
191.56969483,241.17744409,0.05004558,0.13914492,0.88713101

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444069/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93049

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-3.46951

>  <SCORE.INTRA.DIHEDRAL>
-4.78789

>  <SCORE.INTRA.DIHEDRAL.0>
5.81182

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07557

>  <SCORE.INTRA.VDW.0>
2.06757

>  <SCORE.INTRA.norm>
-0.216844

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.433156

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001840

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  215.0142  199.8983  245.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7292  199.6279  244.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7667  200.4791  243.7008 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4072  198.3109  244.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0729  198.0907  243.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7416  196.8855  242.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7644  195.8737  243.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0705  196.0827  245.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4062  197.2981  245.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4418  194.6484  243.7226 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2919  194.3455  242.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6694  195.1316  241.7977 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8494  192.9356  242.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8576  192.5900  244.1329 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.6689  192.1437  245.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9946  191.5645  246.4557 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8199  191.2519  247.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8440  191.6481  246.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3066  192.2500  245.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3773  191.5777  246.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7401  191.1706  245.3343 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7240  192.1036  244.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3145  191.7021  243.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3722  192.5771  242.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8187  193.8477  242.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1954  194.2460  243.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1426  193.3728  244.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9030  194.9343  240.8051 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.3332  193.9520  244.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-179.47989512,8.46328763,-61.85874880,84.11506712,166.49573975,-138.65610291
-71.16660941,122.52402860,217.39457355,194.45701100,243.99555744,-3.13584080
1.20810969,-1.75576357

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444070/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.14084

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-8.25916

>  <SCORE.INTRA.DIHEDRAL>
0.478266

>  <SCORE.INTRA.DIHEDRAL.0>
7.34936

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.09829

>  <SCORE.INTRA.VDW.0>
-0.194917

>  <SCORE.INTRA.norm>
-0.29497

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.183601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  195.0715  225.6122  249.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3681  224.1253  249.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2348  223.4427  248.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5467  221.9488  248.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4096  221.2972  246.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7072  219.8287  246.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8162  218.8724  246.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1524  217.4719  246.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3149  216.4734  246.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6999  215.0198  246.3725 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.7543  214.2036  247.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1662  212.7525  247.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3808  211.7079  247.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7823  210.2811  247.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9533  209.4981  246.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1519  209.1313  245.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3316  208.3239  244.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0630  209.1177  243.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1590  210.1550  242.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7720  211.2599  243.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6349  211.5468  243.8474 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8540  211.9264  243.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6799  214.4948  245.0448 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6346  212.6449  244.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3420  214.9805  244.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.26722858,-179.76194086,-179.87748958,118.74660132,-179.33840101,123.17777976
-179.75746137,61.81551317,-123.32811609,-114.96205489,107.12731163,115.61597808
-75.86427518,67.45413369,-119.70742901,-179.61590223,194.83623698,215.17230426
246.12531135,1.47873660,1.15873395,0.35635889

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444071/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.8335

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.843478

>  <SCORE.INTRA>
-6.56651

>  <SCORE.INTRA.DIHEDRAL>
1.31073

>  <SCORE.INTRA.DIHEDRAL.0>
1.37954

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.82187

>  <SCORE.INTRA.VDW.0>
-0.183577

>  <SCORE.INTRA.norm>
-0.2855

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.557978

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 26  0  0  0  0  0  0  0  0999 V2000
  194.2180  213.1016  247.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7693  211.9935  248.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2162  212.5716  250.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7657  211.4606  251.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2161  212.0478  252.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7769  210.9361  253.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2273  211.5240  254.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7844  210.4109  255.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2444  211.0057  256.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8050  209.9036  257.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2926  210.5199  259.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7765  209.4371  259.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2337  210.0568  261.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3834  210.5198  262.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6149  211.8093  262.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8157  212.2859  263.1455 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8440  213.1009  262.2824 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1284  213.4050  263.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8655  214.1653  264.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2052  212.4116  261.0211 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5589  213.0907  259.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6033  214.3021  259.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8843  212.1880  258.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2971  213.0336  264.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7107  214.3123  264.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3314  211.4110  261.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0488  213.4458  264.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  1  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
179.99949594,179.96994734,-179.57903113,-179.94236055,179.78488336,179.67154631
-179.69405116,178.96073870,176.84474143,-178.71215187,-73.43880665,114.84018086
110.80185120,-172.94760983,-173.38838096,-59.58267467,150.00101871,179.50958251
191.47307588,211.92765617,257.94231714,-1.35521709,0.71997782,1.39480474

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444072/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.9347

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.891667

>  <SCORE.INTRA>
-3.46526

>  <SCORE.INTRA.DIHEDRAL>
-0.439823

>  <SCORE.INTRA.DIHEDRAL.0>
2.82788

>  <SCORE.INTRA.POLAR>
-0.779728

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.594272

>  <SCORE.INTRA.VDW.0>
-3.41937

>  <SCORE.INTRA.norm>
-0.144386

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.747281

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008446

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 65 75  0  0  0  0  0  0  0  0999 V2000
  225.4370  185.2903  234.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3142  184.9440  236.1814 C   0  0  1  0  0  0  0  0  0  0  0  0
  227.7761  185.0443  235.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5159  184.1018  236.7133 C   0  0  2  0  0  0  0  0  0  0  0  0
  228.9673  184.6247  238.0822 C   0  0  2  0  0  0  0  0  0  0  0  0
  229.7148  183.4941  238.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.9160  183.0839  237.9449 C   0  0  2  0  0  0  0  0  0  0  0  0
  230.3282  182.6325  236.5925 C   0  0  2  0  0  0  0  0  0  0  0  0
  229.6165  183.6558  235.9422 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.4649  181.3114  236.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.1504  180.3275  237.7776 C   0  0  1  0  0  0  0  0  0  0  0  0
  231.5877  180.7573  237.7602 C   0  0  1  0  0  0  0  0  0  0  0  0
  231.7137  182.0199  238.4278 O   0  0  0  0  0  0  0  0  0  0  0  0
  232.4173  179.9382  238.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.9012  179.7456  239.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.5318  180.2714  240.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2139  180.5558  241.3517 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.6583  180.4224  239.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
  233.7987  179.7357  238.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.9100  184.2587  238.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0395  185.1479  238.9928 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.6449  185.0847  238.7902 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.1516  185.7587  237.4764 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.8629  186.2878  237.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.9721  186.0025  238.4935 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.1330  186.7658  239.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0710  186.2188  240.9112 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.8468  185.8566  240.0587 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.4652  187.2723  239.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1133  188.0692  240.7945 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.7877  187.7944  242.1948 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.0429  187.1759  241.9314 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9155  186.7640  243.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3705  186.5794  242.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3683  187.1154  242.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3590  188.3888  241.3464 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.1576  189.2331  240.2079 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.5911  189.3503  240.5157 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6887  190.7217  240.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2334  191.3979  241.4275 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.8215  190.3502  242.4131 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.2802  189.1799  241.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0428  190.0292  243.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4174  191.0502  244.2893 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.2786  192.3954  243.5795 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1444  192.3116  242.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1086  193.1887  244.2735 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.2354  192.4946  245.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3071  190.9884  245.3738 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.6893  190.7158  245.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4548  190.0656  246.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6783  188.5997  246.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2249  187.8658  247.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1280  187.9564  244.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5948  188.5815  244.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6058  194.3804  244.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6979  193.0522  243.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2980  188.9189  243.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2639  184.7289  239.2609 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6112  184.5668  238.8235 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.6248  183.9334  239.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0377  183.7539  239.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3745  183.5119  237.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5198  185.1657  240.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9170  194.9645  244.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 23  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
 11 10  1  6  0  0  0
 11 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 62  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 60  1  0  0  0  0
 25 26  1  1  0  0  0
 27 26  1  6  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  0  0  0  0
 28 64  1  1  0  0  0
 30 29  1  6  0  0  0
 30 38  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 58  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 35  1  1  0  0  0
 36 42  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 40 39  1  6  0  0  0
 40 46  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  6  0  0  0
 44 43  1  6  0  0  0
 44 50  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45 57  1  1  0  0  0
 47 48  1  0  0  0  0
 47 56  1  1  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  1  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 55  2  0  0  0  0
 56 65  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 63  1  6  0  0  0
 61 62  1  0  0  0  0
M  END
>  <CHROM.1>
66.13811154,-178.85796890,111.98289350,4.50115076,223.56276256,186.45209924
240.61109767,0.04905219,0.69935448,-1.03835833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444073/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.9857

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.13125

>  <SCORE.INTRA>
-2.4143

>  <SCORE.INTRA.DIHEDRAL>
-1.2198

>  <SCORE.INTRA.DIHEDRAL.0>
3.13098

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.8044

>  <SCORE.INTRA.VDW.0>
-0.326979

>  <SCORE.INTRA.norm>
-0.0377235

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
64

>  <SCORE.norm>
0.0935265

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.137081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 16  0  0  0  0  0  0  0  0999 V2000
  207.2168  182.6865  246.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5662  183.4555  248.0344 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.8895  184.2125  247.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0257  183.2211  247.5029 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.6563  182.4468  246.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3352  181.6828  246.4182 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4994  180.6952  247.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8575  181.4565  248.8790 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.7190  182.4497  249.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1905  182.2131  248.6677 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.6238  182.8565  249.9032 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9163  182.8299  250.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8507  182.2537  249.8131 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9834  183.4660  250.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
-101.16613534,209.44984109,182.50032575,248.26809710,2.58478812,0.24280853
-1.99462065

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444082/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37091

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.0290935

>  <SCORE.INTRA.DIHEDRAL>
0.0890438

>  <SCORE.INTRA.DIHEDRAL.0>
0.917613

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0736155

>  <SCORE.INTRA.VDW.0>
-0.827447

>  <SCORE.INTRA.norm>
-0.00223796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.49007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001776

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  199.9682  198.4667  242.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1247  199.1901  243.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6622  199.2695  243.3312 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9200  200.3354  243.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4102  201.6154  244.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6005  202.5080  244.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3415  202.0959  245.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8806  200.7976  245.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6444  199.9061  244.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4901  198.3686  244.1291 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.8211  198.1057  243.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1899  197.0407  242.7341 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8209  197.5671  245.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9665  196.2338  245.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2697  195.6126  244.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1857  196.3129  243.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0819  195.5470  243.6830 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9562  196.2240  243.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8207  197.5539  243.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9667  198.2447  243.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2234  197.7035  243.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7335  199.5712  243.6441 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8539  195.4902  243.9133 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9898  195.4536  245.7756 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9242  198.3599  246.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8394  199.0175  246.7061 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7577  199.5819  243.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2810  194.6180  243.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9016  195.9100  245.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0377  194.5883  245.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  1  0  0  0
 10 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  3  0  0  0  0
M  END
>  <CHROM.1>
-153.11693469,-41.18347094,-5.37895808,-3.52172616,195.50937710,198.26011020
244.20866816,-0.61256935,0.03693581,-3.08257731

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444083/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.68102

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.718976

>  <SCORE.INTRA.DIHEDRAL>
-1.78291

>  <SCORE.INTRA.DIHEDRAL.0>
2.73522

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.172482

>  <SCORE.INTRA.VDW.0>
-1.11201

>  <SCORE.INTRA.norm>
-0.0276529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.256962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  195.9864  219.5253  240.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7638  218.8337  241.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7033  218.9388  243.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9770  218.3967  243.6892 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.1196  217.4370  243.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1883  219.1738  243.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2521  219.0051  241.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9771  218.4390  245.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2452  217.2764  246.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5688  217.3599  247.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0423  216.2557  248.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5128  215.0411  247.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8545  214.8264  246.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7119  215.9498  245.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8722  215.7817  244.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0257  213.5325  245.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8099  212.4521  246.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5331  212.6470  248.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4086  213.9504  248.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9940  214.1882  250.4698 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.7204  210.7126  246.0598 Br  0  0  0  0  0  0  0  0  0  0  0  0
  193.7116  217.3985  245.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6459  216.5450  246.4294 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.9674  216.3557  247.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3838  217.4168  246.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1064  216.6447  246.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9154  215.4650  245.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0736  214.5304  246.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3654  215.2003  245.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  CHG  2   4   1  23   1
M  END
>  <CHROM.1>
81.97478073,169.82550673,-170.86592736,30.70532472,194.80866334,215.20769636
246.35508737,-1.54219476,-0.87642185,2.45006985

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444084/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.73123

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-1.66877

>  <SCORE.INTRA.DIHEDRAL>
3.07146

>  <SCORE.INTRA.DIHEDRAL.0>
0.597146

>  <SCORE.INTRA.POLAR>
-0.918947

>  <SCORE.INTRA.POLAR.0>
-0.06592

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0800787

>  <SCORE.INTRA.VDW.0>
-3.79342

>  <SCORE.INTRA.norm>
-0.0618062

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.286342

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000110

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  186.9764  214.7869  259.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5270  213.8473  258.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2964  214.1099  256.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3054  214.6961  255.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0826  215.0536  254.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8424  214.7590  254.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8391  214.1054  254.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0568  213.7652  256.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0282  213.1155  256.8126 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2505  211.9172  257.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7148  213.9156  254.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4373  214.2153  254.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1062  215.8456  253.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0287  216.3249  252.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1509  217.1748  252.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0986  217.4406  252.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9521  217.6408  250.9331 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8356  218.4832  250.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4325  218.9265  248.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2404  219.8051  248.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4705  220.2272  248.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8898  219.7594  249.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0749  218.8946  250.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5099  221.3193  247.8813 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.6505  220.3413  246.6753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.0648  217.4388  250.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
100.81758559,-176.74395606,-134.34160635,-49.89922430,-1.19206539,-176.11748436
189.03371809,216.83750816,252.52358976,-2.14591179,-0.42399810,-1.16634574

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444085/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.80596

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-4.59404

>  <SCORE.INTRA.DIHEDRAL>
4.98989

>  <SCORE.INTRA.DIHEDRAL.0>
4.9632

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.08899

>  <SCORE.INTRA.VDW.0>
7.52429

>  <SCORE.INTRA.norm>
-0.183762

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.272238

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  214.0575  192.2797  241.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6145  192.3215  240.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9006  193.5507  241.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4423  192.1824  238.7866 Si  0  0  0  0  0  0  0  0  0  0  0  0
  210.5448  192.3422  238.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2619  192.2118  236.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6389  191.3618  239.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4906  193.6487  237.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0793  195.0606  238.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0028  193.4510  238.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1180  190.7191  238.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4720  189.4793  238.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3892  189.2755  240.0978 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.7110  187.9840  240.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6286  187.5784  240.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4614  187.3150  241.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8699  187.8279  241.2524 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7004  189.1496  240.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8379  187.9204  242.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5613  188.6920  243.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5043  188.6089  244.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6734  187.8121  244.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9278  187.1138  243.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0388  187.1821  242.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5167  187.7785  245.6795 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8832  188.1142  245.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2746  189.3257  245.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1526  190.1299  246.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1918  190.2649  245.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4209  189.5507  243.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4610  189.6940  242.8430 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2745  190.4088  242.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4711  190.4328  242.0044 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0479  191.1520  244.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8758  191.9238  244.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6179  192.6485  245.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5314  192.6069  246.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6965  191.8417  246.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9828  191.0921  245.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 30  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 39  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <CHROM.1>
-177.19697774,-178.30259390,-58.31898762,71.24051797,-63.08314100,179.76559864
-56.99821318,-125.56668656,213.03645076,190.38653474,241.97601517,-2.20949580
-0.68206050,1.66170692

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444086/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.38956

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.34359

>  <SCORE.INTRA>
-4.01044

>  <SCORE.INTRA.DIHEDRAL>
2.84173

>  <SCORE.INTRA.DIHEDRAL.0>
1.43948

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.4313

>  <SCORE.INTRA.VDW.0>
-1.06606

>  <SCORE.INTRA.norm>
-0.102832

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.240758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  206.8624  203.4947  246.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1608  202.2466  245.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7230  201.0613  246.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3302  201.1308  246.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9913  202.4011  247.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4196  203.6505  246.8266 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5700  203.9228  245.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3704  204.7757  246.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2901  204.0431  246.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6699  202.9955  246.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1498  201.6147  245.9227 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.7843  201.1558  244.5055 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5187  201.9241  244.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5824  201.6099  243.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5956  203.1990  245.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8609  204.1556  245.0610 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8549  201.6325  243.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7034  202.6563  242.8753 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0865  200.8780  243.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2769  201.1211  242.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1766  200.0931  243.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5190  199.7808  242.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0748  198.6332  243.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3100  197.8033  244.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9723  198.0993  244.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4577  199.2573  244.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1998  199.7412  244.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5540  200.7143  247.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3805  199.7891  247.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8517  198.8974  248.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4897  198.9187  248.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6595  199.8412  248.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1872  200.7339  247.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-149.15109412,-73.30001591,-65.36882276,89.12178785,-138.10836436,-97.98762507
-173.43762349,203.59209155,201.33240540,245.45992833,-0.20247042,0.35168355
-0.22064334

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444087/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32053

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-5.07947

>  <SCORE.INTRA.DIHEDRAL>
2.39824

>  <SCORE.INTRA.DIHEDRAL.0>
4.6344

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.27859

>  <SCORE.INTRA.VDW.0>
-1.71779

>  <SCORE.INTRA.norm>
-0.153923

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.221834

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000808

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 36  0  0  0  0  0  0  0  0999 V2000
  186.9080  217.8206  247.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6085  217.6999  249.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8121  216.7727  249.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5047  216.6349  250.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7104  215.7159  250.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4041  215.5842  251.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6139  214.6750  251.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2942  214.5302  252.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5088  213.6292  252.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1914  213.4897  254.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4129  212.5990  254.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1006  212.4619  255.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3178  211.5645  255.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0048  211.4156  256.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2219  210.5139  256.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8501  210.3562  257.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0192  209.4058  257.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4865  208.0246  257.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0580  207.2065  258.2586 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4819  207.8450  256.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8667  206.6949  255.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6918  205.7400  254.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0704  204.7093  254.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6680  204.6101  254.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8606  205.5264  254.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4492  206.5713  255.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5083  207.5399  256.0176 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.3779  207.6218  257.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8515  208.1866  255.1855 O   0  5  0  0  0  0  0  0  0  0  0  0
  199.0451  203.4731  253.4106 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.7818  202.6499  252.8756 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7970  203.4187  253.4100 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.2296  205.6543  255.0022 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.9524  206.7453  254.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7387  205.6400  256.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2784  204.4526  257.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  4  27   1  29  -1  30   1  32  -1
M  END
>  <CHROM.1>
-179.20728840,-179.57162175,179.75888988,-179.55721580,-179.24132342,-179.61041804
179.77360870,-179.48688744,179.78594381,179.72818420,-179.63587813,179.80922029
-178.16534100,176.47129369,-66.07044855,-87.17342498,-172.04631652,-113.70879013
-74.02672391,62.21723384,197.62098453,209.65476210,254.30209006,2.65300898
-0.66530922,0.38747653

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444088/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.7751

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.705556

>  <SCORE.INTRA>
-8.62491

>  <SCORE.INTRA.DIHEDRAL>
-13.1151

>  <SCORE.INTRA.DIHEDRAL.0>
20.683

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.06736

>  <SCORE.INTRA.VDW.0>
-4.20464

>  <SCORE.INTRA.norm>
-0.239581

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.465975

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000027

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  212.4478  182.5091  235.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3720  182.0484  237.3226 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7507  181.5565  237.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6968  182.6629  237.9304 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2294  183.7415  238.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8202  184.2365  238.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8584  183.1406  238.1812 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5540  183.2881  238.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2464  184.2417  239.3942 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4723  182.2795  238.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6515  181.1132  237.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6135  180.1906  237.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3603  180.4743  238.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1260  181.6661  238.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1813  182.5646  238.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3635  179.5959  237.8652 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.9153  182.5800  237.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2202  181.5770  236.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8736  183.7627  237.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8727  183.6673  238.8257 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.5955  182.0947  238.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7409  181.8869  238.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9958  180.5441  238.0818 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0156  179.9467  238.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0336  180.8838  239.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7627  180.6055  239.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0246  179.4601  239.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7491  179.2705  239.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1919  180.2193  240.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9158  181.3646  241.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2057  181.5320  240.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9350  179.9500  241.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9589  180.9396  240.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0415  178.5476  239.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8485  177.5335  238.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5857  176.3655  239.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5832  176.7031  240.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2400  178.0073  240.0386 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 34 38  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
-0.36565604,84.69981908,56.34672620,89.32507996,-16.11596435,143.07203539
-121.36821668,214.38558039,181.22199506,238.74977421,-2.95435294,0.00996250
2.85827641

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444089/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79038

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.326316

>  <SCORE.INTRA>
-6.60962

>  <SCORE.INTRA.DIHEDRAL>
-2.14779

>  <SCORE.INTRA.DIHEDRAL.0>
16.1608

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.53572

>  <SCORE.INTRA.VDW.0>
-0.591109

>  <SCORE.INTRA.norm>
-0.173937

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.152379

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000310

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  191.8098  208.2102  254.5873 B   0  0  0  0  0  0  0  0  0  0  0  0
  191.1256  206.9227  255.3793 B   0  0  0  0  0  0  0  0  0  0  0  0
  189.8517  206.1076  254.6968 B   0  0  0  0  0  0  0  0  0  0  0  0
  191.2226  208.7486  253.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8865  208.5911  254.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5466  206.5854  256.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1712  205.4057  255.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6221  206.2270  253.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
>  <CHROM.1>
17.90475555,-162.78265486,190.92376555,207.08439239,254.87458883,0.47896876
-0.68482966,-0.94229274

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444098/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39596

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
2.46667

>  <SCORE.INTRA>
-0.00403989

>  <SCORE.INTRA.DIHEDRAL>
-2.13428e-09

>  <SCORE.INTRA.DIHEDRAL.0>
1.6

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00403989

>  <SCORE.INTRA.VDW.0>
-0.457293

>  <SCORE.INTRA.norm>
-0.00134663

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
3

>  <SCORE.norm>
2.46532

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.181794

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 51 54  0  0  0  0  0  0  0  0999 V2000
  209.2181  208.4029  244.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0612  207.1553  244.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2759  205.9041  244.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2165  207.0824  242.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4154  207.2544  244.9042 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6560  207.3585  246.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7460  207.2729  247.0803 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1225  207.5554  246.7523 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.5113  208.9884  246.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9968  209.1368  246.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4947  207.7167  246.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3690  206.8495  246.3967 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5089  205.4627  246.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4571  204.7683  247.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5707  204.8691  244.9036 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5000  203.3243  244.7482 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9368  202.7122  244.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1333  201.1999  244.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1965  200.5552  243.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4168  199.1774  243.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5936  198.4196  244.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5088  199.0335  245.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2476  200.4035  246.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5053  202.6707  245.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1771  203.0592  245.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7132  203.9496  244.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3045  202.2510  246.6738 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.4706  202.8240  248.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1683  204.3028  248.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0319  205.1457  248.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8779  204.6663  247.8939 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9007  202.2856  246.2614 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9478  201.3917  246.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2766  200.3307  247.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5757  201.8162  246.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0288  202.9786  246.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6111  202.9134  246.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5635  203.7933  245.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2434  203.4327  246.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9641  202.2171  246.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9897  201.3286  247.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3074  201.7043  246.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5046  201.0571  246.9625 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5703  205.4927  244.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2264  207.0480  244.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8104  201.9770  246.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.1148  204.0136  247.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6532  205.6508  247.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5908  203.0965  245.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5999  200.1613  247.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7010  205.1272  244.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  6  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  1  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
 32 33  1  0  0  0  0
 32 49  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 43  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 50  1  0  0  0  0
 44 51  1  0  0  0  0
M  END
>  <CHROM.1>
60.52751240,69.71964410,-67.82216497,-170.54017644,-84.59245464,-75.19273027
176.20292442,52.65601246,80.98227837,83.15312340,54.94101601,161.72538740
-112.30879691,-0.93513505,211.34580519,203.94608973,245.96872322,3.07648128
-0.10018638,-3.13352008

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444099/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.11606

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.418182

>  <SCORE.INTRA>
-15.2839

>  <SCORE.INTRA.DIHEDRAL>
-7.17012

>  <SCORE.INTRA.DIHEDRAL.0>
19.0315

>  <SCORE.INTRA.POLAR>
-1.32245

>  <SCORE.INTRA.POLAR.0>
-0.609848

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.20255

>  <SCORE.INTRA.VDW.0>
-3.97449

>  <SCORE.INTRA.norm>
-0.347362

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.0708195

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002007

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  191.5785  224.7304  256.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1475  224.6176  255.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1115  224.0897  254.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6994  223.9775  253.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4560  223.3345  251.8275 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.3312  221.6762  252.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0709  221.2050  253.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3102  221.0261  251.7384 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9681  219.7067  251.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0170  219.0855  251.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6942  217.7594  251.4155 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7767  217.0685  250.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1157  217.5096  249.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6710  215.4001  251.1954 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.6086  214.7059  249.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3628  214.6399  248.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4791  214.0771  247.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2151  214.0117  246.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8144  221.5735  251.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.1594  217.2236  252.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.83860962,179.51951362,-69.87434298,-7.52180043,-171.99646427,69.71616634
-179.21264168,179.77271461,188.63733655,219.36761167,251.49864880,0.37955686
1.06570696,1.67708448

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444100/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.93

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.744444

>  <SCORE.INTRA>
-0.470031

>  <SCORE.INTRA.DIHEDRAL>
-0.794816

>  <SCORE.INTRA.DIHEDRAL.0>
1.24807

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0726232

>  <SCORE.INTRA.VDW.0>
-0.639226

>  <SCORE.INTRA.norm>
-0.0261129

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.718332

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007180

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  192.7612  221.1729  250.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4257  219.8282  250.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9414  219.9623  250.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6114  218.6152  250.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1240  218.7590  250.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7938  217.4134  250.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3073  217.5594  250.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9739  216.2120  250.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4563  216.3425  250.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1900  215.6633  251.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6728  215.7975  251.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0875  216.2684  252.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6028  216.3681  252.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0176  216.8356  254.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5309  216.9335  254.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9470  217.3995  255.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4619  217.4999  255.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8879  217.9646  256.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4069  218.0684  257.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8271  218.5299  258.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3420  218.6543  258.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7009  219.1095  259.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1491  220.2047  260.2345 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4728  218.1618  260.8879 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6944  218.4331  261.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.89974301,-179.86464528,-179.96850170,179.91055173,-179.92634290,-179.49550192
120.32599237,121.50515083,178.50724577,-179.86754653,179.89482911,-179.92926188
-179.86013067,-179.95460481,-179.87982553,-179.81358707,-179.82030536,-179.78654394
-110.02191432,-179.85537006,204.50790709,217.91894821,253.92287241,2.81603455
0.35118907,-2.34644108

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444101/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
23.0042

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.01667

>  <SCORE.INTRA>
-1.39582

>  <SCORE.INTRA.DIHEDRAL>
0.123881

>  <SCORE.INTRA.DIHEDRAL.0>
1.09718

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.45776

>  <SCORE.INTRA.VDW.0>
-1.35286

>  <SCORE.INTRA.norm>
-0.0581592

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.958507

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026645

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  180.3893  208.9462  253.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7329  208.7725  254.1801 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.8884  208.6541  253.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3114  208.3060  253.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2561  208.5094  252.3677 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.6051  209.9754  252.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3489  210.6602  253.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4570  210.0567  250.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3805  210.6824  251.7609 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4814  207.8024  252.6292 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0102  210.0269  255.0636 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.2169  211.3819  254.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3589  212.1463  254.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0681  211.1108  255.7793 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.0243  210.0227  256.2870 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.9851  208.8618  256.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9375  209.3998  257.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9732  210.3231  257.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2504  211.5364  256.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7490  212.7820  256.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9798  213.0831  257.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5622  214.2810  257.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0048  215.5969  257.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6761  216.4491  258.3143 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.9196  216.6448  259.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5379  215.3071  259.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7631  214.4216  258.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9379  213.8177  258.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1480  217.7135  257.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0698  210.1111  257.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9031  210.2224  251.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.2350  206.8610  252.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.9188  218.1987  258.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11  2  1  6  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <CHROM.1>
-172.60449593,-64.52814450,-170.31910355,75.89668664,61.68416381,63.43816135
-57.31452708,-179.86893597,177.47542182,185.18434549,211.56128131,255.59035666
2.08288706,-0.41373899,-2.25338131

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444102/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.33665

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-10.0634

>  <SCORE.INTRA.DIHEDRAL>
-9.77736

>  <SCORE.INTRA.DIHEDRAL.0>
12.5626

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.17467

>  <SCORE.INTRA.VDW.0>
4.33481

>  <SCORE.INTRA.norm>
-0.335445

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0445549

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000825

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 18  0  0  0  0  0  0  0  0999 V2000
  208.9441  195.6798  238.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1809  194.4530  238.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8276  193.2521  238.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0486  191.9197  238.3125 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.6554  191.9435  238.9850 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7555  190.8752  238.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4938  189.5659  238.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7470  189.4013  238.9039 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7516  190.6242  238.8358 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.1372  190.7698  240.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7682  190.6362  240.9701 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.3343  189.2961  240.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7983  191.7606  240.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9206  191.7741  236.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2407  194.5545  238.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4464  192.5558  236.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-175.67550478,-62.27283102,-58.68641535,207.74115033,191.62677500,238.90042801
-1.08517681,1.00682960,2.40442251

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444103/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20701

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-1.19299

>  <SCORE.INTRA.DIHEDRAL>
-1.71099

>  <SCORE.INTRA.DIHEDRAL.0>
1.77467

>  <SCORE.INTRA.POLAR>
-0.014538

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.288062

>  <SCORE.INTRA.VDW.0>
-0.646572

>  <SCORE.INTRA.norm>
-0.0852133

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.443358

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000388

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  214.9708  193.8561  255.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8483  193.5055  256.4083 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8605  192.5626  256.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4543  191.1030  257.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9933  190.8961  257.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1077  191.8936  257.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4753  193.2770  256.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5604  189.5713  257.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2042  189.3292  258.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7840  188.0677  258.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7111  187.0425  258.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0636  187.2757  258.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4825  188.5324  258.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
179.33276333,213.92345649,190.62196300,257.40411282,1.26692148,0.13781827
-0.35526798

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444105/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.04675

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-4.35325

>  <SCORE.INTRA.DIHEDRAL>
-12.79

>  <SCORE.INTRA.DIHEDRAL.0>
12.7947

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.04175

>  <SCORE.INTRA.VDW.0>
-0.651179

>  <SCORE.INTRA.norm>
-0.334866

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.157442

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 50  0  0  0  0  0  0  0  0999 V2000
  197.1879  202.7205  244.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4572  202.0168  245.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7214  201.4757  245.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7513  201.6385  244.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4582  202.3337  243.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1847  202.8678  243.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1702  201.1509  244.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9568  201.5789  246.1600 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1882  203.1475  246.0850 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.7825  203.8539  247.3063 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.9539  203.5896  248.5913 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4326  202.3212  249.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3866  201.0952  248.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9968  200.1299  248.9930 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4970  201.0067  247.4728 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6521  199.7723  247.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4995  199.6991  248.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8436  200.8566  248.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6830  200.7773  249.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1732  199.5351  250.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9454  198.3970  249.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0964  198.4824  249.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8308  199.4496  250.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8740  199.9895  252.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7753  202.2350  250.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8210  201.3664  251.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1634  200.0966  251.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2552  199.3455  252.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9753  199.8397  252.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6194  201.0956  252.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5292  201.8468  251.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9952  199.0505  253.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1837  198.2341  252.9263 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0115  204.8315  249.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4538  206.1190  248.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3236  207.0477  248.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8378  208.2419  247.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4762  208.5251  247.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6037  207.6248  248.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0898  206.4337  249.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1631  203.5140  247.4794 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0443  203.8928  245.6436 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5063  199.4452  252.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7783  197.6222  252.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4963  204.0155  248.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2965  203.7721  246.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  6  0  0  0
  8 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  1  0  0  0
 10 11  1  0  0  0  0
 10 41  1  1  0  0  0
 11 12  1  0  0  0  0
 11 34  1  1  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 44  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 41 45  1  0  0  0  0
 42 46  1  0  0  0  0
M  END
>  <CHROM.1>
-54.06144958,-65.30175865,60.72517134,177.87918527,60.85021987,111.94077754
-138.58767438,26.75920858,-70.15554146,-61.87639021,107.44023248,-91.68884200
60.88818665,-95.98554585,200.27150781,202.04362444,248.69913973,1.07000309
-0.90736234,-1.14912489

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444106/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.31006

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.366667

>  <SCORE.INTRA>
-14.0899

>  <SCORE.INTRA.DIHEDRAL>
-9.42255

>  <SCORE.INTRA.DIHEDRAL.0>
18.7379

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.97867

>  <SCORE.INTRA.VDW.0>
-5.42085

>  <SCORE.INTRA.norm>
-0.335475

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.0311919

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.096960

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 46  0  0  0  0  0  0  0  0999 V2000
  209.6133  199.7840  240.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2515  198.5173  240.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9287  197.7380  239.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7457  196.6806  239.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8753  196.4437  241.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0779  197.0769  242.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2621  198.1331  241.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2085  196.5733  243.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3292  195.9127  244.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3915  195.9501  243.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5777  196.1075  243.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9912  195.7370  241.8021 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7515  195.0516  245.4356 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0505  195.4198  246.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9306  194.8838  247.1814 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6076  195.5408  248.3337 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5034  196.4704  248.6197 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4063  196.4377  247.6148 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2258  197.6263  247.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0540  198.4364  246.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7761  199.0102  245.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4614  199.6753  244.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4244  199.7745  243.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6938  199.2337  243.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0142  198.5604  245.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1230  200.3898  242.6000 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.9608  193.5630  245.3061 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8227  192.7728  244.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7260  192.4798  243.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9694  192.2730  242.5168 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2205  192.6979  243.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1871  193.0530  244.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8324  192.0521  241.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6991  191.9367  240.6354 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0003  191.9574  240.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0572  191.8470  238.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4132  191.7359  238.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1251  191.7659  239.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2779  191.8939  240.7258 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4496  195.8641  238.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7703  195.6953  241.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 40  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 41  1  0  0  0  0
 13  9  1  6  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 39  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <CHROM.1>
-28.97909032,91.22858321,-56.36452255,42.75825461,61.26116091,-174.63189748
212.56193652,195.66774294,243.18200284,2.48927639,-1.25190840,1.65221538

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444107/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.24202

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.285

>  <SCORE.INTRA>
-7.15798

>  <SCORE.INTRA.DIHEDRAL>
-1.41947

>  <SCORE.INTRA.DIHEDRAL.0>
6.43212

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.44825

>  <SCORE.INTRA.VDW.0>
-3.49234

>  <SCORE.INTRA.norm>
-0.17895

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.10605

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 62 67  0  0  0  0  0  0  0  0999 V2000
  209.9443  198.1099  244.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6474  197.0983  245.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4859  195.7910  245.3218 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6218  195.4788  244.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8786  196.4177  243.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0220  197.7623  244.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1747  198.8472  243.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3221  200.0080  243.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9976  198.5296  242.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5900  199.3369  241.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4106  199.0115  240.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6429  197.9697  241.2515 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.0107  197.2065  242.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1841  197.4716  242.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3527  197.6956  240.5967 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5108  196.6050  239.5291 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.0543  196.2194  239.3783 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6272  196.1895  240.8476 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3901  197.2060  241.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1608  196.4275  241.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7629  197.7749  240.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0542  198.0070  240.6160 P   0  0  1  0  0  0  0  0  0  0  0  0
  198.1874  199.5077  240.8497 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2110  197.6430  239.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3455  198.2390  240.4772 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4115  196.8736  240.0632 P   0  0  1  0  0  0  0  0  0  0  0  0
  194.0477  197.2681  239.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1756  196.1359  238.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3356  195.6246  241.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4665  194.8229  241.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5311  194.0062  240.6995 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.8190  192.8734  239.8901 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.6918  192.6133  238.6559 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3062  193.9867  238.3920 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2532  194.7528  239.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6380  193.9683  237.7854 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9168  194.3571  236.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1068  193.9705  236.1115 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7057  193.5235  237.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0234  193.0555  237.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4154  192.9016  238.7676 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5067  193.0987  239.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1757  193.3774  239.6424 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8403  193.5958  238.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9011  192.8109  236.4555 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6325  191.5649  238.8894 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5084  193.2810  239.4756 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4320  197.2362  238.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2931  195.5168  240.0453 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3891  200.4414  240.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5020  200.5509  239.7223 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8869  201.3842  241.7953 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9780  196.7107  238.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8181  195.2315  238.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8313  193.1713  236.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8358  191.8618  236.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1732  191.3943  238.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0858  192.5455  238.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1920  197.9957  239.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3200  194.7971  239.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9541  201.2992  242.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4681  202.1054  241.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 12  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  1  0  0  0
 17 18  1  0  0  0  0
 17 48  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  6  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  6  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  6  0  0  0
 31 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 47  1  6  0  0  0
 33 34  1  0  0  0  0
 33 46  1  1  0  0  0
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 36 44  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 44  1  0  0  0  0
 39 40  2  0  0  0  0
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 41 42  2  0  0  0  0
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 43 44  2  0  0  0  0
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 47 58  1  0  0  0  0
 48 59  1  0  0  0  0
 49 60  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 61  1  0  0  0  0
 52 62  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
2.60585900,-146.79593662,134.44163905,97.17962497,175.08580518,-82.33376187
-66.86749589,164.75786509,158.05321326,98.43685885,-45.09370247,-163.19977657
164.72726566,-61.04965313,-55.06534524,-63.48737912,-178.61198187,179.12130305
110.13798659,135.44283329,201.85167093,196.29884888,240.46923824,0.36211819
-0.16054768,0.49135461

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444108/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-13.4122

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.373077

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-19.7678

>  <SCORE.INTRA.DIHEDRAL.0>
43.7408

>  <SCORE.INTRA.POLAR>
-2.83305

>  <SCORE.INTRA.POLAR.0>
-0.971804

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-13.2959

>  <SCORE.INTRA.VDW.0>
2.10232

>  <SCORE.INTRA.norm>
-0.631005

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
-0.257928

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023070

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  205.8745  197.8415  246.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5208  197.6607  247.1380 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1381  196.1962  247.3757 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.9524  195.6091  248.5306 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8112  196.5012  249.7699 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.2492  197.9456  249.4259 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4448  198.4291  248.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0166  198.7649  250.5751 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6799  200.0491  250.5856 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.0145  201.1233  249.7113 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.5337  201.2364  250.0919 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3516  201.4993  251.6004 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.2407  200.7469  252.4614 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6009  200.6061  252.0309 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.2705  201.8440  252.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3716  202.9822  251.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3771  203.6713  251.2351 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8644  202.2309  249.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1814  200.8819  248.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4296  196.4509  250.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4808  194.2847  248.8109 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3188  195.4526  246.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1989  201.6571  251.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.2323  203.3067  251.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3006  203.0886  249.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7093  200.0448  248.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3505  197.0560  250.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5602  194.3927  249.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0453  194.5323  246.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  6  0  0  0
  4  5  1  0  0  0  0
  4 21  1  1  0  0  0
  5  6  1  0  0  0  0
  5 20  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  6  0  0  0
 12 13  1  0  0  0  0
 12 16  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
M  END
>  <CHROM.1>
-178.43353021,-65.01686533,-177.45948105,164.03188480,77.95185556,64.13407963
-60.00544273,-40.32821447,-61.71326732,-65.83635950,204.57001093,199.19355666
249.64394342,1.13890751,1.51371708,-2.19911043

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444109/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-9.02763

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-17.4276

>  <SCORE.INTRA.DIHEDRAL>
-23.2985

>  <SCORE.INTRA.DIHEDRAL.0>
28.0089

>  <SCORE.INTRA.POLAR>
-1.16158

>  <SCORE.INTRA.POLAR.0>
-1.32664

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.82903

>  <SCORE.INTRA.VDW.0>
0.304596

>  <SCORE.INTRA.norm>
-0.792165

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
-0.410347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001377

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  187.2630  207.1361  256.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2402  207.6103  257.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4613  208.2640  257.4762 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2470  209.6493  257.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2599  210.2038  256.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5431  208.1036  258.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5698  207.0176  258.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2785  207.3318  256.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3657  207.9010  256.7854 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5946  206.9487  255.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4238  206.1814  255.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7878  205.8815  254.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3181  206.3427  253.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4929  207.0937  253.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1353  207.3920  254.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
77.31032482,-157.59626512,102.17240124,61.12199069,95.98893307,-7.75658015
190.50707854,207.58306264,256.18095674,2.14216366,0.06042847,1.13646531

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444110/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.0652

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-5.3348

>  <SCORE.INTRA.DIHEDRAL>
0.914703

>  <SCORE.INTRA.DIHEDRAL.0>
4.31458

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.79215

>  <SCORE.INTRA.VDW.0>
4.20699

>  <SCORE.INTRA.norm>
-0.355653

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.404347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  190.3444  227.8751  248.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9979  226.7637  248.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3778  226.7495  250.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1036  227.8447  251.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4591  228.9639  250.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0782  228.9758  249.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5001  227.8213  252.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3895  227.4093  253.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1311  226.0534  253.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1080  225.6738  254.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3341  226.6440  255.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5827  227.9947  254.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6060  228.3763  254.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
-96.58468810,84.79151030,190.15577132,227.47297188,252.02541844,0.79729589
1.15606579,-0.67245381

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444111/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35567

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.0443265

>  <SCORE.INTRA.DIHEDRAL>
-0.0283308

>  <SCORE.INTRA.DIHEDRAL.0>
1.45446

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0301611

>  <SCORE.INTRA.VDW.0>
-1.01748

>  <SCORE.INTRA.norm>
-0.00340973

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.565821

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.098012

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  214.3042  196.9310  246.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9275  195.5481  246.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0995  194.9763  245.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9267  193.7160  245.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8562  193.1227  245.1518 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2184  193.2385  244.5173 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.2482  192.8054  245.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9319  192.1733  243.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3626  190.9470  243.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0377  190.0468  242.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2380  190.3069  241.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7924  191.5322  241.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1397  192.4560  242.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8103  189.2339  240.6092 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8255  189.0764  239.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3525  187.9469  238.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8100  186.8680  239.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3873  185.8492  239.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8108  187.0619  240.9029 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2865  188.1722  241.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3013  188.4565  243.0867 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.3544  190.0857  238.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7272  190.3686  238.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2273  191.3481  237.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3648  192.0320  236.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0037  191.7292  236.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4978  190.7566  237.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 21  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
179.50914465,4.22556315,77.16643994,-62.94272110,67.79042021,215.04508192
190.93066726,241.69370495,-1.49528385,-1.23349038,-2.17935408

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444112/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.50005

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-3.89995

>  <SCORE.INTRA.DIHEDRAL>
-6.5057

>  <SCORE.INTRA.DIHEDRAL.0>
12.3662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.647103

>  <SCORE.INTRA.VDW.0>
-0.144249

>  <SCORE.INTRA.norm>
-0.144443

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.240742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006538

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  198.0494  201.8566  254.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6123  203.1499  254.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2685  203.2413  254.6313 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8760  201.9945  254.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9256  201.1077  254.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4948  201.8176  253.9209 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.1580  200.6800  253.5652 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7476  202.7982  254.0228 O   0  5  0  0  0  0  0  0  0  0  0  0
  198.3448  204.3066  255.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6770  205.4065  255.4518 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3587  206.5101  255.8649 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6972  207.7059  256.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2465  208.7327  256.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3712  207.6418  255.7527 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3534  206.4932  256.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0084  206.7433  255.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7798  208.4506  255.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  2   6   1   8  -1
M  END
>  <CHROM.1>
179.93166580,-179.82333713,196.63621225,204.12589943,254.92595816,-1.97497070
-0.18962210,0.24679044

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444113/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.36717

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.0328306

>  <SCORE.INTRA.DIHEDRAL>
-2.96223e-05

>  <SCORE.INTRA.DIHEDRAL.0>
9.40091e-05

>  <SCORE.INTRA.POLAR>
1.66533e-15

>  <SCORE.INTRA.POLAR.0>
-0.122337

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0328158

>  <SCORE.INTRA.VDW.0>
-0.359248

>  <SCORE.INTRA.norm>
-0.00234504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.526226

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  193.7374  207.4339  257.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3645  208.4311  256.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7351  209.8019  256.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3597  210.8113  255.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6917  212.1587  255.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2541  213.2329  254.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5620  214.5897  255.1645 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8630  215.2019  256.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0235  216.4273  256.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9229  215.5299  254.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2626  215.0977  252.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6248  216.0363  251.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9457  215.5677  250.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2971  216.4943  249.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6243  216.0349  247.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9871  216.9768  246.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3308  216.5410  245.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0153  216.2209  244.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-179.90169407,179.76707292,179.94590110,-179.94308244,66.89273910,-170.83777171
69.96800646,179.85247829,179.98352938,-179.95958080,179.94497084,179.93368747
-179.89892202,-120.54342940,193.48133541,214.00367150,252.69749834,-0.15090135
1.47762132,-2.45118069

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444130/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.1817

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.07778

>  <SCORE.INTRA>
-1.2183

>  <SCORE.INTRA.DIHEDRAL>
0.750087

>  <SCORE.INTRA.DIHEDRAL.0>
0.553216

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.59334

>  <SCORE.INTRA.VDW.0>
0.886743

>  <SCORE.INTRA.norm>
-0.0676831

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
1.01009

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013812

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 45  0  0  0  0  0  0  0  0999 V2000
  201.1606  205.7496  247.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7337  205.6619  248.4692 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7686  206.4984  247.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3533  206.7113  248.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0392  207.7746  248.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7700  207.8670  249.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8005  206.9082  249.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0928  205.8658  248.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3629  205.7671  247.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0860  204.1897  248.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2109  203.2073  247.9240 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8089  203.5043  246.7300 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0939  203.8723  245.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6912  203.9808  245.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9404  204.3063  244.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5707  204.5388  243.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9578  204.4596  243.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7106  204.1356  244.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2271  204.4140  244.6071 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.3794  203.9901  250.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4518  202.8299  250.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1095  202.7597  252.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3564  201.7549  252.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0551  200.6715  252.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6180  200.4982  250.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5924  201.4639  250.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4485  201.1344  249.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1208  199.2650  250.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2778  198.7688  251.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2293  199.6125  252.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8769  201.5947  254.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1249  202.6787  254.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5338  203.7745  253.2421 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9054  203.8248  253.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6957  205.1671  250.5685 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9782  205.9889  251.6721 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8387  206.4024  249.7267 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7971  203.2722  246.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6849  205.0000  250.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1730  206.5776  251.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0780  205.4106  252.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9847  206.3192  250.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 30  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 36 41  1  0  0  0  0
 37 42  1  0  0  0  0
M  END
>  <CHROM.1>
-171.61994725,-44.95461973,-174.20467994,86.57514025,-142.18742365,-93.51543090
1.72525835,-115.60352542,-74.86272507,53.66549027,-160.53599600,197.77993978
203.85551221,249.11908412,-1.14567756,1.52397520,1.57361729

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444131/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.25667

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416216

>  <SCORE.INTRA>
-8.14333

>  <SCORE.INTRA.DIHEDRAL>
8.43541

>  <SCORE.INTRA.DIHEDRAL.0>
12.3632

>  <SCORE.INTRA.POLAR>
-1.33683

>  <SCORE.INTRA.POLAR.0>
-1.46541

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.81583

>  <SCORE.INTRA.VDW.0>
0.112421

>  <SCORE.INTRA.norm>
-0.22009

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.196126

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  188.2963  218.0674  252.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0196  217.4140  253.0924 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.0453  217.3951  254.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7756  218.7201  255.2196 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5187  219.3145  254.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5564  219.4285  253.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8062  218.1090  252.5997 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8802  217.6866  251.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9225  218.4100  251.3822 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0818  216.4504  251.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2979  215.9105  250.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4519  214.5591  249.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6779  213.9797  248.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7455  214.7444  247.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6097  216.0964  248.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3845  216.6712  249.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9067  214.1610  246.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6768  219.2648  256.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6897  218.6572  256.4776 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4157  220.6013  256.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8792  221.2019  257.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3553  222.5063  257.8231 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5989  222.7277  256.7130 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7035  221.6192  256.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4941  223.5739  258.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1896  223.5319  259.8523 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1104  224.7633  260.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3030  225.6937  259.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6978  225.0555  258.4004 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.8065  225.0292  261.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5952  224.0343  262.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2294  224.2590  263.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1205  225.5061  264.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3564  226.5131  263.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6989  226.2741  262.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9481  223.2031  264.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6784  222.8630  265.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7611  220.6990  258.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3726  219.3217  259.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2391  220.7172  258.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6603  215.7938  251.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <CHROM.1>
-168.85236710,158.14930308,-47.68145425,-0.52700260,0.64775335,-130.20401668
186.98322181,220.47588222,256.32110710,-2.09814735,-0.86647065,0.55347957

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444132/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.63071

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.285

>  <SCORE.INTRA>
-2.76929

>  <SCORE.INTRA.DIHEDRAL>
-6.04816

>  <SCORE.INTRA.DIHEDRAL.0>
13.2416

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.254788

>  <SCORE.INTRA.VDW.0>
-0.754352

>  <SCORE.INTRA.norm>
-0.0692324

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.215768

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000364

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  195.1600  209.9951  260.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8221  208.6294  260.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9624  208.1710  258.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6309  206.7969  258.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7586  206.3457  257.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9139  206.1463  256.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6629  205.7078  255.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3069  205.5871  254.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3670  205.9975  256.2482 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.7211  205.4202  254.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.89413710,179.61614422,114.35655537,196.46550087,206.82293045,257.10388012
-1.87340992,-0.06626023,-2.19744720

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444133/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.99856

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-1.40144

>  <SCORE.INTRA.DIHEDRAL>
-2.63161

>  <SCORE.INTRA.DIHEDRAL.0>
2.69526

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0856347

>  <SCORE.INTRA.VDW.0>
-0.521372

>  <SCORE.INTRA.norm>
-0.140144

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.699856

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001567

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  199.9868  208.5719  255.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1073  209.5989  256.0656 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5033  209.7466  257.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4254  210.4230  258.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1728  211.8801  257.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2244  212.8564  258.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0485  214.2579  257.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2049  212.8956  260.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5123  212.3654  258.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3194  209.2154  255.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2814  210.3711  255.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1122  211.4499  255.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5360  212.3070  257.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-69.50559039,165.30799815,-64.97538306,-79.13025412,171.97779137,58.52567852
3.86669551,201.50975551,211.16745666,257.22934589,1.41797853,-0.69366446
-2.51327991

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444134/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71502

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-3.68498

>  <SCORE.INTRA.DIHEDRAL>
2.75304

>  <SCORE.INTRA.DIHEDRAL.0>
1.2345

>  <SCORE.INTRA.POLAR>
-0.999964

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.66162

>  <SCORE.INTRA.VDW.0>
3.32386

>  <SCORE.INTRA.norm>
-0.307081

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.642919

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004063

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  192.9786  190.6068  247.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8557  190.7229  246.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1279  190.5685  245.5513 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8483  190.1017  244.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0766  189.6237  243.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8187  188.6626  244.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8600  191.8676  245.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1974  191.8714  246.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0721  190.8780  245.7598 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1589  189.1389  244.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8733  190.9229  246.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
155.04923093,-167.96685406,114.21860036,51.57906697,-64.72758731,58.51228045
-177.74270467,194.83021798,190.51453232,245.43637906,2.30620855,0.21202132
0.95376602

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444135/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.29822

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.15556

>  <SCORE.INTRA>
-6.10178

>  <SCORE.INTRA.DIHEDRAL>
0.833619

>  <SCORE.INTRA.DIHEDRAL.0>
2.97717

>  <SCORE.INTRA.POLAR>
-0.75594

>  <SCORE.INTRA.POLAR.0>
-0.24406

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.94839

>  <SCORE.INTRA.VDW.0>
3.12728

>  <SCORE.INTRA.norm>
-0.677975

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.47758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  229.1727  176.7626  243.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6616  176.8505  242.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0747  177.8242  243.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5550  177.9243  243.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0363  178.9069  244.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6172  179.0315  244.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0853  179.9112  245.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6518  181.1389  246.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0399  181.9674  246.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8255  181.6137  247.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2671  180.3694  247.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8949  179.5274  246.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1699  182.5438  248.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6731  183.7836  248.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0830  184.6353  249.6714 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9202  184.2250  250.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3248  183.0506  249.9251 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9669  182.2427  249.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2446  185.0850  251.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8210  186.3111  251.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2035  187.1574  252.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9853  186.8045  253.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3928  185.5916  252.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0169  184.7400  251.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3029  187.5755  253.9498 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3023  188.9671  253.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5379  189.7630  254.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5673  191.2414  254.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8262  192.1017  255.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
179.93578710,179.99318073,-179.93743801,-179.80750096,40.75738965,-0.47547463
-0.26596592,41.36486398,-179.77933566,-179.96709162,-179.76173739,221.10693086
183.37423201,249.07979943,-0.97802499,0.38495709,0.48549431

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444136/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.422

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.565517

>  <SCORE.INTRA>
-0.978013

>  <SCORE.INTRA.DIHEDRAL>
2.65319

>  <SCORE.INTRA.DIHEDRAL.0>
1.48703

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.30461

>  <SCORE.INTRA.VDW.0>
3.42516

>  <SCORE.INTRA.norm>
-0.0337246

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.531793

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001270

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  191.5788  201.9921  259.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7287  203.1647  258.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2640  204.3152  259.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4475  205.4090  258.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1294  205.4590  257.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9450  206.5456  259.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8806  207.8718  259.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4891  208.6740  260.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9031  207.8786  261.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5625  206.5602  260.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8911  205.5848  261.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6135  205.9594  262.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9196  207.3039  263.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5639  208.3023  262.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0717  205.0632  263.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1116  204.0696  264.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9293  204.7275  264.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7030  204.6995  264.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1700  205.3580  266.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2534  208.5773  258.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5831  209.9090  257.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9429  210.5939  256.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9694  209.9571  255.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6382  208.6307  256.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2706  207.9543  257.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
178.99553847,3.56506572,-160.76563558,-167.50647697,-44.69037007,-62.94572514
115.15450255,192.85886072,206.49658334,260.48956286,0.99751520,1.12800522
2.59596230

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444137/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.16005

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-8.23995

>  <SCORE.INTRA.DIHEDRAL>
-15.641

>  <SCORE.INTRA.DIHEDRAL.0>
20.2586

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.419449

>  <SCORE.INTRA.VDW.0>
0.536872

>  <SCORE.INTRA.norm>
-0.329598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.166402

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  220.0683  188.9960  249.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2640  188.2668  249.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6111  187.1741  249.3367 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7187  186.7557  248.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1197  185.7753  247.6201 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5400  187.5039  247.2537 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2302  188.6036  247.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9564  189.2563  246.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9957  188.5350  251.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5258  189.4818  251.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1572  187.6999  251.9439 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0039  186.6353  249.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6364  187.2178  246.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.9702  187.8586  252.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
-0.04822307,-179.96781134,219.26447401,187.98392333,249.20337997,-1.29181109
0.88473841,1.16276740

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444138/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94335

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.456649

>  <SCORE.INTRA.DIHEDRAL>
4.48184e-06

>  <SCORE.INTRA.DIHEDRAL.0>
1.20517e-05

>  <SCORE.INTRA.POLAR>
-0.0546309

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.270906

>  <SCORE.INTRA.VDW.0>
0.0372801

>  <SCORE.INTRA.norm>
-0.0415135

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.540305

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004146

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  224.5018  177.7957  249.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0246  178.6507  248.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4480  177.7661  247.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1511  177.0439  247.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7660  178.0878  247.8950 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.7156  179.0593  246.7369 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7137  179.9778  246.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6685  180.0294  247.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6739  181.0098  247.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6892  181.9607  246.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6817  181.9327  245.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6745  180.9467  245.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4689  183.1769  246.6184 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.6641  179.0893  249.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9795  179.6879  248.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2486  179.4049  247.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-5.54261743,220.57773900,179.86006668,247.41554118,-0.59920120,-0.06506002
-0.26848250

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444139/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24206

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.157942

>  <SCORE.INTRA.DIHEDRAL>
-1.60157

>  <SCORE.INTRA.DIHEDRAL.0>
1.64279

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.642842

>  <SCORE.INTRA.VDW.0>
-0.0905076

>  <SCORE.INTRA.norm>
-0.00987136

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.390129

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000601

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  221.0148  187.7774  252.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9083  186.9847  251.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5704  186.5292  250.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3312  186.8577  249.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4553  187.6801  250.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7919  188.1313  251.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9366  186.3451  248.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8038  186.5374  247.5949 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9539  185.8247  246.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1238  185.1714  246.3357 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7128  185.5094  247.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9430  185.8074  245.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7386  186.5125  245.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7537  186.4714  244.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9639  185.7248  243.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1587  185.0274  243.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1448  185.0695  244.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6243  185.1276  247.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
178.18209840,-1.20144812,219.09525440,186.33949958,247.48569116,1.00575274
-0.42346999,1.07976740

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444140/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.01507

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-1.38493

>  <SCORE.INTRA.DIHEDRAL>
-2.97954

>  <SCORE.INTRA.DIHEDRAL.0>
2.9899

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.104844

>  <SCORE.INTRA.VDW.0>
-0.897904

>  <SCORE.INTRA.norm>
-0.0814663

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.353828

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000979

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  194.3365  218.5696  245.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8048  218.6699  246.9169 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8031  219.9961  247.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8143  219.9177  249.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8240  219.8505  250.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8723  219.7786  251.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0511  218.4239  252.2369 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2329  217.8352  251.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3106  218.4792  251.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4693  217.7714  250.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5570  216.4103  251.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4904  215.7552  251.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3308  216.4667  252.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9907  215.5450  250.8397 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.6068  217.6625  247.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0530  216.6536  248.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8300  215.6155  248.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1940  215.5652  248.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7730  216.5477  247.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9858  217.5768  247.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
159.15310538,-98.59243192,78.02235020,-88.51488419,64.50791141,6.65090811
196.56756630,217.51066313,249.65991299,-2.60178559,-0.72407578,1.36337734

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444141/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.83717

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-4.56283

>  <SCORE.INTRA.DIHEDRAL>
0.127589

>  <SCORE.INTRA.DIHEDRAL.0>
1.11634

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.62663

>  <SCORE.INTRA.VDW.0>
2.10761

>  <SCORE.INTRA.norm>
-0.228142

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.341858

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001593

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  192.3986  211.0460  254.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4933  210.4485  253.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2977  209.7210  252.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0081  209.5294  251.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9146  210.0783  252.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0751  210.9205  253.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8640  211.6302  254.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6525  211.7318  253.7515 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1685  211.1259  252.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7673  212.1623  251.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9630  212.7661  250.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9213  213.4159  251.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1307  213.2376  251.7572 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2847  214.2385  252.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0467  212.3432  255.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1352  213.3423  255.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3218  214.0845  257.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4286  213.8305  257.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2871  212.7942  257.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0776  212.0215  256.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3531  212.5417  258.3657 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.9984  213.6221  255.2564 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6407  209.0530  251.3711 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.8830  214.6854  253.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.2558  213.4759  254.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
168.97741516,158.94288508,-115.15235561,78.15959273,-57.98144269,130.32383030
-179.03803845,-34.10511818,190.81205088,211.85716646,253.83857224,-0.94664250
-0.52678857,1.27577183

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444142/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87298

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-5.52702

>  <SCORE.INTRA.DIHEDRAL>
-2.82836

>  <SCORE.INTRA.DIHEDRAL.0>
8.88785

>  <SCORE.INTRA.POLAR>
-0.358355

>  <SCORE.INTRA.POLAR.0>
-0.956366

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.89444

>  <SCORE.INTRA.VDW.0>
0.611867

>  <SCORE.INTRA.norm>
-0.240305

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.255347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000058

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  213.7372  177.9429  245.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9603  179.0473  245.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5607  180.2961  245.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9444  180.4515  245.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6901  179.3675  245.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1065  178.1042  246.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0834  179.6234  246.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4848  178.8392  247.2150 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7726  180.7284  245.8066 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9829  181.7645  245.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3957  182.8657  244.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6716  183.3089  244.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6245  182.5007  243.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4876  181.0711  243.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5494  180.3325  242.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8626  180.9214  242.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0559  182.2435  242.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9195  183.1595  243.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0789  184.3733  243.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5821  181.6781  245.3146 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1461  180.8980  246.2279 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1325  179.9604  246.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3201  180.3489  246.4234 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1675  181.6765  246.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1881  182.6196  246.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8649  183.9738  246.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5325  184.3657  246.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4917  183.4210  246.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8200  182.0690  246.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0364  182.3633  244.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 30  1  0  0  0  0
 21 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
60.06851287,35.46244219,218.56595719,181.31167183,245.30861259,-2.83475361
-0.39807789,-1.18849612

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444143/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.15729

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.255172

>  <SCORE.INTRA>
-2.24271

>  <SCORE.INTRA.DIHEDRAL>
4.43621

>  <SCORE.INTRA.DIHEDRAL.0>
5.40653

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.46081

>  <SCORE.INTRA.VDW.0>
-0.248248

>  <SCORE.INTRA.norm>
-0.0773347

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.177838

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  214.2489  191.5013  242.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6364  192.9718  242.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1123  193.2617  241.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5071  192.9344  240.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0034  192.9836  239.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4486  194.7298  241.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2506  195.0912  243.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0823  194.4239  244.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0785  193.8165  243.8181 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6184  194.6799  245.6411 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.1659  194.2487  245.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0554  192.7335  245.7013 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.6177  192.2265  245.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5352  190.6949  245.6534 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5833  189.9831  246.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9970  190.5465  246.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0111  192.0488  246.6947 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.4462  192.5909  246.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5067  194.0524  246.6483 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1652  190.2403  245.9880 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0778  190.5128  245.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1431  190.1544  243.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0872  190.3398  242.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8978  190.8821  243.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7754  191.2122  244.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8365  191.0190  245.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5468  191.3700  247.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4380  191.2062  247.9936 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7513  191.7333  249.0187 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5000  192.1237  248.7449 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3589  191.9001  247.4454 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2170  194.3618  247.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.9126  190.4057  246.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1687  191.8476  249.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  6  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  1  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
68.08629382,-169.87372211,59.64397622,64.24189725,15.32614201,57.56384820
73.52557200,53.37426921,-1.84661344,213.68518223,192.23754857,244.90333207
0.41411843,-0.34086413,-1.61030042

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444145/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.05624

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-13.3438

>  <SCORE.INTRA.DIHEDRAL>
-19.8344

>  <SCORE.INTRA.DIHEDRAL.0>
23.4819

>  <SCORE.INTRA.POLAR>
-0.104021

>  <SCORE.INTRA.POLAR.0>
-0.666615

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.07291

>  <SCORE.INTRA.VDW.0>
1.05967

>  <SCORE.INTRA.norm>
-0.430444

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0340722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001336

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 50 55  0  0  0  0  0  0  0  0999 V2000
  203.9154  214.2066  260.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5540  213.1292  259.6722 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1649  211.7347  259.9242 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.7056  210.8649  258.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2885  210.7777  258.7973 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7240  212.0394  258.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0263  212.9942  259.5031 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.3886  214.2945  259.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4760  214.9519  259.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9673  216.1980  259.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3715  216.8176  258.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2395  216.1303  257.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7443  214.8845  257.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8224  218.1788  258.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6695  219.2364  258.4345 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9244  209.8253  257.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6562  209.2306  257.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3336  208.3330  256.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2647  208.0168  255.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5241  208.6313  255.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8531  209.5099  256.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9007  206.9997  254.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0911  207.5501  253.4777 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7409  207.3655  253.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0361  206.7565  254.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2193  207.9823  252.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3779  208.8247  251.6368 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5471  208.4421  252.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6702  208.9210  252.4760 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1168  210.2523  251.6716 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1142  210.9355  252.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3049  210.4054  253.9442 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8126  212.2324  252.6345 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9198  213.0367  253.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3533  213.1908  254.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1680  214.1391  253.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5124  214.2569  253.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0502  213.4418  254.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2401  212.5161  255.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8960  212.3906  255.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8949  211.1086  261.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8586  209.5710  261.5396 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.9142  208.4733  260.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5645  207.9170  259.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8963  207.0311  258.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5682  206.6978  258.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9084  207.2478  259.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5794  208.1394  260.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2273  220.0671  258.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8146  210.7533  250.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 41  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 49  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  1  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 48  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
M  END
>  <CHROM.1>
-172.32784110,160.06100013,-115.93221670,93.93832974,-178.88946801,80.86560116
-101.30382639,73.93223042,-174.24980678,69.39113384,81.05227850,-75.18567390
117.34575404,201.48177378,211.14992096,256.81196649,-0.90533227,1.05496900
-2.87207254

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444146/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.30889

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3625

>  <SCORE.INTRA>
-12.0911

>  <SCORE.INTRA.DIHEDRAL>
-9.07948

>  <SCORE.INTRA.DIHEDRAL.0>
19.8318

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.55137

>  <SCORE.INTRA.VDW.0>
-4.21119

>  <SCORE.INTRA.norm>
-0.251898

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
0.110602

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.083008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  195.5752  199.4927  244.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3115  200.2870  243.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9449  199.6165  242.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6197  200.3009  241.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6642  201.7072  241.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0578  202.3745  242.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3822  201.6747  243.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3409  202.5590  240.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2674  199.5981  239.9854 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3251  198.2334  239.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7152  197.3855  240.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2148  197.9307  238.8490 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3590  196.5194  238.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3689  196.3652  237.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3301  195.8111  236.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6460  195.8866  235.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3991  196.4981  236.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6325  196.7946  237.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7834  200.1147  239.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
0.22667732,179.48533342,-179.24275341,-119.41518348,198.63906169,198.80552803
239.90575249,2.50169777,0.86976403,0.06581065

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444147/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.90967

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-2.49033

>  <SCORE.INTRA.DIHEDRAL>
-6.28711

>  <SCORE.INTRA.DIHEDRAL.0>
6.55433

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.653222

>  <SCORE.INTRA.VDW.0>
0.367906

>  <SCORE.INTRA.norm>
-0.138352

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.38387

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000060

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  207.3946  220.2318  248.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1784  219.7454  248.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9555  220.0518  248.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9830  220.8622  249.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2072  221.3449  250.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4118  221.0351  249.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2250  222.3405  251.8466 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.6981  219.4823  248.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8002  218.7794  247.2025 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4769  219.7784  248.8153 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3166  219.2620  248.2777 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2152  219.5645  248.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9153  219.0304  248.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8191  219.3410  248.9592 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6503  218.8327  248.4390 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4391  219.1878  249.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3285  219.9451  249.9919 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1934  218.6205  248.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2151  217.7175  247.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0130  217.1782  246.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7913  217.5275  247.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7655  218.4194  248.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9617  218.9576  249.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0398  216.0462  245.5914 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.4110  220.3547  249.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6812  218.2882  247.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
0.19653790,179.79528673,-179.82881624,-177.30553177,3.10383896,199.58846762
219.29076945,248.64168056,-0.29567513,-0.08686396,-2.22719073

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444148/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.12369

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-1.27631

>  <SCORE.INTRA.DIHEDRAL>
-3.3745

>  <SCORE.INTRA.DIHEDRAL.0>
3.40926

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.410937

>  <SCORE.INTRA.VDW.0>
-0.211116

>  <SCORE.INTRA.norm>
-0.0531796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.380154

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001414

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  221.7820  183.7982  248.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2879  183.6355  247.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9402  183.7564  247.0718 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0359  184.1085  248.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8161  184.1497  247.8965 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5698  184.3620  249.3030 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8538  184.0924  249.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2250  184.0620  250.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3732  183.2657  245.8162 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.4293  184.2034  244.6497 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.3491  183.5764  243.6664 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.6614  184.8305  244.2747 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9562  182.3953  244.3409 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.0285  182.0433  245.3917 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1944  181.1718  243.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9605  180.6490  242.9805 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9117  184.5234  250.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.4238  180.4536  243.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  9  3  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-85.74382403,-63.50384746,-57.25277641,220.19153450,183.34750842,246.43280863
-1.58108334,0.57683927,-1.90051961

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444149/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.72771

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.672292

>  <SCORE.INTRA.DIHEDRAL>
-0.676384

>  <SCORE.INTRA.DIHEDRAL.0>
2.52837

>  <SCORE.INTRA.POLAR>
0.0272881

>  <SCORE.INTRA.POLAR.0>
-0.0746815

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.426879

>  <SCORE.INTRA.VDW.0>
-0.766825

>  <SCORE.INTRA.norm>
-0.0420182

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.420482

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030346

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  202.4656  193.1003  245.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8386  193.6048  244.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4268  194.8585  243.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6422  195.5949  245.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2784  195.0976  246.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6580  193.8426  246.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2489  193.2494  247.7945 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3922  192.9098  248.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3396  191.9281  248.2309 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3695  194.1659  248.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2227  196.8295  245.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8169  195.4088  242.7616 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7420  192.3081  247.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8193  191.0983  247.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5991  194.2363  247.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3885  196.9614  244.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6057  194.7749  242.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <CHROM.1>
-0.07871577,-0.04431236,112.69748707,-59.78712380,61.68278671,58.93953927
203.15664596,194.24094708,246.02795281,-2.80998418,1.39718445,0.17382731

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444150/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94617

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-2.45383

>  <SCORE.INTRA.DIHEDRAL>
-3.0652

>  <SCORE.INTRA.DIHEDRAL.0>
4.01416

>  <SCORE.INTRA.POLAR>
0.30662

>  <SCORE.INTRA.POLAR.0>
-0.65915

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.96374

>  <SCORE.INTRA.VDW.0>
1.44264

>  <SCORE.INTRA.norm>
-0.204486

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.495514

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  219.5494  218.8280  223.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5821  218.1678  224.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4200  216.8276  224.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3741  216.1742  225.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5067  216.8663  225.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6734  218.2063  225.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7173  218.8530  224.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1702  214.7254  225.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1542  214.2206  225.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1093  214.0836  226.3623 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.0633  212.7125  226.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9733  212.2186  227.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8938  210.8814  228.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9150  210.0006  227.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0605  210.5009  226.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1321  211.8270  226.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7491  208.7407  228.1442 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2064  207.5304  227.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7084  206.4886  228.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6975  206.2346  229.5137 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1853  207.4499  230.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6867  208.4744  229.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1750  204.9832  229.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7009  204.6306  231.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1786  203.3685  231.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1152  202.4060  230.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5724  202.7065  229.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0895  203.9722  228.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4782  204.2219  227.5485 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.5170  201.7824  228.1163 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.6175  201.1912  230.6223 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.7480  203.0797  232.5824 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.7898  205.5026  232.0907 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.7822  214.6579  226.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 26  2  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-2.20679185,-172.29531465,-105.34651935,151.98678679,221.17875804,209.30128649
227.91001239,1.24879204,-1.41006387,-0.68985813

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444151/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64602

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-2.75398

>  <SCORE.INTRA.DIHEDRAL>
-5.18981

>  <SCORE.INTRA.DIHEDRAL.0>
9.18039

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.159073

>  <SCORE.INTRA.VDW.0>
0.815512

>  <SCORE.INTRA.norm>
-0.0834539

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.201395

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002700

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  191.5988  204.4522  253.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6106  205.3613  254.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1134  205.7632  255.4985 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8111  204.6541  256.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7838  203.7171  255.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2118  203.2500  254.3656 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3325  202.2163  254.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9088  201.8893  255.4683 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6711  201.6347  253.2526 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9453  207.1162  255.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2723  207.9837  254.9675 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3880  207.5046  257.1610 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9814  207.0010  257.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1111  206.6151  258.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3314  206.5480  259.2629 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1764  206.8851  258.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9275  206.3119  259.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9959  206.5360  261.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9094  206.2878  261.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7196  205.8064  261.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6289  205.5743  259.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7233  205.8217  259.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4960  205.4196  257.4820 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.1089  207.0169  261.6290 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.0900  201.7041  252.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3568  200.8918  253.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  6  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
117.96624377,-63.09422155,-151.87939765,190.38954678,205.45712430,257.33585385
0.86559557,-0.64651758,-2.45365098

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444152/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.94832

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.451678

>  <SCORE.INTRA.DIHEDRAL>
-0.543211

>  <SCORE.INTRA.DIHEDRAL.0>
4.81726

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.180073

>  <SCORE.INTRA.VDW.0>
-0.435591

>  <SCORE.INTRA.norm>
-0.0188199

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.33118

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000982

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  217.5034  205.2420  244.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9783  206.1596  245.9821 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.3476  207.4574  245.4314 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.9612  207.1476  244.8797 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.1451  206.4911  245.9785 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.7828  205.1526  246.3860 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.1090  205.4435  246.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0779  204.4171  247.4092 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8413  203.8406  247.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9956  203.8390  246.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6830  203.3955  246.3114 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2189  202.8731  247.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9155  202.5953  247.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4081  201.9020  248.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2233  201.6337  248.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3937  201.4768  249.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6881  201.8131  249.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1733  202.5914  248.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4325  203.0765  248.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4294  202.8957  249.3831 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6176  201.3965  250.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2592  204.3286  244.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8332  205.6244  244.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1755  206.1342  243.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9339  205.3716  242.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3753  204.1050  242.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0050  203.5679  243.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2456  205.8631  241.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8153  207.3922  242.7966 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0051  207.3983  247.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2970  208.3395  244.4448 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1897  208.0546  244.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2040  203.3947  249.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4818  201.7864  250.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8816  206.7716  241.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.8918  207.5492  243.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4535  206.9459  247.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4864  208.0385  243.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.7640  208.8777  244.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  6  0  0  0
  4  5  1  0  0  0  0
  4 31  1  1  0  0  0
  5  6  1  0  0  0  0
  5 30  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 35  1  0  0  0  0
 29 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
M  END
>  <CHROM.1>
-178.66868807,171.49833344,178.38285345,67.54122807,-2.09806330,-97.50401605
-176.06849865,4.74372873,-42.82672927,3.66670383,212.89294245,204.68317259
246.18004732,-0.84977922,0.40396041,2.01478987

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444153/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.33484

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2625

>  <SCORE.INTRA>
-16.7348

>  <SCORE.INTRA.DIHEDRAL>
-17.96

>  <SCORE.INTRA.DIHEDRAL.0>
25.5352

>  <SCORE.INTRA.POLAR>
-1.43332

>  <SCORE.INTRA.POLAR.0>
-0.828225

>  <SCORE.INTRA.REPUL>
-0.0404993

>  <SCORE.INTRA.REPUL.0>
0.0404993

>  <SCORE.INTRA.VDW>
-2.67908

>  <SCORE.INTRA.VDW.0>
-0.378084

>  <SCORE.INTRA.norm>
-0.522964

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
-0.260464

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000485

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  219.7849  179.6328  251.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5548  179.9693  249.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5134  181.2327  249.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2849  181.6169  247.9362 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.4657  182.4340  247.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9066  183.3090  246.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5036  183.5574  246.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7718  184.4433  246.3217 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1038  182.5264  247.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8863  182.4916  248.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-120.70288362,218.97553755,182.13553858,248.11527725,1.33752741,-0.23828392
2.28103157

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444170/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3949

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.00510444

>  <SCORE.INTRA.DIHEDRAL>
-0.0195374

>  <SCORE.INTRA.DIHEDRAL.0>
0.0389431

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00466426

>  <SCORE.INTRA.VDW.0>
-0.497986

>  <SCORE.INTRA.norm>
-0.000510444

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.63949

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014597

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 52 57  0  0  0  0  0  0  0  0999 V2000
  208.0138  195.4535  237.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9100  196.5805  237.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0945  196.3623  238.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2840  197.9724  238.0255 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.9113  198.0203  238.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2344  197.8402  240.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6228  198.5201  240.4520 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.0701  198.8935  238.9789 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.5243  199.3734  238.9511 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6582  200.7428  239.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2238  200.5644  241.3970 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.7260  199.9000  241.1144 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.4775  200.1945  241.8931 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.5709  201.6249  242.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6457  201.7428  243.3205 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0638  201.8873  242.4922 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.0687  201.9123  243.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9286  203.1941  244.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5497  203.3655  245.1640 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.1951  202.6614  244.5324 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.5693  202.1457  245.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1551  203.4395  246.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3357  204.3530  247.0241 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.1303  204.7617  245.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5770  205.3170  244.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9473  206.0115  245.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1965  203.6423  248.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5855  203.5258  249.3485 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.3799  202.7152  250.4222 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.5581  203.5060  250.9709 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0746  204.9060  251.3972 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.3553  205.5780  250.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2131  204.8064  249.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1884  204.7893  252.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1179  202.7964  252.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3441  203.5159  252.9131 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.2123  202.4828  253.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8720  204.6174  252.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6050  204.1410  254.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7779  201.4193  249.9572 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7577  203.2984  244.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4306  203.1597  241.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1790  199.3396  242.9782 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5585  199.9101  241.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3519  198.3510  239.3832 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2883  197.5528  241.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9455  198.4498  236.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6934  204.4654  253.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2512  204.5845  254.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3403  201.5403  249.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9131  199.3202  243.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1911  197.5013  238.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 47  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 40  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 34 48  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 39 49  1  0  0  0  0
 40 50  1  0  0  0  0
 43 51  1  0  0  0  0
 45 52  1  0  0  0  0
M  END
>  <CHROM.1>
46.22192879,52.60908092,56.71324358,-69.13609436,176.08205477,59.53282858
-175.82701454,66.50371829,-148.35891543,179.57796396,209.51374420,201.67874718
245.06227236,-1.77958862,-0.87528671,0.98451916

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444171/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.96194

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.221277

>  <SCORE.INTRA>
-19.3619

>  <SCORE.INTRA.DIHEDRAL>
-10.6984

>  <SCORE.INTRA.DIHEDRAL.0>
13.9312

>  <SCORE.INTRA.POLAR>
-1.91073

>  <SCORE.INTRA.POLAR.0>
-0.0397941

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.51625

>  <SCORE.INTRA.VDW.0>
6.42092

>  <SCORE.INTRA.norm>
-0.411956

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
47

>  <SCORE.norm>
-0.19068

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  204.5665  211.3217  259.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4214  212.2802  258.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2886  212.6331  257.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2995  212.0211  256.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4300  211.0638  257.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5758  210.7178  258.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6886  209.7092  259.1134 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.8501  209.4365  260.3098 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8360  209.1926  258.3790 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.1445  212.3742  255.2360 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.0961  212.1435  254.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0373  212.8131  254.8938 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.1040  213.5872  256.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8908  213.7336  255.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  4   7   1   9  -1  10   1  12  -1
M  END
>  <CHROM.1>
-179.42042743,204.00420540,211.48267330,257.41671779,-2.07556870,-0.65802335
-1.21918898

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444173/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.1183

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.415385

>  <SCORE.INTRA>
-0.281705

>  <SCORE.INTRA.DIHEDRAL>
-0.0381381

>  <SCORE.INTRA.DIHEDRAL.0>
0.0388545

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.262636

>  <SCORE.INTRA.VDW.0>
0.319148

>  <SCORE.INTRA.norm>
-0.0216696

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.393715

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001644

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  228.5544  188.0127  250.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.4722  187.8213  249.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.0897  188.0225  247.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7786  188.4147  247.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8726  188.6252  248.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2538  188.4188  249.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3424  188.6114  245.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1277  188.9534  245.6061 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.0720  189.0828  244.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2463  188.8292  243.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4295  188.3048  244.6969 S   0  0  0  0  0  0  0  0  0  0  0  0
  227.5415  188.8157  241.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4428  190.0757  241.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4736  190.6003  240.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3509  191.6286  239.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.1844  192.2055  240.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.1253  191.7657  242.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2632  190.7215  242.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3369  187.4772  241.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9258  186.2098  242.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6049  185.0258  241.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.7584  185.0699  241.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2203  186.2946  240.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5155  187.4728  240.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1456  188.9249  241.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6717  187.8597  240.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4646  187.9385  239.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7131  189.1049  239.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1727  190.1934  240.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3663  190.1024  241.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
178.68544790,109.29685633,-156.94394549,45.79995109,-114.62612883,227.74990606
188.66792351,243.28942070,-1.45666810,0.26234653,-1.49545229

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444174/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.42917

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-1.97083

>  <SCORE.INTRA.DIHEDRAL>
-3.69086

>  <SCORE.INTRA.DIHEDRAL.0>
6.41644

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.125405

>  <SCORE.INTRA.VDW.0>
-4.50132

>  <SCORE.INTRA.norm>
-0.0656944

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.280972

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006637

$$$$
rDock on collection 9274/Array of sdfs_001925.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  208.2357  196.6798  252.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4598  195.3939  252.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3971  194.4915  251.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4662  193.2972  251.8928 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.8695  193.1319  253.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0414  194.0606  254.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7368  195.2342  253.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5717  193.9964  255.5265 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0938  191.9693  253.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4368  191.0411  253.7756 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1112  192.0132  251.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5921  191.1365  250.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4276  190.0888  250.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4922  190.2740  251.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3509  191.4379  251.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2171  194.6892  250.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2774  195.2931  250.5508 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5741  194.1493  249.5298 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3064  194.1160  248.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3027  193.0027  248.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9855  191.7012  248.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9468  190.6936  248.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2344  190.9819  248.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5642  192.2781  248.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6034  193.2853  248.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9655  193.2731  256.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5600  194.0747  255.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  3  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
27.67174085,-128.45531048,66.18378134,-172.80874711,75.32439844,91.60248816
207.83869487,193.01508869,251.17942146,-2.60107831,-0.83483539,-2.79167189

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444175/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.53142

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-3.86858

>  <SCORE.INTRA.DIHEDRAL>
-4.04292

>  <SCORE.INTRA.DIHEDRAL.0>
10.3206

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.84712

>  <SCORE.INTRA.VDW.0>
-1.9675

>  <SCORE.INTRA.norm>
-0.154743

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.301257

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000389

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  194.5345  219.5340  261.9693 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.8897  218.6052  262.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2072  219.9227  261.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5342  220.1417  262.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2161  219.4490  261.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2677  218.8644  260.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  1   1   1
M  END
>  <CHROM.1>
-59.77233161,193.90770762,219.47620783,261.68203589,-0.40895546,0.19251618
-2.19955293

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444176/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
2.7

>  <SCORE.INTRA>
-6.36402e-09

>  <SCORE.INTRA.DIHEDRAL>
-1.15252e-08

>  <SCORE.INTRA.DIHEDRAL.0>
2.80418e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.01405e-10

>  <SCORE.INTRA.VDW.0>
-0.103566

>  <SCORE.INTRA.norm>
-3.18201e-09

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
2

>  <SCORE.norm>
2.7

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.860492

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  209.3726  187.0061  244.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2246  186.1516  245.1799 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4150  185.4956  246.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9776  186.9476  245.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7909  186.1084  244.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9869  185.5279  243.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9908  184.5895  243.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1740  183.3797  243.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2522  182.7874  244.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6273  181.4523  244.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5100  180.2726  244.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7958  180.2141  244.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7279  181.3988  244.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3401  182.6529  243.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2309  183.0128  242.6524 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0144  184.1200  241.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9062  184.9570  242.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7721  186.1172  241.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7035  186.4178  240.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7915  185.5844  240.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9357  184.4463  240.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5017  187.8208  239.3886 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
148.18043469,-59.00165072,64.54512501,56.32261934,207.88478945,184.62608075
243.09002389,0.88428242,1.20290241,-0.04175964

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444177/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.42902

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-3.97098

>  <SCORE.INTRA.DIHEDRAL>
1.79982

>  <SCORE.INTRA.DIHEDRAL.0>
2.8321

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.87089

>  <SCORE.INTRA.VDW.0>
2.24344

>  <SCORE.INTRA.norm>
-0.180499

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.246773

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000303

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 40  0  0  0  0  0  0  0  0999 V2000
  195.2589  223.4094  249.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2744  221.8959  249.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5760  221.3840  248.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9198  222.2337  247.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1855  221.7285  246.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1400  220.4283  245.7606 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8183  219.6168  246.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5313  220.0076  248.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1990  219.0934  249.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9371  219.5825  250.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9995  220.9612  250.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7369  221.0717  252.1735 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3561  219.8340  252.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5428  218.8886  251.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2840  217.5288  251.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8592  217.1318  253.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6434  218.0960  254.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8584  219.4505  253.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6790  215.7836  253.4104 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9236  215.2349  254.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6661  222.2822  252.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7958  222.6533  253.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1789  222.8672  253.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6147  221.7303  252.5598 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1064  221.8640  251.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4399  222.8716  250.6937 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2072  220.5171  250.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4561  220.1087  249.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4485  218.7334  249.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2399  217.8116  250.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9806  218.2528  251.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9346  219.6206  251.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5489  220.4108  252.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2308  219.9240  253.9976 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1027  217.6081  248.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 33  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-106.38672393,148.74002232,60.39780362,-53.40061774,130.20761944,195.95975566
220.01315457,251.02491482,-0.77105419,1.13295843,1.37684377

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444178/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.41932

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297143

>  <SCORE.INTRA>
-8.98068

>  <SCORE.INTRA.DIHEDRAL>
0.236778

>  <SCORE.INTRA.DIHEDRAL.0>
5.52827

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.09907

>  <SCORE.INTRA.VDW.0>
0.61366

>  <SCORE.INTRA.norm>
-0.256591

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0405521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  204.2732  192.8007  246.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3946  191.3853  247.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1947  191.3676  248.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2542  189.9497  249.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9408  190.0080  250.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7774  188.6254  251.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2037  188.6934  252.7038 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.9672  187.2868  253.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1646  189.4632  253.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8596  189.4584  252.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8283  188.8278  251.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2043  189.0695  250.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3281  188.5843  249.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2575  188.0614  249.6629 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7831  188.9096  247.9712 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.8509  190.3158  247.3384 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.7169  191.3459  248.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6637  190.9608  247.4168 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.7024  189.0554  247.0567 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5130  188.8360  245.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7701  187.7536  245.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9694  190.1236  245.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4977  191.4126  245.8084 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3020  190.7747  246.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  6  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
177.69091287,-175.75017938,171.75368143,-169.43505386,176.01975608,57.84128802
-74.37334705,-178.04535351,4.70088965,-67.66950068,201.79501327,189.69584421
248.86281670,-1.96154796,0.50196195,1.97461774

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444179/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6107

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.641667

>  <SCORE.INTRA>
-3.78928

>  <SCORE.INTRA.DIHEDRAL>
-2.31135

>  <SCORE.INTRA.DIHEDRAL.0>
5.25782

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.63361

>  <SCORE.INTRA.VDW.0>
4.1949

>  <SCORE.INTRA.norm>
-0.157887

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.48378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031437

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  196.7550  218.8786  259.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8485  218.4951  258.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2770  218.6173  258.9264 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.2862  218.1179  257.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5893  220.0647  259.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4389  217.7003  260.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2153  216.2042  260.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8941  215.7212  260.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6108  214.3554  260.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6302  213.4360  260.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9344  213.8827  259.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2339  215.2523  259.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0823  215.6858  259.9053 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
176.15800096,59.43083480,-87.96156957,199.93307996,216.46933316,259.63403447
2.23689772,0.01358983,-0.25463871

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444180/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85932

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-1.54068

>  <SCORE.INTRA.DIHEDRAL>
-0.694317

>  <SCORE.INTRA.DIHEDRAL.0>
1.33574

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.19352

>  <SCORE.INTRA.VDW.0>
2.48496

>  <SCORE.INTRA.norm>
-0.118514

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.52764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007460

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  202.4639  192.6369  245.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2664  194.1152  245.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0871  194.7019  246.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9141  196.0755  246.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8970  196.8855  245.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0460  196.3412  244.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2539  194.9480  244.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0222  197.2275  242.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4681  197.6102  242.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3772  196.5045  241.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2166  198.5319  243.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0775  193.9880  247.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9365  194.5937  248.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.84908356,93.74198249,202.09127794,195.78759527,244.55770861,-1.34056828
1.42370117,-1.06135541

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444181/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03727

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.362729

>  <SCORE.INTRA.DIHEDRAL>
-0.00366648

>  <SCORE.INTRA.DIHEDRAL.0>
0.754785

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.360896

>  <SCORE.INTRA.VDW.0>
2.81587

>  <SCORE.INTRA.norm>
-0.0302274

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.503106

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007756

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  182.5741  207.9650  255.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3216  208.2966  256.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0820  209.8008  256.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8333  210.2062  257.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5560  211.7186  257.2340 C   0  0  1  0  0  0  0  0  0  0  0  0
  179.2778  212.2578  255.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0126  212.9905  255.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.0061  211.9619  255.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.6416  212.5319  254.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.2018  212.2726  253.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.0432  212.9291  254.9029 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  178.4341  211.9857  258.0992 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.1143  213.2969  258.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.7112  214.2355  257.7424 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.9197  213.4616  259.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
179.79649874,-179.34556206,62.89001831,-110.50142133,176.26013466,175.15973497
-177.19739339,59.58004694,-1.28451746,178.50947981,211.84522195,256.24088144
0.18038447,0.62335576,-2.07002893

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444182/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2719

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.96

>  <SCORE.INTRA>
-4.12812

>  <SCORE.INTRA.DIHEDRAL>
-5.35153

>  <SCORE.INTRA.DIHEDRAL.0>
6.65807

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.45235

>  <SCORE.INTRA.VDW.0>
0.858959

>  <SCORE.INTRA.norm>
-0.275208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.684792

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014237

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  205.3675  192.4512  250.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8053  191.1690  249.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8109  191.3096  247.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7294  189.5845  250.0687 Si  0  0  0  0  0  0  0  0  0  0  0  0
  205.5292  189.5182  251.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9667  187.9751  249.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6591  186.6967  249.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4581  187.8836  249.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3629  189.6592  249.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0794  189.5665  248.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5197  189.2413  247.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3312  189.1512  246.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7025  189.3855  246.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2662  189.7112  247.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4535  189.7985  248.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6965  189.2618  244.9155 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
61.50260085,-178.11008821,-72.79778871,-6.54210270,207.23785561,189.50679718
248.23699185,-3.07342061,-0.63418211,-3.06837462

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444183/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.32723

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-1.07277

>  <SCORE.INTRA.DIHEDRAL>
-1.32368

>  <SCORE.INTRA.DIHEDRAL.0>
1.54667

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.410925

>  <SCORE.INTRA.VDW.0>
-2.12715

>  <SCORE.INTRA.norm>
-0.0715177

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.555149

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  186.2149  208.9407  262.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0335  210.4242  262.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0885  211.0501  264.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9195  212.5071  264.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9495  213.1217  265.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7110  213.1955  262.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5690  214.5856  262.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3628  215.1823  261.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2725  214.4225  260.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4236  213.0466  260.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6529  212.4292  261.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8096  211.0613  261.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0034  215.1563  259.2752 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8960  216.5456  259.7333 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.2163  216.6174  261.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5039  217.1177  259.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3086  218.5734  259.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2381  216.9729  257.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4947  216.3402  260.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6115  215.3888  263.8795 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6506  215.4103  259.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.7706  214.8185  264.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
1.00274228,-179.70797127,-55.23678445,185.07366849,214.18137453,261.55274740
0.28574591,1.23754677,-2.46117839

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444184/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.16798

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.232016

>  <SCORE.INTRA.DIHEDRAL>
-0.290202

>  <SCORE.INTRA.DIHEDRAL.0>
0.441239

>  <SCORE.INTRA.POLAR>
0.0754097

>  <SCORE.INTRA.POLAR.0>
-0.0775919

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.343308

>  <SCORE.INTRA.VDW.0>
1.45733

>  <SCORE.INTRA.norm>
-0.0116008

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.308399

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 53 57  0  0  0  0  0  0  0  0999 V2000
  228.8462  188.3026  237.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0519  188.9778  237.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.5682  189.8917  238.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8823  190.1745  239.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6715  189.5377  239.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1610  188.5435  238.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3088  187.5015  239.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3995  187.0280  238.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3309  186.2300  238.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6217  185.5133  238.3022 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0303  186.5838  240.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8438  187.2117  240.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5994  187.5890  241.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4471  187.2031  242.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7664  186.8794  242.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0733  186.7772  241.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3102  187.2034  240.7084 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.9142  187.4153  244.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.5205  188.2151  245.2506 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.2384  189.7328  244.9394 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.7223  189.9827  245.1133 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.2516  189.5790  246.5241 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.7776  188.1954  246.9607 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.1452  187.9435  246.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6485  188.0303  248.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4774  188.9259  249.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6049  190.6277  247.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4084  191.3760  244.8935 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.6471  190.2086  243.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0561  190.1147  243.3989 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.4495  190.5840  241.9787 C   0  0  2  0  0  0  0  0  0  0  0  0
  226.7316  192.0927  241.9042 C   0  0  1  0  0  0  0  0  0  0  0  0
  227.6033  192.5371  243.0758 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.8947  192.1535  244.3780 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.8197  190.7230  244.4486 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.7035  192.6747  245.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.0057  192.0904  245.6194 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.8765  191.8694  242.9883 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.4191  192.4024  240.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.4778  190.1916  241.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5934  188.4935  242.1661 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9976  187.6777  239.6592 O   0  0  0  0  0  0  0  0  0  0  0  0
  231.7837  190.4811  237.9455 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2890  189.8325  248.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.2588  191.4758  247.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.7156  191.6075  243.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
  229.4710  192.4532  246.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
  229.3741  192.0505  243.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
  228.2899  191.9607  240.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.4704  189.2152  240.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.9798  189.1236  242.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.2844  188.2026  240.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
  232.1679  190.1856  237.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 19 18  1  6  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  6  0  0  0
 21 22  1  0  0  0  0
 21 28  1  1  0  0  0
 22 23  1  0  0  0  0
 22 27  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 30 29  1  1  0  0  0
 30 35  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 40  1  6  0  0  0
 32 33  1  0  0  0  0
 32 39  1  6  0  0  0
 33 34  1  0  0  0  0
 33 38  1  6  0  0  0
 34 35  1  0  0  0  0
 34 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 47  1  0  0  0  0
 38 48  1  0  0  0  0
 39 49  1  0  0  0  0
 40 50  1  0  0  0  0
 41 51  1  0  0  0  0
 42 52  1  0  0  0  0
 43 53  1  0  0  0  0
M  END
>  <CHROM.1>
2.39870157,-53.47789653,-171.68989700,-135.65712872,-122.90478985,79.54637269
-62.07045864,57.53696086,53.12826472,-65.51475004,53.92860668,178.08860453
-63.33833290,-65.11404982,-171.38769414,-61.38430910,179.75289613,225.84188815
189.27846601,242.53289573,0.82064425,-0.64000819,-2.14215173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444185/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.34509

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.288372

>  <SCORE.INTRA>
-20.7451

>  <SCORE.INTRA.DIHEDRAL>
-14.0868

>  <SCORE.INTRA.DIHEDRAL.0>
24.4696

>  <SCORE.INTRA.POLAR>
-2.44712

>  <SCORE.INTRA.POLAR.0>
-0.416273

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.38148

>  <SCORE.INTRA.VDW.0>
-0.36014

>  <SCORE.INTRA.norm>
-0.482444

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
-0.194072

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000444

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  197.0261  216.4839  259.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2432  215.1825  259.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1492  215.2544  260.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8690  215.8773  259.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8023  215.3250  260.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9267  217.2294  259.6268 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3500  218.5103  259.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2152  217.5849  258.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6814  217.8289  259.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5585  217.3518  259.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7333  218.9412  258.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9397  219.3236  257.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-179.97927097,194.26106943,216.89873816,259.40755102,-0.39601757,0.07906055
-0.39936599

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444194/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01008

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.490909

>  <SCORE.INTRA>
-0.38992

>  <SCORE.INTRA.DIHEDRAL>
2.79027e-06

>  <SCORE.INTRA.DIHEDRAL.0>
3.46187e-08

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.389921

>  <SCORE.INTRA.VDW.0>
0.325434

>  <SCORE.INTRA.norm>
-0.0354472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.455462

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.080213

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  195.6748  212.0517  259.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4793  211.2782  259.8555 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3601  210.2534  258.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6958  209.1225  259.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5356  207.9966  258.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0412  207.9875  257.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6667  209.1525  256.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8236  210.2688  257.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9864  206.7505  256.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8330  206.6781  255.4859 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.8953  207.5158  254.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.9885  205.8875  254.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4741  206.6128  256.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5750  207.6859  255.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9845  209.1015  255.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4653  209.9673  254.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2384  210.8809  255.4178 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7792  210.9972  256.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0282  212.0045  257.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4307  211.8650  258.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6850  210.7280  259.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5068  209.6927  258.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0157  209.8495  256.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9764  211.4420  255.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
145.71664244,96.71588303,57.76398908,128.47023628,-64.44423873,112.03487406
192.71961039,209.55574009,257.39076329,-1.09551647,0.46985804,-2.57892174

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444196/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61469

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-4.78531

>  <SCORE.INTRA.DIHEDRAL>
-0.0439595

>  <SCORE.INTRA.DIHEDRAL.0>
5.88663

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.76333

>  <SCORE.INTRA.VDW.0>
0.18657

>  <SCORE.INTRA.norm>
-0.227872

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.314985

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000191

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  188.9212  218.0967  258.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1953  219.2476  258.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6209  220.0268  256.5820 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.7618  218.8094  256.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8397  217.8553  257.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4931  218.9112  254.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4313  219.8791  254.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3862  217.7871  254.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2195  217.9576  253.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0548  216.9193  252.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0684  215.7013  253.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2475  215.5395  254.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3807  216.5603  255.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9542  214.6030  253.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1994  214.7093  253.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2256  213.7332  253.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3752  213.8108  253.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8385  212.6653  252.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5576  212.6490  251.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5580  213.5788  252.3372 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2630  213.4992  251.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2182  214.4090  251.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0060  214.3782  251.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7770  213.3718  250.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7411  212.4066  250.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9742  212.4798  250.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6142  213.3301  249.6510 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.7823  211.6453  251.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9576  211.6023  252.2431 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2424  210.7398  251.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8729  210.0553  250.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
6.35159220,-171.74162568,84.69758486,0.70406099,-3.40374622,-179.88159868
192.25983750,215.37348860,253.45575366,-2.23582896,0.29467752,-2.32553288

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444197/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.40702

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-2.99298

>  <SCORE.INTRA.DIHEDRAL>
-8.86354

>  <SCORE.INTRA.DIHEDRAL.0>
14.1468

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.43879

>  <SCORE.INTRA.VDW.0>
-1.56151

>  <SCORE.INTRA.norm>
-0.0997661

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.246901

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021778

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  210.4195  207.7999  266.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4994  207.7691  264.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4883  206.7861  264.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5329  206.7122  262.7324 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.8527  206.1151  262.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8540  205.9304  260.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6585  205.0943  260.2444 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.3450  205.7228  260.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3322  205.8964  262.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7229  204.9566  258.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6787  203.9962  258.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7659  203.8731  256.6324 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0633  203.1803  256.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1111  203.0025  254.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8806  202.2332  254.2040 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.5807  202.9460  254.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5238  203.1344  256.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9401  201.9302  252.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9583  200.5832  252.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9151  200.2342  251.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9563  201.2205  250.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9840  202.5610  250.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9563  202.9202  251.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0313  203.5213  249.4610 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.9805  200.8841  248.7230 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.8887  198.8726  250.5799 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8272  197.6429  251.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7117  197.5479  252.9379 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.7835  196.1840  250.2902 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.0337  196.8889  248.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0155  195.7732  247.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  6  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  6  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.74292697,66.50615022,172.76942255,-179.86494257,67.52464598,118.04326394
3.87422000,2.19952866,6.26964464,-179.41906875,209.14168603,202.19842120
255.16202661,-0.04065291,1.51160659,2.62441538

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444198/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.2635

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496774

>  <SCORE.INTRA>
-1.13647

>  <SCORE.INTRA.DIHEDRAL>
-1.7299

>  <SCORE.INTRA.DIHEDRAL.0>
3.28314

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.27152

>  <SCORE.INTRA.VDW.0>
-0.410515

>  <SCORE.INTRA.norm>
-0.0366603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.460114

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000585

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  195.6347  219.0292  248.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7861  217.8166  248.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8935  216.7186  249.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7805  217.9217  247.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5734  217.9136  245.8295 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
71.83109218,194.70459218,217.90210723,247.46591250,-1.18039405,-1.04038462
-1.18037536

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444199/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29642

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-0.103583

>  <SCORE.INTRA.DIHEDRAL>
0.154776

>  <SCORE.INTRA.DIHEDRAL.0>
0.243905

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.180971

>  <SCORE.INTRA.VDW.0>
-0.00173362

>  <SCORE.INTRA.norm>
-0.0207165

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.25928

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028455

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  218.6711  184.7260  244.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7847  184.7183  245.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0195  184.1352  245.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1067  184.0744  245.5975 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8705  183.6882  243.7439 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7283  183.7716  243.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6831  183.4248  241.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6413  184.2767  243.6531 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8498  185.2813  246.9790 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9189  186.7539  247.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1662  187.3793  246.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6777  186.7391  247.1769 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.3188  184.5556  248.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9393  183.1661  248.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7091  183.2383  248.5928 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.6878  183.3226  243.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7944  184.3651  243.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-75.69035800,-61.95689240,56.74242494,-59.00330561,59.74899234,220.66879865
184.70732951,246.09859294,2.48892254,-1.09445730,-0.96413033

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444200/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.00615

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-1.39385

>  <SCORE.INTRA.DIHEDRAL>
-0.205368

>  <SCORE.INTRA.DIHEDRAL.0>
2.24444

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.29117

>  <SCORE.INTRA.VDW.0>
-2.0466

>  <SCORE.INTRA.norm>
-0.0929234

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.60041

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001537

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  198.3246  214.8098  263.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8634  215.7032  264.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2071  216.9057  264.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9959  217.2196  264.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4446  216.2645  263.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1009  215.0900  262.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0412  218.7201  264.3784 P   0  0  0  0  0  0  0  0  0  0  0  0
  196.0194  218.6057  266.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1568  217.4563  266.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7297  216.6207  265.9007 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7713  217.4459  268.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3096  217.6811  268.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6369  217.0580  269.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7584  218.6583  267.5447 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0632  219.9428  263.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8431  220.8944  264.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5346  221.8512  263.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4336  221.8706  262.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7117  220.9027  261.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0666  219.9269  262.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3482  219.3009  264.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9872  220.6415  264.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6454  221.0318  264.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6127  220.1046  264.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9196  218.7730  264.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2592  218.3883  264.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2839  219.4682  267.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9335  218.4111  267.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-54.49072728,-102.90089617,-177.90062728,10.35927109,111.25124430,138.29739862
-30.72091726,195.57332970,218.51723892,264.76577088,-0.48794296,-0.54399073
2.62970593

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444201/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.91045

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-5.48955

>  <SCORE.INTRA.DIHEDRAL>
-4.82541

>  <SCORE.INTRA.DIHEDRAL.0>
22.8286

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.07685

>  <SCORE.INTRA.VDW.0>
-3.17201

>  <SCORE.INTRA.norm>
-0.211137

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.265786

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000505

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  211.3914  187.2496  250.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3954  187.0334  252.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1283  188.2479  253.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9000  188.9151  252.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9635  189.2642  251.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1744  188.0314  250.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9484  187.2605  250.0418 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6544  186.0039  250.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3734  185.7677  250.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7292  184.5512  250.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4062  183.5816  251.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7037  183.8607  251.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3525  185.0692  251.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7642  182.2514  251.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5419  182.0774  250.8538 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.5244  181.1990  251.0165 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.5759  182.0694  252.7665 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.9416  186.8529  249.3394 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9101  187.7553  249.3368 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0048  187.8101  254.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6702  187.1809  254.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7750  187.9469  255.3260 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3786  185.8395  254.7785 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9560  185.4368  254.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9110  183.9743  255.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2521  183.5552  254.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6438  182.2593  254.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9525  182.0639  253.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8484  183.1478  253.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4434  184.4538  254.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1196  184.6662  254.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-78.92205556,15.23909354,3.11880056,-88.35661754,208.95899586,185.26497018
252.38347359,0.74303781,-0.90606359,-0.62966417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444210/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.77103

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-2.62897

>  <SCORE.INTRA.DIHEDRAL>
0.257588

>  <SCORE.INTRA.DIHEDRAL.0>
4.63288

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.75777

>  <SCORE.INTRA.VDW.0>
-1.58221

>  <SCORE.INTRA.norm>
-0.0848056

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.21842

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000243

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  205.5725  194.8774  254.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1774  193.5512  254.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7924  192.7258  253.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7981  193.2076  252.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1644  194.5607  252.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5651  195.3784  253.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5238  192.2273  251.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2168  193.0333  250.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6348  193.1504  248.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3048  193.7697  247.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5689  194.3093  248.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1486  194.2658  249.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4773  193.6533  250.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6249  191.3120  252.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5017  191.1558  253.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4032  190.4255  254.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4553  189.7650  253.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5758  189.8176  252.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6792  190.5626  251.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0084  190.3314  249.8620 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.4460  191.3499  250.7633 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5250  189.9739  250.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3286  189.5901  250.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4899  190.6538  249.9135 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1709  191.6818  250.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
160.63171347,-100.12022770,20.48123317,-136.60680159,207.85522755,192.08593369
251.30652057,-2.82034313,0.72182820,-1.11694172

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444211/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.3294

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.0706

>  <SCORE.INTRA.DIHEDRAL>
-0.550027

>  <SCORE.INTRA.DIHEDRAL.0>
4.94503

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.795588

>  <SCORE.INTRA.VDW.0>
-4.00243

>  <SCORE.INTRA.norm>
-0.0428241

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.333176

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002469

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  212.4014  156.3497  242.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8231  157.3473  243.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6623  157.0317  244.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1018  155.7142  244.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6568  154.7241  243.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8181  155.0379  242.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9878  155.3933  245.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4411  154.1154  245.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2618  153.9239  246.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5874  154.9357  247.7809 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1129  156.1308  247.4497 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.3395  156.4200  246.4100 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4320  157.0885  248.1960 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.8444  152.6087  247.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6936  152.4537  248.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2641  151.2159  248.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9987  150.1043  247.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1642  150.2281  246.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5953  151.4664  246.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
>  <CHROM.1>
-179.89522551,179.10034792,215.55230992,154.38054007,246.06270509,2.72497709
-0.92274780,0.33047331

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444212/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.73283

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.667167

>  <SCORE.INTRA.DIHEDRAL>
-2.67018

>  <SCORE.INTRA.DIHEDRAL.0>
2.67096

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.667924

>  <SCORE.INTRA.VDW.0>
-0.291862

>  <SCORE.INTRA.norm>
-0.035114

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.35436

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005946

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  196.3247  208.7865  247.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9361  208.3343  246.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8228  207.0952  246.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2153  207.3792  247.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8816  208.4653  246.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2217  209.4238  245.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8223  210.2258  245.1214 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2244  210.1597  244.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8516  210.7535  243.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1745  210.7048  243.6465 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8991  210.0496  244.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4365  209.4806  245.6811 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0974  209.5527  245.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5034  208.8226  247.3765 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.0924  211.3843  242.8787 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6998  209.5119  245.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6685  206.3886  248.1678 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3218  205.1615  247.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5811  205.5557  247.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5596  205.8307  245.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7151  206.2686  244.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8979  206.4421  245.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9292  206.1767  247.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7764  205.7393  247.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7819  207.9130  245.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3340  211.0297  241.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1052  211.3129  243.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9970  206.7259  249.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
85.50314306,-127.41874788,60.95076570,-87.55921500,200.68865024,208.27124901
246.10344783,2.83661990,-0.17616801,2.56475736

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444213/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.69396

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-3.70604

>  <SCORE.INTRA.DIHEDRAL>
-0.942766

>  <SCORE.INTRA.DIHEDRAL.0>
3.22038

>  <SCORE.INTRA.POLAR>
-0.157052

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.70068

>  <SCORE.INTRA.VDW.0>
-1.86734

>  <SCORE.INTRA.norm>
-0.148242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.227758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000424

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 68 70  0  0  0  0  0  0  0  0999 V2000
  182.1757  215.8228  261.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6248  216.0850  261.6151 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.1704  214.8089  261.0191 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.4954  214.4099  259.7089 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.9218  214.5109  259.6407 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.2741  215.4306  260.7638 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.0017  214.9405  261.3261 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.8324  215.3554  261.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4182  216.3683  260.2862 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.7938  214.6814  261.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.5121  214.1550  258.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.3526  212.9389  257.5680 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.5566  212.1471  257.0465 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.3313  211.7301  258.2878 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.4705  211.1171  259.4325 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.9763  211.5422  259.4767 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.4655  212.0054  258.2277 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.0225  210.5036  260.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6463  211.0198  260.2543 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.2568  211.3938  261.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9168  211.4227  262.5931 N   0  0  0  0  0  0  0  0  0  0  0  0
  176.9994  211.8616  261.5740 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.7315  209.7109  259.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4868  210.9346  257.9918 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.0840  213.0006  256.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2586  213.4355  255.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3958  213.3128  256.4466 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.4490  214.0453  254.5487 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.3036  214.7533  258.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.3635  216.1601  258.1757 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.4224  216.6608  257.1498 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.9102  216.7313  255.6882 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.4287  217.1693  255.5077 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.5199  216.7131  256.6574 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.1103  216.8046  257.9567 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0870  217.2201  256.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4964  216.7121  258.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3545  218.5624  255.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7811  217.6029  254.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6875  215.9808  257.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5633  215.0239  260.8296 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7794  217.1890  260.6569 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8709  217.8662  260.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9891  217.7480  261.3719 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0067  218.8479  259.7052 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.9978  217.1767  260.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
  178.8988  216.5409  259.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
  176.9372  215.0518  261.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
  177.7733  214.6908  262.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
  179.8823  211.1407  262.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
  178.4543  211.7139  263.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
  176.5428  211.4141  262.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
  176.9248  212.8660  261.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.7068  209.6248  259.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.0514  211.5259  257.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.5927  214.1453  257.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.1952  213.0256  255.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.9109  213.4077  253.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.6416  214.4763  254.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.5589  215.7395  257.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.9060  218.7354  254.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.6622  217.1771  254.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.3425  216.5201  256.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.8838  215.0193  261.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.9494  218.1139  262.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.5085  216.8832  261.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.2631  219.7323  260.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.2762  218.9484  259.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 42  1  6  0  0  0
  3  4  1  0  0  0  0
  3 41  1  6  0  0  0
  4  5  1  0  0  0  0
  4 29  1  6  0  0  0
  5  6  1  0  0  0  0
  5 11  1  6  0  0  0
  6  7  1  1  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  6  0  0  0
 14 15  1  0  0  0  0
 14 24  1  6  0  0  0
 15 16  1  0  0  0  0
 15 23  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 30 29  1  6  0  0  0
 30 35  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 40  1  6  0  0  0
 32 33  1  0  0  0  0
 32 39  1  6  0  0  0
 33 34  1  0  0  0  0
 33 38  1  1  0  0  0
 34 35  1  0  0  0  0
 34 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 60  1  0  0  0  0
 38 61  1  0  0  0  0
 39 62  1  0  0  0  0
 40 63  1  0  0  0  0
 41 64  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 44 65  1  0  0  0  0
 44 66  1  0  0  0  0
 45 67  1  0  0  0  0
 45 68  1  0  0  0  0
M  END
>  <CHROM.1>
154.35133806,71.09595300,-75.31992806,77.67116924,125.14525927,-111.27049332
-172.89091975,-74.49152873,129.67727578,62.11444123,54.05414628,174.39223837
-103.69884291,131.29447013,-98.98048825,-101.85115926,167.66779710,-164.33905667
63.75122193,55.24907594,-176.13121572,-56.14593491,-76.48492568,126.32709920
182.53011942,214.60743393,258.83559498,2.80776888,-0.74940477,-2.73774401

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444214/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-14.343

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.497778

>  <SCORE.INTRA>
-36.743

>  <SCORE.INTRA.DIHEDRAL>
-40.6263

>  <SCORE.INTRA.DIHEDRAL.0>
59.3487

>  <SCORE.INTRA.POLAR>
-3.13126

>  <SCORE.INTRA.POLAR.0>
-2.50659

>  <SCORE.INTRA.REPUL>
0.261269

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.08993

>  <SCORE.INTRA.VDW.0>
-6.95715

>  <SCORE.INTRA.norm>
-0.816511

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
-0.318733

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.113301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  199.3813  189.4715  245.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6079  190.9419  245.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0274  191.7332  246.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2058  193.1110  245.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9799  193.7178  244.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5718  192.9281  243.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3893  191.5491  243.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0790  195.4907  244.5266 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.6140  195.9620  245.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3687  195.7809  244.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2047  196.1741  245.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0401  196.0454  245.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5060  196.6905  246.9364 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7563  196.8630  247.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7368  196.5167  246.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0023  195.0776  243.3163 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.7270  196.9516  247.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-73.69458008,-70.54087229,198.40611840,194.42800803,245.07363070,0.95391563
0.52944628,-2.62219688

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444215/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.52394

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.87606

>  <SCORE.INTRA.DIHEDRAL>
-0.937383

>  <SCORE.INTRA.DIHEDRAL.0>
4.54552

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.407368

>  <SCORE.INTRA.VDW.0>
-1.13359

>  <SCORE.INTRA.norm>
-0.0547537

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.407746

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000170

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  200.9880  202.5836  253.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9596  202.0062  252.0190 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.5027  202.3724  250.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4783  203.2008  250.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7977  203.9019  251.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5182  203.9726  252.6140 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.6454  204.8572  252.5487 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2646  206.1954  252.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1377  206.7231  251.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7956  206.0474  249.8857 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6421  206.4652  248.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2688  205.6737  247.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5306  204.2860  247.7552 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0553  203.2889  248.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0575  202.2803  248.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6816  204.5336  248.5114 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1628  204.8185  247.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1549  205.7884  247.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6461  206.1927  245.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1150  205.6123  244.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0612  204.5974  244.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5744  204.1994  246.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4284  203.1374  245.9410 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1030  200.5036  252.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2234  199.7812  252.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9618  198.3868  252.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6477  198.0867  252.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7431  199.4776  251.9690 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.1552  203.8385  246.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9294  205.3170  249.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1407  202.4851  246.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  6  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 31  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-114.20772676,37.94419050,-175.81740237,-130.81769281,70.11180550,-177.01507918
177.77609237,-63.86696068,172.33783197,142.83664430,45.88682960,200.81641384
203.40232802,249.71011006,-0.80355776,-1.16202343,-0.14524958

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444216/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.95045

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-4.44955

>  <SCORE.INTRA.DIHEDRAL>
15.1188

>  <SCORE.INTRA.DIHEDRAL.0>
5.36109

>  <SCORE.INTRA.POLAR>
-1.79651

>  <SCORE.INTRA.POLAR.0>
-0.335505

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.90082

>  <SCORE.INTRA.VDW.0>
-0.475689

>  <SCORE.INTRA.norm>
-0.158912

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.355373

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  200.6289  214.3436  245.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4012  214.4753  246.9994 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7042  214.7005  247.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5205  214.8405  249.2531 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6322  213.7157  250.2227 Si  0  0  0  0  0  0  0  0  0  0  0  0
  198.7862  213.6871  249.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2924  212.5973  248.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9933  212.6036  248.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1432  213.6806  248.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5904  214.7433  249.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8953  214.7495  249.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3027  211.9479  249.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6487  211.5062  248.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0269  210.1776  248.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1088  209.2749  249.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8292  209.6966  250.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4307  211.0188  250.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6817  214.2499  252.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1339  214.1798  252.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1794  215.7055  252.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8257  213.3093  253.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4814  215.5327  247.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0912  215.7467  249.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6253  215.2595  246.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
179.66313144,65.35885391,51.36314501,-61.93346802,105.71877437,-40.97489735
-64.09774794,200.14302754,213.31528751,249.57517629,-2.80612106,-0.82824561
1.32056438

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444217/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.09677

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-2.30323

>  <SCORE.INTRA.DIHEDRAL>
0.0657233

>  <SCORE.INTRA.DIHEDRAL.0>
2.73661

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.33609

>  <SCORE.INTRA.VDW.0>
-3.62379

>  <SCORE.INTRA.norm>
-0.104692

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.41349

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001820

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  196.3577  196.4483  243.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8821  197.6949  242.7207 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.1328  197.2128  241.9972 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6764  196.1808  242.8490 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6213  195.6562  243.6838 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.4761  194.2847  243.4002 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6120  193.2886  243.9077 P   0  0  0  0  0  0  0  0  0  0  0  0
  198.8532  193.2419  245.3795 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1275  191.9187  243.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9071  193.6259  243.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8832  196.6472  240.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0203  195.5156  240.5997 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2304  198.6429  243.7381 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2806  191.6351  243.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9415  194.5845  242.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3627  194.9111  241.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5446  199.4584  243.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  1  0  0  0
  3  4  1  0  0  0  0
  3 11  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
-178.34562923,-60.66666022,-169.08966504,59.81309010,-65.85275186,34.84464214
-48.84724708,197.98741746,195.17753303,243.05239244,3.04759600,1.28892993
-1.80457372

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444219/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.58175

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-4.81825

>  <SCORE.INTRA.DIHEDRAL>
0.205054

>  <SCORE.INTRA.DIHEDRAL.0>
2.65752

>  <SCORE.INTRA.POLAR>
-1.16801

>  <SCORE.INTRA.POLAR.0>
-0.382874

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.949536

>  <SCORE.INTRA.VDW.0>
-0.805266

>  <SCORE.INTRA.norm>
-0.370635

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.275519

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.109169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  214.5822  188.5822  247.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2826  188.5237  246.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7039  187.2284  247.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2986  186.8973  246.3812 P   0  0  1  0  0  0  0  0  0  0  0  0
  210.2662  187.9811  246.5191 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8250  186.6948  244.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5620  185.0416  246.9929 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.9170  185.2156  248.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8229  186.0515  249.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5741  185.5076  249.6514 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.3303  183.7790  250.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9491  182.7731  249.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4473  182.7373  247.8256 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5157  182.8808  246.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9505  182.9214  245.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3853  184.1424  246.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6063  181.5089  247.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3302  180.1769  247.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2504  181.5153  248.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  6  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
179.63981618,-43.44186463,74.14307151,-42.67934588,-52.34947223,-58.50974879
122.95960162,-60.41584651,126.17630023,-176.66846427,-58.65107396,212.03109994
184.95149271,247.59955701,-1.33159968,1.51379725,2.70514420

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444220/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.29953

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.863158

>  <SCORE.INTRA>
-9.10047

>  <SCORE.INTRA.DIHEDRAL>
-6.95524

>  <SCORE.INTRA.DIHEDRAL.0>
12.8162

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.62285

>  <SCORE.INTRA.VDW.0>
3.31048

>  <SCORE.INTRA.norm>
-0.478972

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.384186

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  216.9408  180.3132  243.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5454  179.4067  244.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5139  178.4981  244.6378 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8541  177.6446  243.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2049  178.5288  242.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1503  179.5636  241.9702 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.0174  178.9748  240.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7554  179.3589  239.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4910  178.8285  238.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4986  177.9139  238.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7860  177.5171  240.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0453  178.0581  241.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5946  178.0472  245.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7655  178.5487  246.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9267  178.1714  248.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9355  177.2651  248.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7656  176.7303  247.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5713  177.1286  246.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1896  176.8221  250.3254 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.9962  176.1420  250.7885 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4982  176.2538  250.4992 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1652  178.3255  251.1268 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4871  179.0283  251.2405 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.2117  179.3227  249.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6485  179.9741  248.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1881  179.6212  247.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1726  180.7714  246.7518 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9430  181.3216  246.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1932  182.1758  246.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9496  182.5496  246.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5386  182.1598  247.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3536  181.3639  248.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5832  180.8715  248.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3314  180.2757  252.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8856  180.4689  253.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4507  181.1476  251.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7511  178.1036  252.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.9666  181.2849  246.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.3798  181.9212  252.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  6  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 25 33  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 38  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <CHROM.1>
104.49363231,-122.90515139,63.87729979,-88.88561454,57.43885629,49.48515767
116.93098868,-150.29195578,179.11759351,217.33920019,179.04031416,246.68306087
-2.94348404,1.52096181,2.91972217

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444221/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27979

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-5.12021

>  <SCORE.INTRA.DIHEDRAL>
-1.914

>  <SCORE.INTRA.DIHEDRAL.0>
8.41769

>  <SCORE.INTRA.POLAR>
0.391526

>  <SCORE.INTRA.POLAR.0>
-0.391526

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.49439

>  <SCORE.INTRA.VDW.0>
-3.86445

>  <SCORE.INTRA.norm>
-0.142228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.229994

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000981

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 59 60  0  0  0  0  0  0  0  0999 V2000
  210.2786  201.6950  240.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8460  200.5802  239.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2899  199.3112  239.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2745  199.1771  240.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6973  200.2898  241.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1763  201.5570  241.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4637  202.7605  242.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9676  203.8500  241.9997 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2780  202.5811  243.3585 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6243  203.6481  244.3073 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.1572  204.8911  243.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4810  204.6674  242.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3955  203.6211  241.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8864  202.5077  241.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6810  203.9945  240.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3173  203.9070  245.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2775  204.2194  244.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3971  203.7509  246.4226 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5557  198.1759  239.5328 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5981  196.9995  240.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5441  196.9569  241.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5678  198.0209  242.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4674  199.5214  242.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6006  200.2231  241.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5383  201.6175  241.7562 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1495  202.2738  242.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9807  201.6847  243.5667 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9645  200.3261  243.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9553  199.6530  244.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6928  203.5232  243.0834 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6012  199.5834  240.9417 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2005  198.1320  238.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3284  199.1079  237.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6037  196.8274  237.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6220  195.9639  236.3426 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.7392  197.2070  235.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4004  197.7151  234.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8259  197.1220  233.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9041  198.8589  235.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5550  199.3945  234.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5107  198.7813  235.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9462  198.9603  237.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0568  198.3458  238.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7794  198.9061  238.4251 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3787  200.5521  238.7756 P   0  0  0  0  0  0  0  0  0  0  0  0
  204.0582  200.5013  240.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8270  200.1317  239.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9780  202.1982  239.1262 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8043  201.7169  243.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6093  203.3215  239.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5816  203.8864  246.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6334  201.9878  241.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8270  203.5351  243.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.3927  204.0485  243.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7889  200.1769  240.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.9459  199.3047  240.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4491  199.2225  235.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8050  199.2305  239.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4826  202.4041  238.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  6  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 57  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 45 48  1  0  0  0  0
 47 58  1  0  0  0  0
 48 59  1  0  0  0  0
M  END
>  <CHROM.1>
-149.73260124,-2.74757857,-51.66630233,-65.23571383,-57.40564815,61.82323369
-106.93408350,-179.22938017,-178.51057211,84.96340249,-64.05433802,56.41431733
51.33015628,151.96376162,77.76682182,-115.27135819,-60.48952865,-55.82760935
-87.91130087,84.74309415,56.72287624,-177.05960737,-65.83145956,-58.83499019
-62.10905216,31.63091930,65.63488383,208.84274532,200.42352118,240.27698779
-0.95395087,-0.00562281,-2.20040397

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444222/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.4034

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.591667

>  <SCORE.INTRA>
-33.8034

>  <SCORE.INTRA.DIHEDRAL>
-9.70498

>  <SCORE.INTRA.DIHEDRAL.0>
28.3934

>  <SCORE.INTRA.POLAR>
-3

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-18.7509

>  <SCORE.INTRA.VDW.0>
5.02248

>  <SCORE.INTRA.norm>
-0.704238

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
-0.112571

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037683

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  207.4481  186.8335  245.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0360  188.0897  244.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5773  189.3490  244.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6927  190.5083  244.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9484  190.3655  243.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7675  189.3898  242.1084 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2194  188.0926  242.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8246  187.7372  243.2921 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8909  187.1179  241.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8716  185.6459  241.3426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.1617  186.7046  241.1569 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.9862  185.5701  244.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6238  184.3166  244.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0157  184.0951  244.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9023  185.1874  244.7148 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4014  185.3268  245.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0778  184.5516  246.9092 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4057  186.4565  246.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5968  186.4312  244.8875 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.5775  188.0290  246.2547 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.5308  189.7020  241.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.9615  185.9839  244.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
-176.22706334,168.59194577,156.52603218,-79.38845671,78.03158663,-97.67677307
166.57373678,-82.98279960,62.29435773,73.99305969,-45.67139364,209.28184814
186.92242826,243.92709947,-3.03954508,0.94075080,-2.81782841

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444223/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.251

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.82

>  <SCORE.INTRA>
-3.14899

>  <SCORE.INTRA.DIHEDRAL>
8.07985

>  <SCORE.INTRA.DIHEDRAL.0>
3.58277

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.78892

>  <SCORE.INTRA.VDW.0>
-3.66629

>  <SCORE.INTRA.norm>
-0.15745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.66255

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002336

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  217.6844  180.7293  245.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4088  180.0219  244.1818 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.9230  178.6137  243.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6886  179.7065  242.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8965  180.3057  242.5705 Br  0  0  0  0  0  0  0  0  0  0  0  0
  218.6113  179.5014  241.1921 Br  0  0  0  0  0  0  0  0  0  0  0  0
  219.9150  180.2858  244.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4592  181.4234  243.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8401  181.6279  243.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7081  180.7141  244.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1925  179.6119  244.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8149  179.4048  244.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-84.82438742,218.46084886,180.04308943,242.89080655,0.33380505,-0.01200829
1.34553168

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444224/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39379

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.00620504

>  <SCORE.INTRA.DIHEDRAL>
-0.00033872

>  <SCORE.INTRA.DIHEDRAL.0>
0.725703

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00603568

>  <SCORE.INTRA.VDW.0>
-1.10482

>  <SCORE.INTRA.norm>
-0.000517086

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.532816

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002820

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  180.2659  213.9334  260.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2399  215.0892  260.5690 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.8253  215.1439  261.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9246  216.5225  262.2542 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  182.5399  215.0339  259.3323 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  179.7366  214.0064  259.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.7819  215.2751  258.6797 P   0  0  0  0  0  0  0  0  0  0  0  0
  179.9524  216.3565  258.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.5417  217.7162  258.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7723  218.5808  257.9435 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.8500  218.5365  259.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2843  219.0964  260.6265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  181.4450  218.1381  256.3397 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  178.4456  214.9095  257.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.4327  215.6937  256.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.3710  215.3550  255.0112 C   0  0  1  0  0  0  0  0  0  0  0  0
  178.5997  215.7964  254.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1226  215.0421  254.7523 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  177.0673  213.5956  254.8096 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  6  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  6  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  1  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
177.55321814,-66.41868251,-178.44212273,81.63574279,-171.27846089,170.60715217
-178.56022404,-59.28213245,-60.03006438,172.30472046,-68.13502120,61.03890783
180.26141311,216.02264622,258.14415939,0.33814227,0.96901413,2.38856676

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444225/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.7224

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.915789

>  <SCORE.INTRA>
-2.67756

>  <SCORE.INTRA.DIHEDRAL>
0.806548

>  <SCORE.INTRA.DIHEDRAL.0>
1.47264

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.08083

>  <SCORE.INTRA.VDW.0>
-3.52962

>  <SCORE.INTRA.norm>
-0.140924

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.774865

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.090764

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  206.8905  199.6228  232.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3811  198.4879  232.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5030  197.2929  232.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3728  196.4744  232.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3866  195.2216  233.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5428  194.7641  234.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6733  195.5883  234.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6549  196.8430  233.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5219  193.4049  234.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4344  192.6936  234.5688 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4665  191.4369  235.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5175  190.4427  235.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1435  189.3427  235.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4139  189.6484  236.1343 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6091  190.9207  235.7245 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7616  191.6914  235.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7815  192.9300  235.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9548  191.1308  236.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0474  191.9265  236.5732 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.6562  190.7714  237.7833 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.3602  189.9878  235.8852 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.5770  187.9935  236.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4642  187.7257  235.5475 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3196  187.0126  236.6648 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5801  187.1725  237.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6501  186.2498  236.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1995  184.8812  236.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9877  184.7387  236.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8694  185.6217  236.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9246  190.5294  234.5873 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
135.90746553,-0.19887618,2.54795685,179.98435055,206.37805022,191.29491229
235.26164001,-1.50497938,0.32827343,2.81016600

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444234/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.94071

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-1.45929

>  <SCORE.INTRA.DIHEDRAL>
-2.2465

>  <SCORE.INTRA.DIHEDRAL.0>
5.47889

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.336044

>  <SCORE.INTRA.VDW.0>
0.378644

>  <SCORE.INTRA.norm>
-0.0486431

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.26469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012391

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  215.3458  185.2747  250.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4302  184.8955  249.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8622  183.6186  249.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1210  183.1902  248.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9636  184.0121  246.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4497  185.3199  246.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1765  185.7594  248.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3348  183.4406  245.8276 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1820  182.6654  246.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4977  182.7030  247.1238 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9550  181.6280  245.0344 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.7009  182.3901  243.5602 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.8237  183.3810  244.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9500  183.8602  243.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1496  183.7090  242.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3548  183.6403  241.3689 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1367  184.4412  244.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6345  185.5000  244.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5658  183.8082  245.7769 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7098  184.3420  246.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0596  184.1656  245.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4237  182.7374  245.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9629  181.9073  246.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3231  180.5914  246.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1536  180.0926  244.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6311  180.9115  243.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2724  182.2291  244.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6398  180.3335  245.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1487  180.2974  245.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7748  180.5001  246.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1661  180.5594  246.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9522  180.4062  245.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3448  180.1303  244.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9520  180.0501  244.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9158  180.8357  248.4603 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.1283  182.9645  246.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  3  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
43.92372838,-68.94321408,-132.03468881,-70.58071622,-57.53037413,-80.67223485
99.62969114,214.72938308,182.60186345,245.90244522,-0.06067580,-0.17601642
1.13514913

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444235/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01194

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.354286

>  <SCORE.INTRA>
-7.38806

>  <SCORE.INTRA.DIHEDRAL>
0.2549

>  <SCORE.INTRA.DIHEDRAL.0>
16.1082

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.51551

>  <SCORE.INTRA.VDW.0>
-3.90013

>  <SCORE.INTRA.norm>
-0.211087

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.143198

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000090

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  215.2282  187.6257  250.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4169  187.6465  249.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5185  186.3852  248.5402 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5720  186.2422  247.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0540  186.6079  246.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6674  185.3271  248.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8147  184.0671  248.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9401  183.0082  248.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8841  183.1927  249.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7171  184.4252  250.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6062  185.4729  249.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-91.12483016,-93.88526307,-174.10152216,213.82480503,185.52666137,248.78108241
0.30329299,0.85802341,0.91511240

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444236/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.11301

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-1.28699

>  <SCORE.INTRA.DIHEDRAL>
-4.56485

>  <SCORE.INTRA.DIHEDRAL.0>
9.46112

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.995434

>  <SCORE.INTRA.VDW.0>
0.766612

>  <SCORE.INTRA.norm>
-0.116999

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.646637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024080

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  221.0505  183.1991  250.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3105  184.1362  251.4365 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.3986  184.9958  251.9936 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5295  185.0091  250.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3299  182.6658  249.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.8663  184.4159  249.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
-176.50344599,68.40596276,220.49715561,184.27662317,251.09012829,-2.34602866
-0.62842744,0.65703256

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444237/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.6723

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-0.727696

>  <SCORE.INTRA.DIHEDRAL>
-1.42566

>  <SCORE.INTRA.DIHEDRAL.0>
1.46819

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0148642

>  <SCORE.INTRA.VDW.0>
-0.021857

>  <SCORE.INTRA.norm>
-0.181924

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.16808

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.210154

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 46  0  0  0  0  0  0  0  0999 V2000
  193.3025  206.8802  239.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3457  205.8102  239.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3634  205.3742  240.7834 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2632  204.4067  241.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0767  203.9253  240.3261 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1454  204.1020  242.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0805  203.3538  243.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0223  203.1242  244.5389 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0476  203.6151  245.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0065  204.3376  244.7106 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9549  204.7059  243.2912 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.6167  204.2684  242.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2594  202.9126  242.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0376  202.5890  241.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1870  203.5784  241.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5445  204.9150  241.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7433  205.2572  242.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0472  203.1031  240.8557 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5749  203.8143  239.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1351  201.9609  243.0036 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7086  201.2346  244.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0835  204.7634  245.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1166  205.4892  245.4467 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4243  204.2233  246.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6089  204.3843  248.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9576  203.9939  249.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1961  204.0120  250.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0304  203.5992  251.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2697  203.3499  251.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2145  203.5595  249.7059 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5376  202.8457  251.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4730  201.9960  252.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6141  201.3880  253.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8529  201.6232  252.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9475  202.4696  251.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8033  203.0904  250.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0641  203.9448  249.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9847  203.7270  249.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2446  205.0217  249.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5004  205.9272  248.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9254  203.3887  246.9147 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.3009  202.6857  242.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  2  0  0  0  0
  9 41  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <CHROM.1>
179.44993689,2.87780953,-167.94866288,55.82142747,110.17379552,-143.71356617
-175.14763704,26.87888933,-149.23691045,176.34970536,194.15214381,203.78663497
245.69467910,-1.90370334,0.03363578,1.69751165

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444238/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.63991

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.366667

>  <SCORE.INTRA>
-10.7601

>  <SCORE.INTRA.DIHEDRAL>
-9.60062

>  <SCORE.INTRA.DIHEDRAL.0>
23.2758

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.498855

>  <SCORE.INTRA.REPUL.0>
0.498855

>  <SCORE.INTRA.VDW>
-3.46551

>  <SCORE.INTRA.VDW.0>
1.2437

>  <SCORE.INTRA.norm>
-0.256193

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.110474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000135

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  196.2734  223.3927  256.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4171  222.3410  257.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0684  222.3617  256.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5949  223.4762  256.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4676  224.5000  255.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8087  224.4538  256.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9999  225.6081  254.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6481  225.7851  254.9086 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.5436  226.8138  255.2011 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.3227  225.3674  253.5928 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.1469  221.1920  257.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8696  221.2657  257.5004 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3949  222.5752  257.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2919  223.0407  258.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8452  224.4955  258.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8616  225.3983  258.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4189  226.8536  258.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4336  227.6786  257.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1939  228.2526  256.2431 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6369  227.7325  257.9083 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7240  219.8063  257.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9727  218.7302  257.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3901  217.4412  257.6163 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6253  217.2149  257.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4669  218.2196  256.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0134  219.5355  256.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2853  228.2743  257.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
146.49557397,21.61483456,169.60365622,-100.17223253,176.84283521,-62.58564134
-179.85877854,-177.84901988,116.42913741,-179.46277630,193.44119787,223.42833329
256.79243523,-1.41697302,0.65128573,-0.20402567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444239/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64663

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-8.75337

>  <SCORE.INTRA.DIHEDRAL>
-12.8862

>  <SCORE.INTRA.DIHEDRAL.0>
19.5402

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.31029

>  <SCORE.INTRA.VDW.0>
-0.953421

>  <SCORE.INTRA.norm>
-0.336668

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.217178

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007311

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  203.4672  207.8977  241.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2809  208.6569  241.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8926  208.8531  240.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2770  210.0840  240.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8313  210.4288  238.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0052  209.5310  237.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6287  208.2932  237.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0614  207.9566  239.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8334  207.3318  236.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1120  207.6255  235.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2928  207.5043  236.8499 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1019  210.9874  241.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2938  208.2554  237.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1320  207.6381  236.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4787  210.5521  241.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
-146.12318373,-0.13423623,84.85404773,60.99365988,-68.26720008,202.12382121
208.76223544,239.05773176,-1.89457696,0.78942298,-1.74879887

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444240/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.88558

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-0.514418

>  <SCORE.INTRA.DIHEDRAL>
1.54234

>  <SCORE.INTRA.DIHEDRAL.0>
0.731664

>  <SCORE.INTRA.POLAR>
-3.41051e-05

>  <SCORE.INTRA.POLAR.0>
-0.346618

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.28547

>  <SCORE.INTRA.VDW.0>
1.81729

>  <SCORE.INTRA.norm>
-0.0428682

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.740465

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002362

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  199.1338  205.6785  245.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1662  204.1964  245.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0900  203.4317  245.6254 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1357  203.5968  244.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7352  202.9355  242.9597 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.6204  203.9572  242.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9161  203.8290  242.1471 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5454  204.7680  241.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8590  205.0182  241.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9390  204.3617  240.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2679  203.1630  240.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2367  202.5418  240.2704 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9335  201.4630  241.1224 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8706  201.4946  242.2104 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.6601  202.5387  242.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7582  200.6324  243.1115 O   0  5  0  0  0  0  0  0  0  0  0  0
  199.4856  201.7880  243.3448 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7338  203.9692  246.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7232  205.5011  241.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1414  202.0456  244.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  5  4  1  1  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <CHROM.1>
118.47792690,-56.89410855,-54.02885379,92.02692917,198.52201336,203.23592092
242.57427638,0.42200047,0.71383427,1.79616114

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444241/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.07721

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-3.32279

>  <SCORE.INTRA.DIHEDRAL>
-2.12937

>  <SCORE.INTRA.DIHEDRAL.0>
3.8383

>  <SCORE.INTRA.POLAR>
-0.656101

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0273593

>  <SCORE.INTRA.VDW.0>
-1.44622

>  <SCORE.INTRA.norm>
-0.195458

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.239836

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  215.8397  180.8287  243.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5359  181.3915  244.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7967  182.7291  244.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5236  183.2462  245.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7880  184.5854  245.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5019  185.1080  247.2048 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.8640  186.4782  247.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3681  187.5865  247.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7776  188.9829  247.7958 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.7096  189.9800  247.0875 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.3845  190.8035  248.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5277  190.6594  249.4388 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.4609  189.6151  249.1654 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1491  190.3821  249.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5034  191.8393  249.4946 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.8995  191.8965  249.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1781  192.8184  248.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8136  194.2033  248.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6804  195.1776  247.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3026  194.7547  246.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7857  194.5056  246.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3085  193.4141  245.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5199  195.5951  246.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8051  192.2943  250.6476 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0146  190.8613  246.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6963  184.1517  247.8870 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4805  195.4365  246.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1712  193.1631  250.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6158  191.5478  245.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8605  184.0769  247.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  6  0  0  0
 12 11  1  6  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 15 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.81411812,179.87070167,179.64259327,175.80227738,-118.82914780,-61.97463327
-117.66921148,173.35977272,-167.57530599,170.82844224,172.79087421,-60.64576252
-59.51928727,116.51187548,179.29699748,213.18921767,189.41730233,247.27129956
-1.22981786,1.01321113,-0.05483803

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444250/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.13913

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.630769

>  <SCORE.INTRA>
-8.26087

>  <SCORE.INTRA.DIHEDRAL>
-9.30418

>  <SCORE.INTRA.DIHEDRAL.0>
11.9266

>  <SCORE.INTRA.POLAR>
-0.527354

>  <SCORE.INTRA.POLAR.0>
-0.469424

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.81577

>  <SCORE.INTRA.VDW.0>
-0.537776

>  <SCORE.INTRA.norm>
-0.317726

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.313043

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  181.3167  215.0121  256.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0009  215.5228  256.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0022  215.7822  255.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.7395  216.2368  256.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.4511  216.4330  257.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4367  216.1793  258.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7155  215.7323  258.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7204  215.5253  259.1207 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.6457  214.3086  259.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4796  214.2469  260.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4483  213.6501  260.6179 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.5938  214.9743  262.1127 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.5618  214.9655  263.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.7196  214.0926  264.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8134  214.1009  265.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.7212  214.9553  265.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.5166  215.7779  264.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.4152  215.7825  263.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.9957  216.6084  261.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.1247  217.6270  262.0702 F   0  0  0  0  0  0  0  0  0  0  0  0
  178.0801  217.2246  261.2639 F   0  0  0  0  0  0  0  0  0  0  0  0
  176.4558  215.8594  260.8312 F   0  0  0  0  0  0  0  0  0  0  0  0
  181.4795  216.8764  259.7862 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.4228  217.9033  258.7595 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.9600  217.1336  261.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1950  216.3829  259.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1946  215.7990  262.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-104.45746153,-68.65797573,-27.12867540,95.75999899,-179.31481255,97.94309682
-160.53227587,179.07242053,215.84727805,260.44951474,-1.10059506,-0.04847251
1.71451017

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444251/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.14888

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-3.25112

>  <SCORE.INTRA.DIHEDRAL>
-0.940878

>  <SCORE.INTRA.DIHEDRAL.0>
5.77934

>  <SCORE.INTRA.POLAR>
-0.225655

>  <SCORE.INTRA.POLAR.0>
-0.774345

>  <SCORE.INTRA.REPUL>
-0.0322583

>  <SCORE.INTRA.REPUL.0>
0.0322583

>  <SCORE.INTRA.VDW>
-1.85216

>  <SCORE.INTRA.VDW.0>
-4.85718

>  <SCORE.INTRA.norm>
-0.125043

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.35188

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000099

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  207.5793  202.9713  244.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7155  203.9476  244.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0036  203.4836  245.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9026  204.0641  242.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7914  205.1109  242.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2627  202.8705  242.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4762  202.9120  240.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8727  201.5344  240.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1008  201.5704  238.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5477  199.9577  238.2426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
120.06083939,-179.15194488,-179.92555993,-179.99048692,-179.49433670,209.47956564
202.47736795,241.49708462,-2.74404290,1.30453136,-0.96252628

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444252/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.49692

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-1.90308

>  <SCORE.INTRA.DIHEDRAL>
-1.88323

>  <SCORE.INTRA.DIHEDRAL.0>
2.45494

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.961468

>  <SCORE.INTRA.VDW.0>
2.04828

>  <SCORE.INTRA.norm>
-0.190308

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.849692

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030313

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 28  0  0  0  0  0  0  0  0999 V2000
  197.3351  231.6166  265.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6720  230.6364  263.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8441  229.3625  264.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1789  228.3869  262.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3466  227.1206  263.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6866  226.1418  261.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8515  224.8781  262.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1902  223.9105  260.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3452  222.6531  261.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6640  221.6782  259.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8021  220.4302  260.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1015  219.4304  258.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2298  218.1872  259.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5489  217.1763  258.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7267  215.8997  258.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0505  215.2209  259.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2654  215.0709  260.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3664  214.8771  259.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8359  214.2645  260.7748 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2758  212.8254  260.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6086  212.0562  262.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2365  210.9964  262.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0731  212.5892  263.1992 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3995  214.2679  260.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1152  215.6734  260.7430 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.9609  216.3781  259.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6720  216.6028  261.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6181  215.4187  260.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2441  212.0847  264.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  CHG  1  25   1
M  END
>  <CHROM.1>
179.65325715,-179.74988433,-179.72534635,-179.79219304,179.56494555,-179.52750710
179.57846914,-179.85408234,-179.71954168,179.95458808,-178.87899708,178.56148531
-62.24401784,114.45604485,177.37795053,72.50730460,-177.26397570,63.93679250
-120.16834593,177.61139078,-72.06070970,196.04685154,219.35950264,261.14765452
-1.46685024,0.82202783,-3.05110453

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444253/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.9052

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.907143

>  <SCORE.INTRA>
-10.4948

>  <SCORE.INTRA.DIHEDRAL>
-16.2015

>  <SCORE.INTRA.DIHEDRAL.0>
19.5891

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.39409

>  <SCORE.INTRA.VDW.0>
-0.690952

>  <SCORE.INTRA.norm>
-0.374815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.532328

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051113

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  203.8292  208.7273  260.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4447  208.8701  262.0465 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8364  209.1804  262.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3304  209.9546  261.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6105  210.3235  259.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1721  209.9042  259.7540 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.2408  211.1331  259.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2019  211.8994  260.8658 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5312  211.2979  258.7637 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9198  210.4112  257.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5637  210.3850  256.6609 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8369  209.5528  258.3830 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2346  211.1516  258.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5435  211.5786  259.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2646  211.1899  260.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6573  210.3703  261.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1097  212.3826  258.2272 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.5970  209.7401  262.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9623  210.8354  263.4048 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3357  209.2812  263.2360 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9252  212.0802  258.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2926  208.8429  257.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0502  208.3494  262.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7684  209.7974  263.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  6  0  0  0
  3  4  1  0  0  0  0
  4 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  1  1  1  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
-112.85061260,204.78635117,210.43797905,260.25312038,2.44248618,0.19132196
1.82829009

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444254/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.90029

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.499706

>  <SCORE.INTRA.DIHEDRAL>
-0.499074

>  <SCORE.INTRA.DIHEDRAL.0>
1.41098

>  <SCORE.INTRA.POLAR>
0.00535054

>  <SCORE.INTRA.POLAR.0>
-0.00535054

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.268361

>  <SCORE.INTRA.VDW.0>
-0.716394

>  <SCORE.INTRA.norm>
-0.0249853

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.295015

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000270

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  197.9386  225.4447  254.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5169  225.6920  254.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3952  225.5283  256.2502 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.2517  224.3708  256.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1224  224.2291  258.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9730  223.0424  258.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9098  221.7731  258.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7675  220.6517  258.8104 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7265  219.4757  258.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8433  219.5410  256.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8090  218.3912  255.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6249  217.1341  256.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5673  217.0239  257.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4758  215.7792  258.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4019  215.6878  259.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4217  216.8423  260.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5190  218.0853  260.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5982  218.2077  258.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7370  216.0051  255.5869 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0144  220.7274  255.9500 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0517  221.8854  256.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2160  223.0697  256.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4144  226.8566  256.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7981  227.1386  257.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8583  215.5139  255.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4757  215.3639  255.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4 22  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-82.41616571,-99.05840673,-112.27164363,196.07358715,221.02935889,257.34930433
-0.49319977,-1.40956386,-2.28245139

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444255/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.66328

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.73672

>  <SCORE.INTRA.DIHEDRAL>
-0.402564

>  <SCORE.INTRA.DIHEDRAL.0>
5.41429

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.535438

>  <SCORE.INTRA.VDW.0>
-0.0535539

>  <SCORE.INTRA.norm>
-0.0306967

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.319303

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002996

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  208.0862  204.1614  250.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7645  203.8558  249.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5203  204.2249  248.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5543  204.8798  249.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9182  205.1937  251.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1676  204.8412  251.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2208  205.2586  249.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5167  206.1060  249.9455 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3021  206.5234  249.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4892  207.4181  250.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3176  207.8783  249.7084 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9435  207.4389  248.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6118  206.5504  247.7860 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7737  206.1103  248.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4572  205.2405  247.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6610  204.8085  247.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2922  203.9189  247.0738 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7626  207.9262  247.9959 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8377  207.8456  251.4650 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1300  204.3175  246.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4821  203.0633  247.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.1298  208.1944  248.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4084  207.3167  247.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.0820  207.6795  252.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7276  207.4368  251.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <CHROM.1>
-167.61944525,-125.47037934,-27.33407956,-65.60738591,203.41304530,205.82343162
249.26396612,-0.05911848,-0.44922064,1.06954428

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444256/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.93444

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-0.465558

>  <SCORE.INTRA.DIHEDRAL>
-1.23003

>  <SCORE.INTRA.DIHEDRAL.0>
2.86205

>  <SCORE.INTRA.POLAR>
-0.0982072

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.48336

>  <SCORE.INTRA.VDW.0>
-1.09086

>  <SCORE.INTRA.norm>
-0.024503

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.470234

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002944

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  216.1000  183.0505  253.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8567  181.8289  254.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7036  180.7794  253.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2942  180.5042  252.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1640  179.3516  252.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7906  179.0638  251.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7753  179.8069  250.2540 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4173  179.5526  249.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3501  180.5368  248.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9897  180.3686  246.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7468  179.2196  246.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8089  178.2308  247.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1639  178.4047  248.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3618  179.1012  245.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7866  179.1426  245.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8586  181.6385  245.5805 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.6155  182.3411  245.8184 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1374  182.3044  245.4845 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5725  180.7699  244.1264 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2639  180.1842  243.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0670  178.8616  244.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8039  178.2734  244.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7395  178.9970  243.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9367  180.3092  243.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1975  180.8994  243.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3968  182.5321  242.8933 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.3819  178.4372  253.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0722  177.4251  253.6957 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7077  178.8319  255.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9349  179.9264  255.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3440  180.7203  250.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3172  180.0662  244.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 30  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-33.48580048,-173.80945126,-26.81321381,112.85069777,72.62199292,-93.13550223
218.59755088,180.25222357,247.97022919,1.70499768,-0.55736848,1.73150053

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444257/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.54304

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-5.85696

>  <SCORE.INTRA.DIHEDRAL>
0.0256131

>  <SCORE.INTRA.DIHEDRAL.0>
7.52275

>  <SCORE.INTRA.POLAR>
-0.72226

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.41409

>  <SCORE.INTRA.VDW.0>
1.17473

>  <SCORE.INTRA.norm>
-0.195232

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.184768

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000109

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  198.1021  203.5190  250.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2219  204.4747  249.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7089  205.7622  249.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6776  206.3809  248.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1682  205.5586  247.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7310  204.0290  248.0134 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.9689  205.7792  245.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2804  206.9344  245.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
-0.03075424,198.15441072,205.09808568,248.11259587,1.59500516,1.16742841
2.07032138

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444266/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39997

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-2.99416e-05

>  <SCORE.INTRA.DIHEDRAL>
-6.44896e-05

>  <SCORE.INTRA.DIHEDRAL.0>
6.67654e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.30321e-06

>  <SCORE.INTRA.VDW.0>
0.114879

>  <SCORE.INTRA.norm>
-3.7427e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.799996

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003499

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  195.2095  213.0051  254.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6528  212.7178  254.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2752  213.8900  255.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1523  215.1978  254.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6937  215.4797  254.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0922  214.3135  253.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7157  216.3195  255.3018 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0406  216.6811  255.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7873  216.1442  254.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5078  217.8195  256.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0288  217.6866  257.4046 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4779  218.7102  258.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0666  218.2119  259.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4250  216.8285  259.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0600  216.5348  258.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5694  215.2564  257.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3926  214.2462  258.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7428  214.5128  260.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2646  215.7933  260.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4909  213.1170  261.2838 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.4000  218.9855  260.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0441  218.5195  261.4597 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1994  216.6710  256.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
91.13651099,43.62806321,-134.12413299,-179.94822273,198.03135253,215.39360916
257.94416894,2.43464479,-1.29563422,-0.69468379

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444267/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.52644

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-0.873559

>  <SCORE.INTRA.DIHEDRAL>
-0.0377474

>  <SCORE.INTRA.DIHEDRAL.0>
4.53025

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.854685

>  <SCORE.INTRA.VDW.0>
-2.0532

>  <SCORE.INTRA.norm>
-0.0397072

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.387566

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000185

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  186.2547  217.3059  256.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6668  217.0079  256.2780 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1719  215.6532  256.2928 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.6924  215.8127  256.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9781  217.2452  255.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6523  217.9480  256.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4834  219.1496  255.8974 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5889  214.8855  257.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6168  215.4343  258.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0102  214.8153  259.7830 N   0  3  0  0  0  0  0  0  0  0  0  0
  186.3476  213.6515  259.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2990  213.0554  258.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9279  213.6716  257.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0534  215.4166  261.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
-49.50943818,187.70064834,215.85634846,257.51429379,0.16001041,1.20240422
0.62359539

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444268/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38001

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.0199874

>  <SCORE.INTRA.DIHEDRAL>
-0.0236999

>  <SCORE.INTRA.DIHEDRAL.0>
0.706932

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00813743

>  <SCORE.INTRA.VDW.0>
-0.828357

>  <SCORE.INTRA.norm>
-0.00142767

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.455715

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010200

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 37  0  0  0  0  0  0  0  0999 V2000
  211.5328  181.6942  240.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8185  180.8571  240.7919 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5256  179.3407  240.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7426  178.4620  240.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1978  177.6640  239.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3788  176.7478  240.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4019  177.0661  238.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0946  178.3829  239.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3039  178.5114  238.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0027  179.7448  238.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2014  179.8658  237.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0009  181.1308  237.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3626  181.0684  238.5804 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.2902  182.2895  238.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3015  183.3968  239.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4623  183.7289  240.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5558  184.8539  241.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5197  185.9837  240.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6589  184.8980  242.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7915  184.0659  242.4347 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8884  185.9180  243.0596 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4245  182.2464  237.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1439  180.8636  239.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3123  180.4028  240.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8626  181.3266  239.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1548  181.6204  240.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1673  181.9252  239.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4422  182.2847  239.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2003  182.4664  240.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7526  182.3830  241.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4791  182.8173  240.1969 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6955  181.9528  237.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7286  180.6061  236.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9051  179.7181  237.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8722  180.4408  236.1835 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3215  185.9637  243.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.0417  182.9847  240.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9721  179.5691  235.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 36  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <CHROM.1>
-173.75714776,126.68768346,-115.42602135,-124.06574252,68.80274834,154.62130907
-177.34176267,114.62918265,169.47979605,89.92514653,162.39101835,178.62838939
-8.07297586,-179.19559523,176.44576812,-87.24113321,-4.30774714,178.12920347
78.74859092,177.10318306,218.46909361,181.36671313,239.61154478,2.74284433
-0.20501745,-2.47889106

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444269/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.57467

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-19.8253

>  <SCORE.INTRA.DIHEDRAL>
-9.95639

>  <SCORE.INTRA.DIHEDRAL.0>
18.5471

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.4471

>  <SCORE.INTRA.VDW.0>
3.93482

>  <SCORE.INTRA.norm>
-0.566438

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0735621

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037087

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  217.2067  186.7822  232.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3430  185.3625  232.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6235  184.4645  233.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4593  185.2115  234.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9127  186.4942  234.0986 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6483  184.6700  235.5872 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.7301  185.4355  236.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7788  184.7942  237.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5095  185.3685  238.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4534  186.6016  238.5332 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6015  187.3524  237.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8315  188.5571  237.4205 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8469  188.7813  236.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0109  187.8135  236.2385 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3550  186.7862  237.2529 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.5818  184.3211  238.9727 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.4018  187.1788  234.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  6  0  0  0
 15  7  1  0  0  0  0
M  END
>  <CHROM.1>
140.39943227,-88.92977874,217.32626015,185.91393325,236.21543836,2.64322472
1.11118358,-2.55807451

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444270/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.632

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-2.768

>  <SCORE.INTRA.DIHEDRAL>
1.5589

>  <SCORE.INTRA.DIHEDRAL.0>
4.13542

>  <SCORE.INTRA.POLAR>
-0.946728

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.328577

>  <SCORE.INTRA.VDW.0>
-0.775676

>  <SCORE.INTRA.norm>
-0.173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.2895

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000125

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  203.8955  197.3924  240.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5946  198.3338  241.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5747  199.5078  241.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2603  200.4729  242.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2173  201.6684  242.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1225  202.4218  241.4793 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1424  202.4341  240.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3746  201.8291  240.8414 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4363  200.4458  240.5971 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3260  199.9931  239.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2759  200.7230  238.3162 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2706  198.5135  239.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0827  197.9405  237.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0437  196.5588  237.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1642  195.7438  238.9053 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3202  196.3285  240.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3796  197.6970  240.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8753  203.3624  239.2127 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.1826  202.3294  240.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.8711  199.8909  241.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6707  202.5863  238.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
178.95402284,-179.39563528,60.25528876,-113.09214992,76.52807343,-147.85676029
71.83844474,5.70649951,176.36136085,206.14844917,199.82294773,240.13792253
1.31420142,-0.82419192,-3.06036906

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444271/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.7862

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-8.6138

>  <SCORE.INTRA.DIHEDRAL>
-5.27914

>  <SCORE.INTRA.DIHEDRAL.0>
8.13102

>  <SCORE.INTRA.POLAR>
-0.815889

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.20021

>  <SCORE.INTRA.VDW.0>
-0.692401

>  <SCORE.INTRA.norm>
-0.478545

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.321455

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000725

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  222.5142  195.2994  256.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2326  194.8488  254.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3342  194.6238  254.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1782  194.2552  252.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8924  194.1150  252.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7971  194.2370  252.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9476  194.5991  254.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7001  194.7845  255.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7723  193.8567  250.7183 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.9271  193.6766  249.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8992  193.4246  248.6888 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0294  193.2481  247.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9858  193.1351  246.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.2452  193.1892  248.5582 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.4973  193.5150  249.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6235  193.6016  250.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2610  193.7679  250.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3607  194.0502  251.9263 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.5017  194.0822  250.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6261  192.8253  249.8030 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2218  191.6688  248.9603 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.2216  190.4733  248.8611 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.6590  189.3902  247.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5871  189.9240  246.5336 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0877  189.8707  250.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6272  192.0955  247.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2685  192.3121  251.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0395  193.0694  247.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.1130  190.7466  246.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.8644  190.5885  250.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3323  192.7685  247.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.7232  192.9891  251.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  6  0  0  0
 22 23  1  6  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <CHROM.1>
-98.21353146,-61.06799783,179.14351373,63.63263028,170.95841531,61.98227862
-68.07099882,52.60655802,54.06114818,221.93704558,193.06521326,250.59198715
1.30851771,0.35555293,1.13965255

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444272/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.31979

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-12.7198

>  <SCORE.INTRA.DIHEDRAL>
-12.5679

>  <SCORE.INTRA.DIHEDRAL.0>
15.6377

>  <SCORE.INTRA.POLAR>
-1.80555

>  <SCORE.INTRA.POLAR.0>
-0.793669

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.296956

>  <SCORE.INTRA.VDW.0>
-1.81166

>  <SCORE.INTRA.norm>
-0.471103

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
-0.085918

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001315

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  225.4304  177.6582  249.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8187  178.8611  249.3696 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7563  178.4753  248.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2664  179.7499  250.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3140  180.6516  251.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0908  181.7069  249.8694 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
81.70822818,59.94094771,225.16750116,179.92620027,249.84217951,-2.39535653
-1.01287174,-0.49435250

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444273/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.67966

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-0.720341

>  <SCORE.INTRA.DIHEDRAL>
0.704075

>  <SCORE.INTRA.DIHEDRAL.0>
0.046456

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07238

>  <SCORE.INTRA.VDW.0>
0.958468

>  <SCORE.INTRA.norm>
-0.120057

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.11328

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040146

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  182.8440  203.4184  256.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8009  204.6377  256.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7232  205.5791  256.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4100  206.1756  255.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4264  207.1108  255.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7411  207.4765  256.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0139  206.9234  257.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9977  205.9889  257.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8225  208.3088  257.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7956  209.1573  258.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8256  209.3106  259.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8484  210.0728  260.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6300  210.3677  260.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4533  210.3809  260.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5167  209.8665  258.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5626  209.9675  257.8472 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2563  210.7410  260.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2335  210.9200  262.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3995  210.7341  262.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6185  210.5639  262.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4166  210.6398  264.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6693  211.6098  264.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0316  212.5168  264.3563 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7280  211.3950  266.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0404  212.2533  267.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8636  212.2535  268.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3927  211.2051  269.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1233  211.1140  270.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2801  212.0361  271.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6953  213.0718  270.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7729  213.9368  271.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1643  214.9655  270.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5145  215.1789  269.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4330  214.3293  268.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0117  213.2223  269.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 35  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
133.56333128,150.31353071,133.96327455,-46.62183448,-0.86445990,-179.46206980
-4.05522377,184.50048483,210.14684964,262.68881113,1.38529674,-0.69429696
-2.14662412

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444274/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.08969

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.354286

>  <SCORE.INTRA>
-3.31031

>  <SCORE.INTRA.DIHEDRAL>
-4.7725

>  <SCORE.INTRA.DIHEDRAL.0>
13.4184

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.924056

>  <SCORE.INTRA.VDW.0>
1.45669

>  <SCORE.INTRA.norm>
-0.0945802

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.259706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003974

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  201.9631  207.1462  256.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3614  207.1487  256.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6381  207.8341  255.3232 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9487  207.5766  255.0574 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5084  206.8479  256.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5205  206.5349  256.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7426  205.7919  258.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7643  205.5637  259.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0849  204.8755  260.1514 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0978  204.5949  261.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9147  204.8965  260.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6060  203.8531  262.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1959  206.5901  256.2443 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.5516  208.0875  253.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8884  207.7960  253.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5049  208.4024  252.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7800  209.2810  251.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4345  209.5269  251.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8081  208.9160  253.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3871  209.8939  250.6451 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.0451  204.5998  260.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-177.86783080,1.36001024,179.57907837,205.00057238,207.01974025,256.12956062
1.92011032,-0.18199145,2.09685708

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444275/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.5483

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.8517

>  <SCORE.INTRA.DIHEDRAL>
-3.06889

>  <SCORE.INTRA.DIHEDRAL.0>
3.14989

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.682744

>  <SCORE.INTRA.VDW.0>
-0.865279

>  <SCORE.INTRA.norm>
-0.042585

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.377415

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  209.9037  192.2457  238.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0263  191.1399  239.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3227  191.4641  240.5728 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.7980  191.3848  240.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8638  190.5230  241.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3243  190.7425  241.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1735  189.8985  241.3306 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5031  190.1332  241.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9853  191.2048  242.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1407  192.0258  242.8734 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8085  191.7921  242.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9435  192.7915  243.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4336  191.5705  242.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4034  189.1940  240.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
72.85769042,64.77856890,-96.40591323,211.65973792,191.16431042,241.33340327
-2.84332339,-0.27257103,1.14164733

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444276/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.10987

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.29013

>  <SCORE.INTRA.DIHEDRAL>
0.782673

>  <SCORE.INTRA.DIHEDRAL.0>
0.919096

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.68147

>  <SCORE.INTRA.VDW.0>
1.3176

>  <SCORE.INTRA.norm>
-0.0921524

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.507848

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000426

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  211.0812  189.5861  246.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3715  189.1175  245.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5743  187.7482  245.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5913  186.8357  246.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3403  187.3156  246.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0423  188.6730  246.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2518  186.3167  246.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0824  186.6965  246.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5768  184.8872  246.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6323  183.8385  246.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3509  184.0262  246.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4303  182.9882  245.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7563  181.7071  246.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0227  181.4997  246.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9887  182.5288  247.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2910  182.2849  247.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7353  181.0298  248.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0222  180.8273  248.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9121  181.8995  248.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5082  183.1478  248.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2146  183.3497  247.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8425  184.6280  247.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4430  179.4821  249.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4990  178.5129  249.0415 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.5678  179.0087  248.5940 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.7203  179.5219  250.5293 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.7947  180.5533  246.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6204  180.8852  245.5814 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.3175  179.5327  245.4472 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.4576  180.0073  247.3861 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
-168.92911905,-161.93700162,1.36480041,3.41880852,209.73336456,183.00426302
247.15762114,-1.38710951,0.34619331,2.87531616

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444277/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.31968

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-1.08032

>  <SCORE.INTRA.DIHEDRAL>
-4.62551

>  <SCORE.INTRA.DIHEDRAL.0>
8.68748

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.23243

>  <SCORE.INTRA.VDW.0>
-1.66375

>  <SCORE.INTRA.norm>
-0.0360107

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.277323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018518

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  181.4809  246.1469  232.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2542  247.4580  232.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7368  247.2108  232.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5464  248.5046  232.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2610  248.1319  233.0127 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.7286  247.1909  232.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9563  249.3804  233.2454 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1146  247.2323  234.4202 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5990  247.9738  235.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2973  247.8355  235.7504 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.8410  248.6233  236.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6273  249.5261  237.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9495  249.5718  237.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4725  248.7859  236.0858 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0490  246.9147  234.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-179.04658457,177.68678467,54.98235547,-65.02283112,99.16291450,185.05552286
248.08781350,234.15213987,2.02248250,-0.24673538,-1.87573268

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444278/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.91938

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-1.48062

>  <SCORE.INTRA.DIHEDRAL>
-2.25561

>  <SCORE.INTRA.DIHEDRAL.0>
2.93704

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.352817

>  <SCORE.INTRA.VDW.0>
-1.83995

>  <SCORE.INTRA.norm>
-0.105759

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.637098

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000159

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  226.6891  184.2230  247.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6711  185.0925  247.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.5304  184.4813  248.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0240  184.9560  249.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8787  184.3838  249.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2112  183.3449  249.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6846  182.9135  248.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8446  183.4737  247.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0961  182.6494  249.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3405  183.0716  251.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5716  184.3884  251.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2980  185.5532  250.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4090  186.8031  251.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7983  186.8965  252.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1083  185.7433  253.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0032  184.4907  252.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2960  182.0923  251.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2687  180.9480  251.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4364  182.5928  252.4864 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3962  181.8962  253.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6447  182.6053  254.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5989  181.9860  254.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3019  180.6548  254.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0337  179.9346  253.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0792  180.5505  252.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3002  180.0621  255.2030 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.5565  183.5622  252.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
135.18103983,19.73725679,67.51458720,7.13663703,179.83990003,220.25711093
183.25229519,251.37711602,-0.02472829,-0.66727009,-2.63192131

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444279/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.73617

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-5.66383

>  <SCORE.INTRA.DIHEDRAL>
-12.4551

>  <SCORE.INTRA.DIHEDRAL.0>
26.7807

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.563734

>  <SCORE.INTRA.VDW.0>
-0.586424

>  <SCORE.INTRA.norm>
-0.217839

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.182161

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001328

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  220.5562  182.6849  249.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0133  184.0219  248.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4512  185.2176  249.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9469  186.4528  248.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9822  186.4965  247.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5201  185.3161  247.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0376  184.0864  247.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4500  187.7882  247.4556 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.8836  188.8143  247.9997 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5965  187.7787  246.5558 O   0  5  0  0  0  0  0  0  0  0  0  0
  221.3912  185.2497  250.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5581  186.1665  250.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <CHROM.1>
-179.96366242,219.44514077,185.88077900,248.32121227,0.86112893,0.80806703
-3.04492376

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444280/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.90311

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.490909

>  <SCORE.INTRA>
-0.496887

>  <SCORE.INTRA.DIHEDRAL>
-0.00107871

>  <SCORE.INTRA.DIHEDRAL.0>
0.00110604

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.496347

>  <SCORE.INTRA.VDW.0>
1.11056

>  <SCORE.INTRA.norm>
-0.0451715

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.445738

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  187.4506  210.5990  252.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0549  210.9906  250.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2225  212.4975  250.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9738  210.2783  250.0205 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8599  210.2006  248.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6028  210.8987  247.8241 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.2069  209.4003  247.8833 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.4735  209.3888  249.1905 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7059  208.6233  248.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4802  209.3755  247.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9296  210.7427  248.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7690  211.5761  248.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8948  210.7907  249.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4997  211.2942  250.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
170.62469002,-1.51694975,-15.22740668,176.07747414,189.30554728,210.44156169
249.14445995,-2.77360587,0.08714275,-1.94860023

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444281/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.11436

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-4.28564

>  <SCORE.INTRA.DIHEDRAL>
-9.54305

>  <SCORE.INTRA.DIHEDRAL.0>
10.4753

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.485887

>  <SCORE.INTRA.VDW.0>
-1.93294

>  <SCORE.INTRA.norm>
-0.306117

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.365311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.101829

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  243.2150  180.9986  213.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  243.3326  181.6979  212.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
  243.5563  180.8977  211.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  243.6612  181.4697  209.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
  243.5291  182.8519  209.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  243.3186  183.6822  210.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  243.2310  183.0918  212.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
  243.0358  183.9880  213.1489 N   0  3  0  0  0  0  0  0  0  0  0  0
  243.9056  183.9872  214.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
  242.0269  184.7048  213.1250 O   0  5  0  0  0  0  0  0  0  0  0  0
  243.6219  183.4649  208.3394 N   0  3  0  0  0  0  0  0  0  0  0  0
  242.7728  183.1477  207.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
  244.5045  184.3227  208.1911 O   0  5  0  0  0  0  0  0  0  0  0  0
  243.9186  180.6768  208.7125 O   0  0  0  0  0  0  0  0  0  0  0  0
  243.9725  181.2115  207.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  4   8   1  10  -1  11   1  13  -1
M  END
>  <CHROM.1>
-179.42628357,243.40343783,182.82183479,210.82881833,-2.47140584,1.43685537
-0.78160620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444290/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.15787

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385714

>  <SCORE.INTRA>
-0.24213

>  <SCORE.INTRA.DIHEDRAL>
-0.0108801

>  <SCORE.INTRA.DIHEDRAL.0>
0.0116122

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.23669

>  <SCORE.INTRA.VDW.0>
0.308458

>  <SCORE.INTRA.norm>
-0.017295

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.368419

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000407

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  192.1855  221.8755  253.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3757  222.5996  252.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5814  222.5256  253.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8061  223.2365  252.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0235  223.1680  253.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2538  223.8841  253.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0528  225.3525  252.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2055  226.3092  253.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9373  227.6555  253.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6116  227.2998  251.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6892  225.9715  251.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
179.75581239,179.96502060,-179.76844707,63.79662684,84.20945226,196.35076874
224.46543679,252.95618145,2.42404214,0.24564391,2.84529424

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444291/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.6995

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-0.7005

>  <SCORE.INTRA.DIHEDRAL>
-0.0646902

>  <SCORE.INTRA.DIHEDRAL.0>
1.39817

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.668155

>  <SCORE.INTRA.VDW.0>
-0.229637

>  <SCORE.INTRA.norm>
-0.0636818

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.881773

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006799

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  220.0370  190.2649  252.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4824  189.4424  250.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3722  190.2462  249.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8263  189.4185  248.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7190  190.2109  247.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1561  189.4004  246.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5117  188.7411  245.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
M  END
>  <CHROM.1>
179.76511818,179.92456220,-179.85721668,170.26825517,220.70484072,189.69664445
248.66129898,2.09805554,-1.21162372,1.93247039

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444292/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.39982

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.34286

>  <SCORE.INTRA>
-0.000179669

>  <SCORE.INTRA.DIHEDRAL>
0.000292996

>  <SCORE.INTRA.DIHEDRAL.0>
3.94154e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000326168

>  <SCORE.INTRA.VDW.0>
-0.505242

>  <SCORE.INTRA.norm>
-2.5667e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.34283

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019750

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 37  0  0  0  0  0  0  0  0999 V2000
  191.2597  223.3016  257.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1091  222.7809  256.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0851  221.4502  256.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2011  220.6389  256.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3508  221.1627  257.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3830  222.4892  257.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6031  222.9979  258.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6887  222.5902  259.8300 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3495  222.8049  260.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1170  223.7063  261.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4548  221.8439  260.1833 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1403  221.9720  260.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1511  220.8810  260.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5689  219.6382  260.6748 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.9451  221.0729  260.9328 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.9568  220.8987  259.0119 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.0617  221.1683  259.9454 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4609  220.6334  261.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5515  220.9014  261.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4761  219.6466  261.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0314  220.2138  263.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0455  220.3831  264.0085 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.4168  221.4158  262.9987 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.1376  219.3886  263.7328 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.4055  219.3844  260.9710 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.0929  218.4311  261.9573 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.8468  220.9767  255.9028 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5785  219.6152  255.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3794  218.7000  255.8580 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1449  219.4459  255.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2703  219.7268  256.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5552  218.9477  257.5613 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.4013  221.0129  256.9096 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.9519  219.5496  256.2205 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.8114  220.2810  254.2392 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.9040  218.1859  254.7926 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.5870  220.5223  259.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <CHROM.1>
-166.55843138,98.85399977,-46.13250217,-106.06018272,167.02656786,-177.98217697
-179.60723125,58.72588022,-71.99106813,-118.89124739,-60.99149312,-3.75271485
-71.80980155,-56.53947125,190.53420692,220.67932682,259.08702612,-2.48233762
0.43477760,1.91859561

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444293/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.98012

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.538889

>  <SCORE.INTRA>
-11.4199

>  <SCORE.INTRA.DIHEDRAL>
-13.2733

>  <SCORE.INTRA.DIHEDRAL.0>
19.6136

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.78321

>  <SCORE.INTRA.VDW.0>
-4.04985

>  <SCORE.INTRA.norm>
-0.317219

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.22167

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002817

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  218.7846  193.6191  235.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0126  194.2696  235.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6004  194.3894  237.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0594  193.9105  238.3295 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8707  193.2914  238.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1995  193.1152  237.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3758  192.7662  239.4076 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1161  191.4268  240.0527 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.1213  190.5313  240.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0366  190.9573  239.0423 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0928  192.0918  241.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2500  192.8216  241.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9706  193.4195  242.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5612  193.3100  243.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4064  192.5613  243.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6672  191.9708  242.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2734  193.8661  244.5370 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8266  195.1590  245.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3854  195.0868  245.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3058  195.2493  244.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1817  194.8256  245.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5163  194.5534  246.6886 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8881  194.7121  246.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6137  194.5331  247.6928 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8496  194.6906  244.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7583  194.8506  243.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8893  195.2051  242.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1083  195.4584  243.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2229  195.9529  242.0888 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.0860  195.4834  240.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8710  195.1840  241.3076 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8948  193.3775  240.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.2693  193.8629  244.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-71.65654426,-140.90628414,-72.91681822,98.23217453,52.65136775,-84.20573435
219.56642195,193.79112195,241.87607178,1.67266935,0.88427944,-1.87518587

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444294/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.42184

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-7.97816

>  <SCORE.INTRA.DIHEDRAL>
0.0234589

>  <SCORE.INTRA.DIHEDRAL.0>
4.27305

>  <SCORE.INTRA.POLAR>
-0.99472

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.60784

>  <SCORE.INTRA.VDW.0>
-2.87691

>  <SCORE.INTRA.norm>
-0.25736

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.110382

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  193.6352  195.6737  255.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8848  195.3824  254.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7302  194.1417  253.8641 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8005  193.7168  253.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2030  192.3689  253.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3927  191.9762  252.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1356  192.8702  251.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6679  194.1651  251.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5169  194.5816  252.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4136  192.4156  251.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7967  191.2623  251.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2305  193.3782  250.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5243  191.3334  254.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0781  191.8675  255.8254 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.3672  192.9735  256.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3476  193.7550  257.3567 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4786  194.5007  257.1924 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2179  193.9907  256.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4985  193.0895  255.5000 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6889  194.3010  255.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3173  193.6599  254.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0420  195.1252  254.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7708  195.6136  258.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9121  196.4034  257.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2019  197.4730  258.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3593  197.7649  259.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2114  196.9975  259.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9055  195.9339  259.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-178.13209770,133.41874214,-43.73564717,0.29732605,-34.90555062,169.99780914
-177.22588431,-178.95184249,197.35174311,194.04599902,255.06427478,1.64523334
0.27077006,1.04764280

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444295/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.51787

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-4.88213

>  <SCORE.INTRA.DIHEDRAL>
-1.63084

>  <SCORE.INTRA.DIHEDRAL.0>
6.85244

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.06671

>  <SCORE.INTRA.VDW.0>
0.230172

>  <SCORE.INTRA.norm>
-0.174362

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.30421

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000120

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  193.5863  219.1562  257.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0551  219.4637  257.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4110  219.3016  256.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8847  219.6077  255.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2147  219.4356  254.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6839  219.7225  254.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6441  218.7688  254.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2976  219.1264  256.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2479  218.2798  256.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5414  217.0382  255.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8618  216.6729  254.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9203  217.5270  254.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5089  216.1988  256.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1633  216.5853  257.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8733  217.7963  258.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9197  218.6431  257.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1093  215.7910  258.3110 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2212  214.9956  257.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
179.96663763,179.91876046,-179.74145214,63.40874328,-97.94122875,1.33528722
199.62754417,218.18482561,256.37067946,2.98457945,0.32157203,-1.41061459

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444296/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2091

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-0.190882

>  <SCORE.INTRA.DIHEDRAL>
0.0111983

>  <SCORE.INTRA.DIHEDRAL.0>
0.727228

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.196481

>  <SCORE.INTRA.VDW.0>
-0.377218

>  <SCORE.INTRA.norm>
-0.0112283

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.600536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039665

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  206.3993  206.5681  245.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4298  205.6896  246.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7304  206.1607  247.8718 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.9512  207.1680  247.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5864  206.0509  248.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7826  206.9168  250.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9984  205.5610  248.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8951  204.1520  248.5997 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1345  203.2124  247.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6794  203.4493  246.5737 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4834  201.8844  248.0850 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.3332  200.6293  247.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4209  200.1354  246.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0579  200.0368  245.7726 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.2807  201.3503  245.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1268  201.7980  247.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2290  198.8548  246.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3151  202.2179  249.4929 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5120  203.5504  249.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4431  204.1074  250.8294 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0063  201.5723  250.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  1  0  0  0
 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-51.41854154,-161.81138840,-66.59856318,86.44095171,208.08174257,203.32613642
247.80813862,1.95171191,-1.20650420,0.67447219

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444297/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48271

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-0.917292

>  <SCORE.INTRA.DIHEDRAL>
0.7595

>  <SCORE.INTRA.DIHEDRAL.0>
2.61148

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.29704

>  <SCORE.INTRA.VDW.0>
1.41623

>  <SCORE.INTRA.norm>
-0.0482785

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.446458

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000508

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  204.8337  195.2143  251.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6041  195.3425  250.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8588  195.5329  249.5647 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8930  195.7078  247.8873 Si  0  0  0  0  0  0  0  0  0  0  0  0
  207.6530  196.0858  247.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3317  194.1050  247.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7637  197.1065  247.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2312  198.6162  248.1544 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-179.92522245,175.32102343,56.74620272,205.52734199,196.29047370,248.52876239
1.90793982,-1.16999156,2.69162022

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444306/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.1573

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-0.242705

>  <SCORE.INTRA.DIHEDRAL>
0.045473

>  <SCORE.INTRA.DIHEDRAL.0>
0.0010462

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.265441

>  <SCORE.INTRA.VDW.0>
-0.636925

>  <SCORE.INTRA.norm>
-0.0303381

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.01966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020320

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  197.8459  219.2879  253.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3083  219.8487  253.7512 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.9840  220.6174  253.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9225  221.2269  254.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8743  221.9366  255.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4322  223.2764  255.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3067  224.0104  256.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6137  223.4163  257.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0623  222.0999  257.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2004  221.3696  256.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8638  218.7123  252.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9317  218.6066  251.6157 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2909  217.4303  251.4363 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8201  216.8619  252.5515 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1942  217.6688  253.5346 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1576  217.0045  250.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-118.40021161,-73.48351737,-129.75867682,196.22578925,220.34680360,254.31209915
-2.34843878,-1.30942147,-0.02994216

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444307/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.73823

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-1.66177

>  <SCORE.INTRA.DIHEDRAL>
0.685782

>  <SCORE.INTRA.DIHEDRAL.0>
3.33555

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.00466

>  <SCORE.INTRA.VDW.0>
4.45954

>  <SCORE.INTRA.norm>
-0.110785

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.449215

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000496

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  194.3607  208.5382  244.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6741  209.1937  244.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6944  210.3742  245.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8970  211.0328  245.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0787  210.4918  245.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0754  209.3031  244.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8733  208.6553  244.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6410  211.2385  245.5003 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.2091  211.5426  244.1977 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3895  212.2954  246.4621 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5861  210.1235  246.2522 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8761  209.1742  247.0983 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8134  208.0787  247.7431 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.6202  208.5416  248.9954 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8045  209.5306  249.8282 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.9009  208.7512  250.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7420  208.0586  251.6166 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4137  206.9999  250.9393 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1955  207.4705  249.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1777  206.4821  252.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8119  205.3325  252.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7676  204.6687  253.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0840  205.1476  253.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4225  206.3518  253.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4659  207.0454  252.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0685  210.4907  249.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1022  209.9149  248.1996 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.1766  209.0938  248.8988 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0903  208.6043  248.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7118  207.5430  246.7531 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1907  207.1082  246.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  6  0  0  0
 14 19  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-122.78691913,-33.42114871,177.13643071,-61.99571597,103.25570722,-65.87245261
199.90993782,208.82599992,248.22299313,2.16958583,-0.33845938,-0.86379824

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444309/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.1797

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-6.2203

>  <SCORE.INTRA.DIHEDRAL>
-7.00942

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0.00545403

>  <SCORE.INTRA.POLAR.0>
-0.00545403

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.73414

>  <SCORE.INTRA.VDW.0>
-0.822972

>  <SCORE.INTRA.norm>
-0.207343

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.139323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010775

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  207.1559  199.5151  250.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6107  199.9949  250.2860 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7157  201.1892  251.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4804  200.7827  252.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3325  199.5781  253.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2517  198.4476  252.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5094  198.8856  250.6746 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9466  199.1838  250.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3946  199.3049  249.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0126  198.0599  248.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5927  198.0526  248.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0985  196.9371  247.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7412  195.9502  247.1478 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6408  197.1173  247.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8107  195.9857  247.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4315  196.0895  247.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8558  197.3259  246.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6653  198.4549  246.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0573  198.3603  246.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1333  200.1302  246.6117 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <CHROM.1>
-68.81088869,-54.40907380,71.73421187,-174.71243838,3.85231362,-144.50318073
208.38267615,198.96697104,248.33265470,0.31029087,1.12249972,2.52581096

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444310/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.05639

>  <SCORE.INTRA.VDW.0>
-0.0876361

>  <SCORE.INTRA.norm>
-0.156171

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.413829

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001099

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  213.7845  186.1368  249.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0017  185.6480  250.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9040  185.1078  251.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5160  183.8651  251.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4872  183.1927  252.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7796  183.7669  253.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1632  185.0130  253.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2221  185.6797  252.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5989  182.9749  255.3705 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.7850  181.4272  254.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7617  180.4079  254.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2653  180.7558  252.9121 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2022  181.8710  252.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8104  180.2179  251.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2425  180.5855  250.6175 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7701  179.1215  251.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3917  179.6643  252.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9332  180.7456  251.2929 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4593  180.7895  251.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9228  181.8852  250.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4707  183.2695  250.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0027  183.1825  250.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5183  182.0478  251.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9609  183.7985  252.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5551  185.1079  252.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9134  185.3065  253.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3807  186.5496  254.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4975  187.6037  253.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1636  187.4117  252.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6964  186.1698  251.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
131.72395778,74.34276462,53.60276030,154.48868098,175.47153634,-138.90410351
213.15108904,183.24700536,252.34987013,-2.06871702,0.42363378,-2.98772651

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444311/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38715

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-5.01285

>  <SCORE.INTRA.DIHEDRAL>
2.70163

>  <SCORE.INTRA.DIHEDRAL.0>
2.98667

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.36367

>  <SCORE.INTRA.VDW.0>
1.91809

>  <SCORE.INTRA.norm>
-0.167095

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.212905

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002244

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 53 60  0  0  0  0  0  0  0  0999 V2000
  191.7402  212.2861  249.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8384  212.4727  250.8195 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.2834  213.8496  251.2969 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3026  214.9020  251.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3547  214.8900  250.5910 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4125  215.9351  250.7934 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6112  215.8207  249.8415 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6858  214.5567  249.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1506  213.3923  249.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0396  213.5204  250.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2926  212.4078  251.3244 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0018  211.0934  251.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3925  210.4900  252.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3246  209.3798  252.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8718  208.9623  251.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8454  207.9517  251.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2499  207.3747  252.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6803  207.7742  253.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7228  208.7808  253.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2024  206.4047  252.4445 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2468  207.7103  249.8296 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3297  206.3936  249.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4901  217.1416  249.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5834  217.3126  247.9098 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0320  218.0534  250.0516 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9508  217.3588  250.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8267  217.8021  250.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0646  218.3776  251.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3549  218.7378  250.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1640  219.5067  251.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8289  219.6920  252.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5932  219.2423  253.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7007  218.6051  252.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8163  220.3094  253.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0101  220.3186  253.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3353  220.8918  254.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2183  221.0740  256.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8217  221.7902  257.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5170  222.2653  257.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6099  222.0186  256.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0161  221.3363  255.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4128  213.3768  252.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5398  213.6890  253.6010 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7467  212.2910  251.9299 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7916  211.5232  251.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8689  210.3029  251.4388 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6794  212.5475  250.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1964  211.5080  250.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3469  211.7782  249.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9869  213.0895  248.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4193  214.1302  249.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2075  213.8550  250.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7053  206.3736  251.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 11  1  0  0  0  0
  2 45  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3 42  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 26  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 53  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 47  1  0  0  0  0
 45 46  2  0  0  0  0
 47 52  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
M  END
>  <CHROM.1>
-115.58302930,2.87001432,-132.33206780,15.65307184,49.33635132,-20.18591932
158.57118894,163.40900363,194.39300463,214.47079839,251.66654471,2.01055020
0.27525059,-2.98735135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444312/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.1663

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.238462

>  <SCORE.INTRA>
-8.2337

>  <SCORE.INTRA.DIHEDRAL>
-14.6155

>  <SCORE.INTRA.DIHEDRAL.0>
22.3105

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.92593

>  <SCORE.INTRA.VDW.0>
0.590991

>  <SCORE.INTRA.norm>
-0.15834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.0801211

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.045895

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  199.6619  213.9130  249.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2373  214.2517  250.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0553  215.3734  251.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6680  215.7154  252.5549 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6422  216.7711  252.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2318  216.2901  252.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1393  217.0076  253.0729 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1211  216.0621  253.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6698  214.8136  252.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0095  214.9443  252.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7079  216.2974  253.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8881  215.3869  253.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3953  217.6135  253.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0060  217.8246  253.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1752  214.8780  253.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0419  214.0313  253.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7233  214.9419  254.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3612  214.1046  255.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9500  214.0762  257.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9567  214.9546  257.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2956  215.7727  256.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6342  215.7070  255.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3258  216.5779  257.2896 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1333  216.7300  256.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5907  213.1749  258.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7260  212.2848  258.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.72856105,-90.47206211,95.84040578,175.62982407,-178.54167315,-179.13614688
-176.39050206,-125.97355514,-140.17357190,197.70424388,215.36172709,254.24898475
-0.42655379,0.38239959,-1.50886983

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444313/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.5593

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-1.84075

>  <SCORE.INTRA.DIHEDRAL>
-1.16532

>  <SCORE.INTRA.DIHEDRAL.0>
9.69501

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.25809

>  <SCORE.INTRA.VDW.0>
3.19232

>  <SCORE.INTRA.norm>
-0.070798

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.483048

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000727

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 18  0  0  0  0  0  0  0  0999 V2000
  191.9887  200.6812  247.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2005  201.3721  248.3015 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.1283  202.8802  248.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1537  203.1334  246.4932 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.9436  202.4231  245.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9994  200.9154  246.1347 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2981  200.3524  245.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5237  201.0410  246.1759 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.4880  200.7903  247.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4734  202.5723  245.8767 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.6818  203.3155  246.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3095  203.2601  247.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4115  204.0874  247.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4917  204.6275  246.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4397  204.1109  245.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
74.92881629,194.34017597,202.35183039,246.70881672,-2.90681315,-0.54239418
-1.23062026

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444314/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.0708

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.329197

>  <SCORE.INTRA.DIHEDRAL>
-0.522684

>  <SCORE.INTRA.DIHEDRAL.0>
2.72672

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0678556

>  <SCORE.INTRA.VDW.0>
-0.624705

>  <SCORE.INTRA.norm>
-0.0219465

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.40472

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002224

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  182.8980  211.4696  257.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1097  211.6974  259.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0250  210.7153  260.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7244  209.4784  259.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5443  209.2345  258.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5882  210.2617  257.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2479  207.9804  258.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1311  206.9723  259.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8110  205.7192  259.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6731  204.7599  260.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8598  205.0220  261.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1920  206.2398  261.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3055  207.2339  260.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6243  208.4801  260.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6134  208.7973  262.3414 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.1214  207.6871  257.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2800  208.5470  256.5818 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0408  208.1991  255.5061 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1990  209.1155  254.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6582  210.2207  254.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0560  208.6611  253.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4361  209.2998  252.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2926  208.4132  251.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3780  207.2837  252.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6361  207.4192  253.4387 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4672  207.2819  255.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
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 22 23  1  0  0  0  0
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M  END
>  <CHROM.1>
1.16989900,179.08087103,-179.63080806,184.51684555,208.38871756,257.87017344
2.50133638,-0.90334091,2.43586550

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444315/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74119

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-1.65881

>  <SCORE.INTRA.DIHEDRAL>
-4.355

>  <SCORE.INTRA.DIHEDRAL.0>
4.36035

>  <SCORE.INTRA.POLAR>
0.000487518

>  <SCORE.INTRA.POLAR.0>
-0.0292711

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.517029

>  <SCORE.INTRA.VDW.0>
-0.98102

>  <SCORE.INTRA.norm>
-0.0663526

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.269647

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000147

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  209.4754  188.6351  246.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5387  189.7676  247.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2417  189.9560  248.3088 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.9375  188.7726  249.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8534  188.3160  250.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5673  187.1791  250.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3838  186.4629  250.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4734  186.9519  249.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7364  188.0832  249.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0551  185.3093  251.5469 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0177  184.6500  252.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7099  183.2237  252.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5525  182.1288  252.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0095  180.8841  251.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6388  180.7512  251.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8100  181.8766  251.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3875  183.1107  251.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9338  184.4744  251.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8610  184.6981  250.8216 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3449  191.2566  249.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5962  192.2196  249.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3512  191.2589  250.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4088  192.0860  250.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
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M  END
>  <CHROM.1>
65.30728252,56.97652077,118.45660863,-11.08247979,-179.62875371,207.63383076
186.49414159,250.31091614,-1.37496182,-0.26491823,2.82286747

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444316/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.64526

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-1.75474

>  <SCORE.INTRA.DIHEDRAL>
-1.61468

>  <SCORE.INTRA.DIHEDRAL.0>
3.5294

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.947399

>  <SCORE.INTRA.VDW.0>
0.14777

>  <SCORE.INTRA.norm>
-0.0797609

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.347512

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  208.6001  192.6564  244.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1285  192.3574  245.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6756  193.1027  246.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9817  192.1829  247.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6451  190.9376  247.0917 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1031  191.0535  245.8225 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6082  192.4189  248.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1788  191.5884  248.8692 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.9756  194.9470  246.4736 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-115.57614852,210.13719427,193.07546545,246.84815103,2.37803894,-0.90574580
-0.09120821

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444317/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.89523

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.504768

>  <SCORE.INTRA.DIHEDRAL>
-1.29214

>  <SCORE.INTRA.DIHEDRAL.0>
1.55533

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.141301

>  <SCORE.INTRA.VDW.0>
-0.701819

>  <SCORE.INTRA.norm>
-0.0560853

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.655026

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000525

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  211.1789  193.3282  241.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6646  192.8375  242.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5270  193.6822  242.9393 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.8341  194.6649  242.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.2379  193.6196  242.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3104  194.7939  242.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2642  193.3697  244.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8836  194.6287  245.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8374  195.6371  244.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6201  196.8350  245.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6788  197.0741  246.2193 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6728  197.8241  245.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1620  198.6882  244.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8589  198.0697  242.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6431  198.4393  242.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2469  197.8899  241.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0735  196.9799  240.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2926  196.6160  240.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6878  197.1615  242.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-52.67549132,-160.49822635,142.97197835,-47.18577192,179.72915854,-3.83748878
99.83272225,-66.61557757,135.76438734,209.49022032,195.92521268,243.15296551
-1.05273086,1.54721282,-0.18756081

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444318/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.09227

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-10.3077

>  <SCORE.INTRA.DIHEDRAL>
-10.7231

>  <SCORE.INTRA.DIHEDRAL.0>
18.2451

>  <SCORE.INTRA.POLAR>
-0.365908

>  <SCORE.INTRA.POLAR.0>
-0.0878844

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.70209

>  <SCORE.INTRA.VDW.0>
3.78057

>  <SCORE.INTRA.norm>
-0.572652

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.227348

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001852

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  211.4776  198.8490  257.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0701  198.6065  257.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3095  197.3583  257.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8535  197.4958  259.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9358  197.4240  260.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0759  196.9714  256.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0885  198.1320  256.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2327  199.1117  256.0494 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0101  198.0723  257.6126 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4578  196.9197  258.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3067  196.8834  258.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2160  195.7975  257.9608 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4423  195.6886  257.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0093  194.5964  257.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5351  196.6551  255.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4052  196.2749  254.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0773  196.9494  253.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3744  198.8569  257.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7965  194.9395  258.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
71.60491685,-72.11159585,-60.67020239,179.63496891,119.28033246,207.79037328
197.17337574,257.21109913,-0.41977178,-0.32068686,-1.55784267

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444319/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.62712

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-0.772878

>  <SCORE.INTRA.DIHEDRAL>
1.11976

>  <SCORE.INTRA.DIHEDRAL.0>
0.524373

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.33276

>  <SCORE.INTRA.VDW.0>
0.723383

>  <SCORE.INTRA.norm>
-0.0454634

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.566301

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002327

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  205.8268  204.6748  245.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2277  204.4867  246.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4077  203.3636  246.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2417  202.4644  245.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4687  201.3370  246.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8122  201.0833  247.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0029  201.9771  248.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7955  203.1369  248.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9821  204.0203  249.2125 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4044  203.7885  250.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6201  202.6914  250.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4226  201.7788  249.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1826  199.8305  247.4438 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8135  202.6419  244.6759 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5882  203.7317  244.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1678  199.8796  247.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5523  199.2503  248.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-111.54559849,203.83478164,202.70090241,247.43491397,-0.60641767,0.94733673
1.02317708

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444320/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.93828

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.461723

>  <SCORE.INTRA.DIHEDRAL>
-0.19147

>  <SCORE.INTRA.DIHEDRAL.0>
0.613243

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.365988

>  <SCORE.INTRA.VDW.0>
-0.0998114

>  <SCORE.INTRA.norm>
-0.0307816

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.395885

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001067

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 38  0  0  0  0  0  0  0  0999 V2000
  192.7060  223.1820  257.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5818  222.9765  258.8068 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.7517  222.2514  260.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1685  220.8251  259.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0371  219.7859  259.5354 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.5908  218.4269  259.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0005  217.5577  259.8479 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7127  218.2556  257.7195 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4066  219.6201  260.8486 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2326  218.9027  261.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2344  217.7769  261.4947 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9657  219.6062  260.4363 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3618  220.6329  261.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2700  221.7733  261.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2619  223.0186  261.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2921  223.7567  261.6989 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9955  223.0155  262.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1685  223.3314  263.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6916  222.3622  264.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0341  221.1502  264.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8474  220.8603  263.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3368  221.7907  262.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2705  220.2514  259.1423 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5506  219.5267  258.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5726  218.3000  258.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8247  220.3709  256.7438 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.5658  220.6738  255.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0974  221.0125  254.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3722  220.1916  254.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6877  219.6381  255.7855 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3342  218.9176  257.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0580  217.3664  257.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9869  219.7231  261.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.5429  224.6885  261.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.5694  221.2272  259.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3979  218.6562  255.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  2  0  0  0  0
 26 24  1  1  0  0  0
 26 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 36  1  0  0  0  0
M  END
>  <CHROM.1>
-69.97432649,-60.14991239,176.57510893,90.18751261,169.85011068,105.23883354
-82.86356420,61.03992444,68.58717920,96.30614404,-89.54286154,190.87052603
220.74028479,259.71987418,2.64232022,1.41860336,-2.93376023

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444321/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.45124

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.546667

>  <SCORE.INTRA>
-8.94876

>  <SCORE.INTRA.DIHEDRAL>
2.23798

>  <SCORE.INTRA.DIHEDRAL.0>
4.99782

>  <SCORE.INTRA.POLAR>
-0.999942

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.66795

>  <SCORE.INTRA.VDW.0>
-4.61655

>  <SCORE.INTRA.norm>
-0.298292

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.248375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  178.3259  209.2108  259.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1420  210.1447  259.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5212  209.5799  260.2465 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.4464  209.4960  259.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2509  210.1479  258.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6644  208.6322  259.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5145  208.5956  257.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6804  207.8287  258.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9979  207.0844  259.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1448  207.0951  260.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9782  207.8637  260.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3275  210.6530  261.4356 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  1  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
67.75517219,19.30962569,-178.49891585,181.91909590,209.11079152,259.60003651
2.78337401,-0.42088040,1.24063871

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444330/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.40981

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-0.990191

>  <SCORE.INTRA.DIHEDRAL>
-2.52187

>  <SCORE.INTRA.DIHEDRAL.0>
3.89007

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.270743

>  <SCORE.INTRA.VDW.0>
-0.565093

>  <SCORE.INTRA.norm>
-0.0825159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.617484

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.074715

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  199.1666  205.1790  250.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1065  204.1323  250.3494 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0347  204.3702  251.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7965  203.9306  252.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6921  204.2049  253.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8721  204.8696  253.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1707  205.2601  252.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2498  205.0127  251.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6355  205.4213  249.7595 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5365  204.5577  248.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3908  205.8902  251.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5325  207.0838  251.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2699  203.8376  254.9238 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2379  203.8737  255.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3141  202.8176  255.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4564  203.1126  255.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9056  201.5077  255.8968 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8320  200.4089  255.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6779  199.7778  254.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9695  200.7577  253.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2605  201.2822  252.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5294  202.1791  251.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5152  202.5578  251.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2327  202.0333  251.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9621  201.1323  252.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9129  201.3157  255.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
94.24119456,168.95481489,-135.24292811,-48.23042126,-66.12506542,108.69533951
-96.77683392,62.13862041,65.36707522,202.87164299,203.45707201,252.64982982
1.94107550,0.62930635,-1.11170767

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444331/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3812

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.576

>  <SCORE.INTRA>
-8.0188

>  <SCORE.INTRA.DIHEDRAL>
7.35816

>  <SCORE.INTRA.DIHEDRAL.0>
5.77828

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.6979

>  <SCORE.INTRA.VDW.0>
7.28976

>  <SCORE.INTRA.norm>
-0.320752

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.255248

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000490

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  211.3701  204.8156  247.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4841  204.6678  248.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5733  203.9539  247.9177 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3604  204.0155  249.0265 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7904  204.7283  250.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6095  205.1802  249.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8371  205.9672  250.3091 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3539  206.3244  251.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4767  205.8955  252.0644 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2808  205.0261  251.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3240  204.5657  251.7910 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5838  207.3501  252.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1656  207.7209  253.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5703  208.6688  254.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3804  209.2543  254.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7741  208.8740  252.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3351  207.9014  251.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7002  207.5448  250.8295 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4204  206.9111  250.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6690  203.4057  249.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9700  206.3638  249.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-177.69340238,117.98040567,212.25347206,206.10249734,250.91279151,0.92842327
0.42380004,-2.08830351

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444332/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.97664

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-4.42336

>  <SCORE.INTRA.DIHEDRAL>
1.52872

>  <SCORE.INTRA.DIHEDRAL.0>
2.31484

>  <SCORE.INTRA.POLAR>
-0.612062

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.151142

>  <SCORE.INTRA.REPUL.0>
0.151142

>  <SCORE.INTRA.VDW>
-2.351

>  <SCORE.INTRA.VDW.0>
2.46104

>  <SCORE.INTRA.norm>
-0.221168

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.148832

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000296

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  214.0124  208.2306  243.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8324  207.9411  241.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3576  207.0233  241.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0856  206.3679  243.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1910  206.6880  244.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6511  207.5966  244.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2492  205.3198  243.6441 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3984  204.4491  244.9699 P   0  0  0  0  0  0  0  0  0  0  0  0
  208.8411  203.4558  244.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6709  203.5494  245.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5238  202.8058  244.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5208  201.9568  243.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6497  201.8696  243.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7784  202.6185  243.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8318  203.2264  244.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6487  201.8519  244.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7191  200.9933  243.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0256  201.4632  243.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2633  202.8103  244.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1989  203.6778  244.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5697  203.4489  246.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1767  204.0224  247.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3238  203.2647  248.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8656  201.9474  248.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2394  201.4112  247.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0914  202.1666  246.5784 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
160.07071015,-113.68316927,-108.77396139,22.39149380,210.88575606,203.87870878
244.77716534,0.87573636,-0.29178510,-0.74134614

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444333/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19016

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-2.20984

>  <SCORE.INTRA.DIHEDRAL>
-0.555204

>  <SCORE.INTRA.DIHEDRAL.0>
18.8016

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-0.994657

>  <SCORE.INTRA.norm>
-0.084994

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.276544

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  207.4202  199.2722  245.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0475  198.5279  246.4501 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9472  197.1460  246.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9473  196.3627  245.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4628  194.9640  245.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0525  195.0908  246.1441 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8051  196.3966  246.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7368  196.8060  246.9085 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5307  198.7426  247.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
93.11859356,207.52457994,196.83611067,246.14916732,-1.60499115,-0.35451488
3.08206001

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444334/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31023

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
0.00739629

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.170602

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.788779

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.210711

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  193.1614  213.4461  251.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4621  212.9432  250.8802 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6868  211.6531  251.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5089  211.2952  252.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7287  210.0020  253.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1468  209.0799  252.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2949  209.4087  250.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0509  210.7174  250.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1768  210.9374  248.9833 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3082  211.7445  248.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7010  208.3447  249.9844 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8244  208.4776  249.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6629  209.5830  254.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8076  208.3358  255.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8366  206.8257  254.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9033  206.0733  255.2714 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5204  205.0010  256.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4974  204.1223  255.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2688  204.8007  254.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0748  203.8787  253.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2757  204.0543  252.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6609  205.1747  251.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9794  206.1984  252.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8632  206.0823  253.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6386  205.2525  250.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9030  203.1536  251.2912 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9789  202.3698  251.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4324  206.2118  249.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 28  1  0  0  0  0
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M  END
>  <CHROM.1>
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-33.70540193,-162.97888268,195.05205498,207.76555306,252.17262468,1.84170698
1.08384752,-0.61006884

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444335/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
8.8138

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.184614

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  204.0851  192.4151  247.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6483  193.8709  247.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3374  194.3601  249.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9150  195.8317  249.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6516  196.3564  250.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8851  196.2659  251.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9903  195.4976  252.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8366  197.1398  251.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1082  196.9718  251.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7418  195.6599  251.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1348  194.6949  252.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9631  194.8591  253.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7308  193.4415  251.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8643  193.1516  250.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4593  191.9667  249.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5606  191.7286  248.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0214  192.6593  247.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1897  190.4872  248.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7165  189.5110  248.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4400  188.3297  248.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1137  187.5154  249.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9087  186.3135  248.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1216  186.2384  247.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8249  186.5631  246.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3169  188.0004  246.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8558  188.0462  246.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1438  189.0122  245.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1354  187.6477  250.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
179.24478423,-177.78419369,60.77615756,-111.65447324,-171.15839564,66.42938649
-123.24137011,-3.15270381,179.74534413,-0.65586585,169.44019940,207.57080951
191.99444958,249.42695485,2.38601773,-0.63264954,0.94899504

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444336/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.02007

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
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>  <SCORE.norm>
0.322145

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.036263

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  9  0  0  0  0  0  0  0  0999 V2000
  204.5696  185.5970  244.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7093  184.3677  245.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1479  185.6661  244.9007 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3914  186.2498  245.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7258  185.6226  246.7440 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5025  187.6452  245.8803 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4521  188.5036  246.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8256  188.4057  244.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
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0.70618450,-0.34094861

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-0.245056

>  <SCORE.INTRA.DIHEDRAL>
-2.81365e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.96004

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.245041

>  <SCORE.INTRA.VDW.0>
-0.0733256

>  <SCORE.INTRA.norm>
-0.0306319

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.894368

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.358951

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  200.6260  188.4062  249.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1793  188.2358  248.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6114  187.6959  248.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1236  187.5782  246.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5775  187.0992  246.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5819  188.1559  247.0984 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5335  188.3142  248.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4031  189.4687  249.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1548  189.5650  250.7677 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.1474  190.4310  251.5822 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.9540  191.9146  251.2237 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5052  192.3428  251.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5626  191.3806  250.7196 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8167  190.0215  251.0533 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2216  191.6724  251.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7832  192.7410  252.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6304  190.0164  251.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2170  190.2271  250.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0107  189.3350  249.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5972  189.5187  248.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0444  190.7621  247.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6091  191.8499  247.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8451  190.5705  246.8342 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8959  187.7604  246.7333 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6802  191.0386  250.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5562  192.5794  252.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4913  191.3776  246.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4792  188.5178  246.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 12  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <CHROM.1>
-178.64588027,177.54953155,-69.95434444,72.28327366,-128.72539514,169.07065800
125.61457007,66.97546787,-58.38559807,178.37599059,-136.92061164,-7.04652815
96.11009492,179.01071622,205.58525669,189.82909104,249.21787818,3.00799208
-0.23612887,-2.24141522

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444346/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.44779

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.641667

>  <SCORE.INTRA>
-6.95221

>  <SCORE.INTRA.DIHEDRAL>
-1.26425

>  <SCORE.INTRA.DIHEDRAL.0>
5.30975

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.92009

>  <SCORE.INTRA.VDW.0>
-0.813807

>  <SCORE.INTRA.norm>
-0.289675

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.351991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004542

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 38  0  0  0  0  0  0  0  0999 V2000
  203.8591  203.5060  259.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5379  204.0321  259.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8879  203.8697  258.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5455  205.0282  257.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9217  204.8969  256.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6062  203.6096  256.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9142  202.4573  256.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5352  202.6077  258.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6484  201.0710  256.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1545  200.8987  254.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4778  200.0968  254.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8396  199.9260  252.7352 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9347  200.5762  252.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6629  201.3811  253.1203 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2721  201.5242  254.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1117  202.3234  255.1712 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3045  200.4532  251.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5139  205.8746  255.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4028  206.9646  255.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7345  208.0548  254.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4652  207.4931  253.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7018  207.0840  252.4575 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3719  206.6202  251.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5793  205.3092  250.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4519  204.1085  251.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6574  203.1977  250.4560 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9936  204.1413  252.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6867  208.2601  252.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8012  208.2348  252.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2007  209.3633  251.8338 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8968  206.7094  258.7120 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.0626  203.2969  254.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0545  201.9582  255.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2561  201.3580  250.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1756  199.9475  250.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5315  203.3575  252.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8034  210.1305  251.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  6  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 37  1  0  0  0  0
M  END
>  <CHROM.1>
-116.14807159,43.12121551,48.26566686,-145.84182958,116.60836055,-111.78054863
-172.22907969,-65.51981094,-62.85017275,-175.98823294,-66.74735738,116.14449506
-76.20550173,-118.31022949,177.36690285,179.27495887,201.73403603,204.57641017
255.06796972,0.36561523,1.52397336,2.39728542

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444347/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.47971

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
2.68192

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.209023

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000155

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  198.4500  214.8464  257.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3278  215.5348  256.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7980  214.6512  255.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6430  215.1560  254.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
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  197.0065  214.0918  253.2697 C   0  0  1  0  0  0  0  0  0  0  0  0
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  194.6878  213.6462  252.5408 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.9867  214.4276  254.5575 F   0  0  0  0  0  0  0  0  0  0  0  0
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  197.6183  214.2123  251.9330 N   0  0  0  0  0  0  0  0  0  0  0  0
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  201.3315  212.4725  250.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
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  200.4127  213.6331  252.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2075  215.0143  251.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
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  199.0415  213.0875  254.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  1  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
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 15 16  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
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 22 23  2  0  0  0  0
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M  END
>  <CHROM.1>
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-0.33216058,-65.63502652,-73.03780408,197.96679178,213.81915937,252.25356319
-1.88826204,0.29386622,-1.71317838

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
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>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.92145

>  <SCORE.INTRA.VDW.0>
-1.99587

>  <SCORE.INTRA.norm>
-0.362581

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.170753

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  199.7039  212.0136  248.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7643  211.1229  247.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2009  211.2198  246.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5979  212.2587  245.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7048  213.1327  245.9944 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1395  213.0817  247.3783 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.3112  214.4688  248.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3916  215.1643  248.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6083  214.8534  248.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1182  212.3367  244.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9658  211.5985  243.7678 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5234  213.3482  243.5577 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6370  215.7412  248.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8831  213.7900  244.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
0.46479890,-111.18039614,-179.68621045,-0.84761927,200.25292132,212.95999080
246.45388384,-2.67858756,1.11658318,-1.00903826

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444350/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49728

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.902719

>  <SCORE.INTRA.DIHEDRAL>
-1.7011

>  <SCORE.INTRA.DIHEDRAL.0>
2.57404

>  <SCORE.INTRA.POLAR>
0.344731

>  <SCORE.INTRA.POLAR.0>
-0.722277

>  <SCORE.INTRA.REPUL>
-0.00699195

>  <SCORE.INTRA.REPUL.0>
0.00699195

>  <SCORE.INTRA.VDW>
-1.1893

>  <SCORE.INTRA.VDW.0>
1.18817

>  <SCORE.INTRA.norm>
-0.0752266

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.54144

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  214.1801  197.6737  246.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7442  198.4206  247.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5854  199.5539  246.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7970  199.8545  245.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0984  200.2257  247.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3338  196.5340  246.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1011  196.2123  247.6519 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8432  195.8837  245.4287 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6603  200.9916  247.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2732  195.1156  245.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
0.09193748,0.14870136,-179.61955089,179.96147694,214.46049052,198.04488933
246.58053346,-3.06413427,0.93039134,1.58208130

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444351/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.26685

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-1.13315

>  <SCORE.INTRA.DIHEDRAL>
0.00116382

>  <SCORE.INTRA.DIHEDRAL.0>
5.70818e-07

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13373

>  <SCORE.INTRA.VDW.0>
1.17595

>  <SCORE.INTRA.norm>
-0.141643

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.783357

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021324

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 39  0  0  0  0  0  0  0  0999 V2000
  200.0608  213.5548  250.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0841  215.0740  250.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6894  215.8263  249.2631 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.6301  215.4646  248.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1014  215.7687  248.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2325  215.4523  248.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7300  216.0979  247.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2922  216.0050  247.4216 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6606  214.7944  247.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8415  213.9478  246.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5315  214.5575  248.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9168  213.4879  248.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3418  215.5988  249.1743 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1969  215.6029  250.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6728  214.8607  251.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7542  214.7364  252.6823 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.0658  214.1995  253.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0464  213.7942  255.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9039  213.7998  252.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5060  212.3978  251.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3977  216.1539  253.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5224  216.2132  254.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7805  215.6932  253.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8860  215.7397  254.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7802  216.3359  255.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5588  216.8592  256.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4380  216.7962  255.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0026  217.4961  255.9538 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.8287  217.3996  249.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0519  218.0150  250.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7054  218.3825  250.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9665  219.0685  251.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5734  219.4423  252.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8968  219.0781  252.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6274  218.3625  251.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2437  217.9511  252.3455 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.7180  216.7485  247.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3882  215.9619  249.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  2   3   1  16   1
M  END
>  <CHROM.1>
-58.78117656,-58.10409537,-177.51855920,-56.35793497,-165.28295330,-65.33832804
-58.05274110,-176.88663446,-83.19581619,-90.60819478,171.75090953,170.26508629
169.70860869,-56.09230066,-176.66622341,72.23226435,-83.99414442,197.67523844
216.02027370,251.48404203,-1.78436723,0.43802910,1.35667150

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444352/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.0595

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.622222

>  <SCORE.INTRA>
-7.34047

>  <SCORE.INTRA.DIHEDRAL>
-1.17479

>  <SCORE.INTRA.DIHEDRAL.0>
6.3223

>  <SCORE.INTRA.POLAR>
-0.0365745

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.62872

>  <SCORE.INTRA.VDW.0>
6.32413

>  <SCORE.INTRA.norm>
-0.203902

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.41832

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008219

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  207.6929  198.3037  248.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5910  197.4604  248.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6795  196.2165  249.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8785  195.7789  250.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9900  196.6655  250.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8830  197.9080  249.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2120  196.3119  250.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3705  195.0922  251.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3017  194.2088  251.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0617  194.5321  250.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9919  193.5021  251.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8254  193.7343  250.5295 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8586  192.7891  250.6382 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6352  193.0392  250.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3608  194.0467  249.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6068  191.9727  250.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3593  192.1804  249.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3558  191.2140  249.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6032  190.0474  250.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8271  189.8384  250.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8329  190.8031  250.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6574  189.0733  250.4698 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0768  191.8943  251.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8616  189.3510  249.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-0.17161980,-177.10288547,-179.69045825,0.38067242,205.28796743,193.78108364
250.26438468,0.57348283,-0.31972007,-0.45409554

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444353/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.02625

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.37375

>  <SCORE.INTRA.DIHEDRAL>
-3.20111

>  <SCORE.INTRA.DIHEDRAL.0>
3.23575

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.226808

>  <SCORE.INTRA.VDW.0>
0.235456

>  <SCORE.INTRA.norm>
-0.062443

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.319375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004519

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 39  0  0  0  0  0  0  0  0999 V2000
  190.3325  214.1720  268.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1761  212.9572  267.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6134  212.9062  267.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1891  211.6451  267.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3790  210.5864  266.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9963  210.6490  266.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4072  211.8085  267.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9459  209.4032  266.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2315  208.4686  265.8267 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3755  209.3921  265.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8868  208.4380  264.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2428  208.4465  264.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0881  209.3886  265.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5800  210.3139  266.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2131  210.3320  266.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6579  211.3526  267.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4155  211.9417  268.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4784  214.1273  268.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4155  214.7749  269.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2238  215.8988  269.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2073  216.3231  268.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3637  215.6684  267.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4742  214.6460  267.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6557  214.1608  265.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7339  213.6626  265.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9891  214.2770  265.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3300  213.4781  264.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6167  213.5381  263.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5532  214.4320  263.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2032  215.2612  265.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9239  215.1737  265.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5520  216.0261  266.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2594  216.9848  267.0403 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5435  214.3722  270.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 32  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
61.14594526,194.55321894,212.80078036,266.64346772,2.14899593,-0.53481882
-2.75553740

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444354/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.51868

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.188235

>  <SCORE.INTRA>
-0.881317

>  <SCORE.INTRA.DIHEDRAL>
0.632823

>  <SCORE.INTRA.DIHEDRAL.0>
2.76131

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.19773

>  <SCORE.INTRA.VDW.0>
-2.5842

>  <SCORE.INTRA.norm>
-0.0259211

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.162314

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005050

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  217.0808  199.1454  252.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2045  199.0999  251.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7154  200.0809  250.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9368  199.5837  249.4315 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7366  198.2836  249.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6971  197.5696  250.7798 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.9319  197.4828  248.6986 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8541  196.0084  248.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1687  195.2522  248.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2189  195.6436  250.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2490  198.1164  247.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4231  199.2895  247.2785 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2835  197.3115  246.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2284  196.5749  247.4857 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2373  197.4761  248.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5622  195.6633  246.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0239  201.5152  250.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8229  202.0664  251.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1609  203.4220  251.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6898  204.2656  250.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8472  203.7549  249.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5102  202.3932  249.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0972  205.5686  250.7098 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5367  206.1689  249.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-2.42751038,176.44934502,-64.22600570,53.73360910,69.79060340,135.50992777
214.76062920,199.50727932,249.54075663,-0.83200632,0.75687172,2.91496550

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444355/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39841

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-4.00159

>  <SCORE.INTRA.DIHEDRAL>
-8.21141

>  <SCORE.INTRA.DIHEDRAL.0>
13.4974

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.104114

>  <SCORE.INTRA.VDW.0>
0.427463

>  <SCORE.INTRA.norm>
-0.166733

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.308267

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000547

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  203.2348  182.2054  247.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1730  183.5947  247.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4795  184.0156  246.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8942  183.2269  245.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2458  183.8571  244.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1759  185.2621  244.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7988  186.0182  245.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4243  185.4092  246.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7640  185.7883  243.1512 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7359  186.9709  242.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9387  188.2764  243.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6759  189.2287  242.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3734  190.3935  242.3278 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6684  188.6392  240.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9310  189.2790  239.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3672  190.6789  239.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2092  191.1984  240.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7082  192.4986  240.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3607  193.2813  239.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5119  192.7802  238.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0138  191.4790  238.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0805  195.0201  239.1650 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.3503  186.9666  240.9075 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.0216  188.8031  244.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3766  189.4558  244.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6996  188.6471  244.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4632  188.1229  243.8732 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7418  188.9529  242.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8214  188.5865  241.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0073  187.2168  241.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6970  186.3325  242.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4536  186.6981  243.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-6.14330322,-170.55580709,117.76276876,35.75922037,-68.26490541,74.20796684
46.02868807,202.25728122,188.90036660,242.28395158,-1.58654851,-0.73122033
-0.61761894

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444356/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4783

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-6.9217

>  <SCORE.INTRA.DIHEDRAL>
-11.9041

>  <SCORE.INTRA.DIHEDRAL.0>
19.8942

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.969644

>  <SCORE.INTRA.VDW.0>
-3.10117

>  <SCORE.INTRA.norm>
-0.216303

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.171197

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  214.3546  187.6750  248.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2625  187.1977  246.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0287  187.7261  245.7546 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9039  188.7585  246.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6424  189.2295  245.2161 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9834  189.2347  247.3323 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2367  188.7160  248.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3782  189.2151  249.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9183  187.1231  244.4011 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.2396  187.9955  243.3247 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.6921  187.2425  242.0856 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.1415  186.8750  242.4948 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.1843  186.7275  243.9076 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6941  185.6223  241.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9706  184.4807  242.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8652  186.1194  241.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6953  189.3328  243.3403 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8412  188.8072  250.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.0463  189.9735  249.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0159  184.6703  241.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9289  186.3953  241.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.6845  189.3735  243.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9  3  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 12  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <CHROM.1>
110.50122563,52.22260208,61.14095410,-64.60356173,54.83704430,215.31271439
187.57911400,244.77418006,2.07672110,1.54854454,0.64749298

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444357/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.403066

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-6.99693

>  <SCORE.INTRA.DIHEDRAL>
-6.54245

>  <SCORE.INTRA.DIHEDRAL.0>
9.82822

>  <SCORE.INTRA.POLAR>
-0.930379

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.562418

>  <SCORE.INTRA.VDW.0>
-1.06715

>  <SCORE.INTRA.norm>
-0.411584

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.0237098

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007793

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 27  0  0  0  0  0  0  0  0999 V2000
  209.2292  181.5986  252.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6581  182.5917  251.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6023  183.7969  251.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2304  182.0161  250.0861 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7370  182.8148  248.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8355  183.3006  248.0086 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.9202  184.1373  248.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8702  185.5393  248.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8597  186.3148  249.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9079  185.6898  249.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0159  184.3051  249.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0212  183.5353  249.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8623  186.5279  250.5021 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6256  186.0720  251.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5338  184.9678  252.1167 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5914  187.1676  252.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9806  188.3369  252.3601 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.3334  186.7995  253.1010 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.4840  187.4818  251.0354 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.4865  182.2656  247.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3252  182.6697  246.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4919  183.8475  245.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9465  181.4708  245.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6975  181.8134  244.4330 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.7723  180.7632  246.3396 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.0079  180.5890  245.0698 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.2475  181.0096  249.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
87.73226133,-58.36622273,-98.32627527,171.23262817,155.49964348,-1.65371141
57.75463722,-3.97552957,174.30058882,211.31867118,184.08637269,249.24730043
2.17865868,-0.53844086,-1.98994875

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444358/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.99889

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-8.40111

>  <SCORE.INTRA.DIHEDRAL>
-15.1473

>  <SCORE.INTRA.DIHEDRAL.0>
20.1157

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.827461

>  <SCORE.INTRA.VDW.0>
-2.80264

>  <SCORE.INTRA.norm>
-0.32312

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.230727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001934

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  196.8012  210.9319  258.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3226  211.9815  257.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0740  212.5444  257.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2904  212.0663  258.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7770  211.0004  259.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0270  210.4397  259.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9457  212.6886  259.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0194  213.9410  259.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0242  215.2098  259.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0683  216.3682  260.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1063  216.2581  261.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1127  215.0116  262.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0673  213.8550  261.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1336  217.3613  262.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1363  218.1511  261.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-83.05685741,95.49848722,-0.92054300,194.10919183,213.62030990,259.84420215
-0.23125626,1.11706981,-0.76562491

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444359/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34698

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.0530192

>  <SCORE.INTRA.DIHEDRAL>
-0.0600544

>  <SCORE.INTRA.DIHEDRAL.0>
1.48374

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0229921

>  <SCORE.INTRA.VDW.0>
-0.681166

>  <SCORE.INTRA.norm>
-0.00378709

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.524784

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.049481

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  196.0745  221.4125  257.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7549  220.9443  256.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0769  220.1695  255.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7131  219.7259  254.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0596  220.0954  254.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7409  220.8589  254.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0942  221.2811  256.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9993  218.9496  253.2023 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4633  218.4496  251.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6492  218.5870  251.5157 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8524  217.9942  250.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9216  218.0278  249.7027 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6257  217.2932  249.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7485  216.6866  248.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0155  215.8801  247.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7738  215.5096  246.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2611  214.7188  245.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9608  214.2462  245.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1718  214.6410  246.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6911  215.4449  247.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3825  213.4147  244.5425 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2359  212.3942  244.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6838  211.4077  245.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9406  211.1513  245.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3717  217.4930  250.9480 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.0366  218.7548  253.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 25  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
179.43809220,0.44761191,-179.27664698,38.44159753,64.14058014,-118.82899823
196.38844808,217.06546813,250.12042695,1.43880318,0.22537985,0.97443584

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444360/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1461

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-1.25388

>  <SCORE.INTRA.DIHEDRAL>
-0.345676

>  <SCORE.INTRA.DIHEDRAL.0>
2.28786

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08104

>  <SCORE.INTRA.VDW.0>
0.158429

>  <SCORE.INTRA.norm>
-0.0501553

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.405845

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  208.6903  208.8174  239.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8088  207.9537  240.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0744  206.8991  240.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7416  206.4253  241.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8336  207.2460  242.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8727  208.1849  241.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8463  207.1131  243.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9490  207.8592  243.4503 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.6453  207.3328  244.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8366  207.7187  245.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2457  206.9420  246.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4937  205.8368  246.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2942  205.4594  246.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9028  206.2429  244.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8096  206.1732  244.1719 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3545  209.0449  242.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6410  206.1887  240.1047 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.8489  207.3987  239.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2171  205.6144  238.8952 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2705  205.2665  241.1684 O   0  5  0  0  0  0  0  0  0  0  0  0
  210.0668  205.4840  244.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  2   8   1  20  -1
M  END
>  <CHROM.1>
-52.27015280,179.21601820,209.87555831,206.93772628,242.36245751,-2.66398119
0.57654802,2.34690716

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444378/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.23868

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-0.161318

>  <SCORE.INTRA.DIHEDRAL>
-0.0835248

>  <SCORE.INTRA.DIHEDRAL.0>
1.23306

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.119556

>  <SCORE.INTRA.VDW.0>
-1.23519

>  <SCORE.INTRA.norm>
-0.0080659

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.361934

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000063

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  213.9977  185.2651  256.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6704  185.7160  255.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8150  185.0583  254.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3124  185.4659  253.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6901  186.4914  252.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6012  187.1656  253.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1018  186.7850  254.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0852  186.7298  251.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0315  185.9713  250.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8881  185.1138  251.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9363  184.6269  251.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4360  184.8521  252.6970 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3155  185.7930  249.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5510  184.6988  248.4500 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0693  184.8357  248.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4652  184.4281  249.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4587  185.0295  250.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1585  184.3308  251.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0021  183.2671  251.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1544  183.1213  250.7295 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.1016  183.4323  248.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3729  182.3063  247.1371 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.2809  183.1402  248.8102 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7729  181.8065  249.1881 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2796  181.8432  249.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0254  181.2912  250.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1593  181.8961  251.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4854  181.3855  252.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6691  180.2643  252.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5208  179.6550  251.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1906  180.1665  250.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3701  183.8464  255.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0099  184.2181  253.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.8651  183.8881  249.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-88.76085600,59.30583173,-79.58658339,138.42317270,159.95566154,-66.90609315
216.33444903,183.82297390,251.17640726,-2.49505905,1.03383117,-1.31695922

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444380/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.92189

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-6.47811

>  <SCORE.INTRA.DIHEDRAL>
2.72113

>  <SCORE.INTRA.DIHEDRAL.0>
8.67094

>  <SCORE.INTRA.POLAR>
-0.306076

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.79801

>  <SCORE.INTRA.VDW.0>
-4.26813

>  <SCORE.INTRA.norm>
-0.202441

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.153809

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  201.0152  193.7514  240.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3948  193.3779  241.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3635  192.6775  242.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4692  193.8678  242.5858 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6508  193.5607  243.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5971  192.0546  244.2892 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.3155  191.3171  243.8766 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.2379  191.7052  244.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6877  191.3599  246.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8652  192.1048  246.5578 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.9110  191.7481  245.6447 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3365  191.7739  247.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5040  190.4431  248.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8264  190.1496  249.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9827  191.1734  250.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8205  192.4989  250.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4937  192.7949  248.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4483  189.7740  243.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4559  189.0885  242.9496 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.2264  189.4940  241.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9192  189.3362  243.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2315  187.5746  243.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  1  19   1
M  END
>  <CHROM.1>
177.81334337,-62.07296763,-57.49312458,-63.96916276,50.15356244,-53.55946460
200.44775820,191.42612848,244.99235725,-1.18735270,1.44501313,1.21455220

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444381/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.17835

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-2.22165

>  <SCORE.INTRA.DIHEDRAL>
-3.60076

>  <SCORE.INTRA.DIHEDRAL.0>
4.78482

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.421269

>  <SCORE.INTRA.VDW.0>
-1.46929

>  <SCORE.INTRA.norm>
-0.100984

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.417198

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.212286

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  198.0695  206.8069  246.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6743  206.4947  247.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4985  207.4152  248.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4726  205.0835  248.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6945  204.1034  247.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5124  202.7483  247.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0865  202.3502  248.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8628  203.3095  249.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0830  204.6870  249.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8388  205.6223  250.4726 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9644  205.9827  251.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6236  207.2117  252.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4460  207.1133  253.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5301  208.3797  251.4369 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3475  209.6972  251.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1722  210.7679  251.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9565  212.0696  251.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9263  212.3059  252.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1378  211.2619  253.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3549  209.9703  253.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6224  213.8889  253.4886 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.1750  210.6149  249.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0313  211.7916  248.8397 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.3256  210.0579  249.0511 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.1652  209.8155  249.0751 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.0335  205.3312  251.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4579  208.2458  250.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
0.56374135,-91.65803237,167.55605424,110.02999957,-175.24753182,-177.97331474
197.26035565,208.42063674,250.38031145,-0.50864687,1.50922480,-0.59023401

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444382/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.12951

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-14.5295

>  <SCORE.INTRA.DIHEDRAL>
-2.88358

>  <SCORE.INTRA.DIHEDRAL.0>
5.59397

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.68772

>  <SCORE.INTRA.VDW.0>
8.19852

>  <SCORE.INTRA.norm>
-0.581181

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
-0.125181

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  192.1196  211.0699  248.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5670  211.6627  249.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0555  211.2908  251.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5754  211.9716  252.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5519  212.9650  252.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0413  213.2977  250.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5653  212.6580  249.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9969  214.2572  250.8177 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9712  210.2100  251.4518 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.5156  208.8035  251.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6903  208.4984  250.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4733  207.9186  250.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8666  206.5862  250.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5235  210.1268  252.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0226  211.2928  253.4232 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.5400  209.2023  253.1212 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.5190  209.7648  253.7897 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.8069  210.4621  250.6224 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2312  214.6098  251.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.2463  209.6651  250.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  6  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
67.23495949,0.28130942,15.35693884,58.57599930,168.74545899,179.38765650
191.75562692,210.58977253,251.47135609,-0.40451145,-0.87718847,-2.30419529

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444383/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.66146

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-7.73854

>  <SCORE.INTRA.DIHEDRAL>
-8.67588

>  <SCORE.INTRA.DIHEDRAL.0>
10.5742

>  <SCORE.INTRA.POLAR>
0.0640223

>  <SCORE.INTRA.POLAR.0>
-0.265603

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.61828

>  <SCORE.INTRA.VDW.0>
3.40718

>  <SCORE.INTRA.norm>
-0.429919

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.0923033

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  194.3263  203.8242  258.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9856  202.6165  257.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9310  201.9528  256.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0828  203.1237  256.9266 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8765  202.1380  256.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3864  201.6342  258.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4313  202.0363  259.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
176.17678221,-66.75380110,195.44999997,202.46920362,257.75409996,1.72380517
-0.29626745,1.64910246

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444385/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86737

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.532634

>  <SCORE.INTRA.DIHEDRAL>
0.31021

>  <SCORE.INTRA.DIHEDRAL.0>
0.019014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.687739

>  <SCORE.INTRA.VDW.0>
6.7459

>  <SCORE.INTRA.norm>
-0.0760906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.981052

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043333

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  206.1439  219.8029  254.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5216  219.0113  255.2838 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.5801  217.6832  255.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8814  217.3713  256.5208 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3452  218.4967  257.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7475  219.4478  256.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4287  216.6299  254.3643 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.8121  215.1087  255.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5073  214.3499  255.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6968  214.7157  256.3823 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3154  213.2515  254.7077 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1944  212.5051  254.9254 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0690  211.4226  254.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9204  210.4915  254.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9236  210.8055  255.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8621  209.8559  255.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7967  208.7104  254.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8090  208.4661  253.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8703  209.3518  253.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7298  206.7831  252.4669 I   0  0  0  0  0  0  0  0  0  0  0  0
  199.2048  210.0898  256.7487 I   0  0  0  0  0  0  0  0  0  0  0  0
  201.9880  211.8478  256.1150 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.7237  216.4477  256.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0135  212.8753  254.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  2   2   1  22  -1
M  END
>  <CHROM.1>
157.12380703,70.02741895,-75.71709546,-175.30844877,0.82823312,202.49695525
211.53654896,254.89752291,-1.00346361,-0.62563316,-2.62707363

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444386/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.15609

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-4.24391

>  <SCORE.INTRA.DIHEDRAL>
0.256117

>  <SCORE.INTRA.DIHEDRAL.0>
1.89733

>  <SCORE.INTRA.POLAR>
-0.978336

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.04562

>  <SCORE.INTRA.VDW.0>
-0.170031

>  <SCORE.INTRA.norm>
-0.192905

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.279822

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  218.7551  183.9080  256.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6330  184.2737  257.6290 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9262  184.7550  258.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5662  185.2821  257.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1481  184.6912  257.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0439  183.7723  258.9329 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7790  183.0862  258.9540 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6363  182.1335  257.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7191  181.3384  257.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6071  180.5085  256.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4150  180.4619  255.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3251  181.2269  255.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4321  182.0517  257.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6295  182.3327  260.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5812  181.3839  260.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3764  180.6143  261.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2158  180.7913  262.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2692  181.7385  262.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4730  182.5064  261.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9142  179.7161  264.1073 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
81.27748949,59.61052416,-174.43371542,67.79137374,41.63202615,-56.55881869
215.23881878,181.86988337,259.90374253,-1.05616229,0.68096452,1.70503162

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444387/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2787

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-1.12125

>  <SCORE.INTRA.DIHEDRAL>
0.714797

>  <SCORE.INTRA.DIHEDRAL.0>
1.93058

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.47865

>  <SCORE.INTRA.VDW.0>
-0.515208

>  <SCORE.INTRA.norm>
-0.0560625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.513937

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012368

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  196.6424  199.6550  250.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9245  200.9828  249.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6639  201.7951  249.3629 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.8936  201.0261  248.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7194  202.0647  250.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3729  202.8180  251.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2132  203.1135  248.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1668  204.0339  248.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2157  204.5263  249.0709 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5954  205.5421  249.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7067  206.0703  249.8958 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6294  205.9195  250.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0068  206.8279  251.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1148  207.1459  252.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8486  206.5647  253.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4714  205.6611  252.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3670  205.3295  250.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0812  204.3452  249.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9701  203.9643  249.0473 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7166  203.7045  249.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-65.58980499,58.20000332,172.65471717,63.48332732,76.51544830,194.18166677
203.96323294,250.28449930,-0.99399425,-0.08095894,0.49171509

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444388/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48131

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-1.91869

>  <SCORE.INTRA.DIHEDRAL>
-0.184544

>  <SCORE.INTRA.DIHEDRAL.0>
2.65855

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.82642

>  <SCORE.INTRA.VDW.0>
4.6799

>  <SCORE.INTRA.norm>
-0.0959347

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.424065

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.033522

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  183.5171  212.4047  266.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7155  213.5158  265.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6196  214.4759  265.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8082  215.5837  264.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7124  216.5307  263.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3758  215.8317  262.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8216  215.5842  261.3460 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.6883  214.9229  260.4936 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8359  214.6505  261.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9893  215.2630  262.6529 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.8564  213.9858  260.4306 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8367  213.5167  259.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9600  213.7390  258.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1303  212.7671  258.7561 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.3389  213.6969  258.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2174  214.6496  257.6213 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7174  214.0826  256.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7761  214.8565  255.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2971  214.3404  254.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7637  213.0511  254.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6924  212.2802  255.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1519  212.8050  256.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9968  212.0127  257.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7039  213.8908  260.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  6  0  0  0
 14 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.33751926,-179.10091708,64.70711351,80.95104565,-0.01502150,-68.16565537
186.25880758,214.16351760,260.04943772,-2.58252022,0.97953192,-0.77854482

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444389/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.66242

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-1.73758

>  <SCORE.INTRA.DIHEDRAL>
-2.38371

>  <SCORE.INTRA.DIHEDRAL.0>
4.87142

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.545721

>  <SCORE.INTRA.VDW.0>
-1.72967

>  <SCORE.INTRA.norm>
-0.0755468

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.420105

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 66 68  0  0  0  0  0  0  0  0999 V2000
  187.8705  214.6426  264.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6066  214.1961  263.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0156  215.4315  262.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8839  213.4293  263.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6374  213.1236  262.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9050  211.9695  262.5655 P   0  0  1  0  0  0  0  0  0  0  0  0
  190.9607  210.8459  262.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5337  212.5656  261.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1725  210.8155  262.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9694  209.8570  264.1165 P   0  0  1  0  0  0  0  0  0  0  0  0
  192.5958  210.5370  265.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8686  208.8074  263.5857 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1650  208.7940  264.2981 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6342  208.0529  263.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9524  208.8826  261.9084 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1042  209.9239  261.7229 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.9260  210.2363  260.2262 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4658  208.8834  259.6491 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8573  208.1113  260.6998 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5732  208.9398  258.5173 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8206  208.4154  257.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8112  208.6059  256.4521 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8680  209.2840  257.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5883  209.7781  256.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9242  210.4756  257.8492 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5060  210.6381  259.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7121  210.1908  259.4676 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3327  209.5137  258.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9775  209.6086  255.6634 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0844  211.3803  260.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5014  209.6406  261.9103 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7430  209.1752  263.5590 P   0  0  0  0  0  0  0  0  0  0  0  0
  197.7840  207.6950  263.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2912  209.6584  263.4632 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9846  208.7097  265.2075 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7383  213.2099  262.3084 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.4084  211.9244  263.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3684  211.8441  263.7214 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3365  210.9124  262.9602 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1826  209.6581  263.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8951  209.6450  265.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3781  210.7119  265.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1035  211.5224  266.5253 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0097  210.6563  266.1606 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4133  209.8529  267.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9869  210.2435  267.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2759  209.2619  268.9678 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.5990  209.7927  269.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1715  210.5761  268.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.7113  209.2461  270.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2043  209.4523  271.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3888  210.8870  271.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6076  211.5578  272.5452 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5507  211.3915  271.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5388  213.8817  261.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1186  211.9047  260.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1784  209.2440  263.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.5670  208.6898  255.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5319  209.9864  254.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7107  211.4349  259.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5334  209.7294  262.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7181  208.0633  265.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1603  211.0472  262.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.4210  210.8725  265.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.6773  212.3289  271.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.8252  214.5528  261.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 56  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  1  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 57  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  6  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 37  1  1  0  0  0
 36 55  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 63  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 64  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 65  1  0  0  0  0
 55 66  1  0  0  0  0
M  END
>  <CHROM.1>
-174.38960425,-61.33274148,-166.97945822,93.59422697,-156.01112194,-151.92314722
-47.09364411,-41.29845201,-45.51239936,49.10740876,67.66562794,-61.93689114
-161.47833421,119.83820706,79.34579247,100.59544887,-17.64167611,93.15520634
93.13293549,68.81768643,-93.08213092,60.41531748,-127.10136235,89.26522886
159.80152352,-178.63054403,-171.55645897,4.91501766,55.20746439,59.47297088
100.33590864,-179.69453181,190.69680693,210.47396087,263.50276590,2.55096624
-0.26369150,1.79094673

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444390/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.48825

>  <SCORE.INTER>
30.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
25

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552727

>  <SCORE.INTRA>
-37.8882

>  <SCORE.INTRA.DIHEDRAL>
-21.9568

>  <SCORE.INTRA.DIHEDRAL.0>
42.3292

>  <SCORE.INTRA.POLAR>
-2.81653

>  <SCORE.INTRA.POLAR.0>
-1.04753

>  <SCORE.INTRA.REPUL>
-0.921852

>  <SCORE.INTRA.REPUL.0>
0.941007

>  <SCORE.INTRA.VDW>
-12.7244

>  <SCORE.INTRA.VDW.0>
0.291793

>  <SCORE.INTRA.norm>
-0.688877

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
-0.13615

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.108103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  201.9421  200.3413  248.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6377  199.8556  247.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4789  200.5327  247.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5359  199.6479  247.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3897  199.9739  246.9137 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2404  198.4772  246.8989 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5276  198.5732  247.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8022  197.3043  246.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6559  196.1977  246.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2172  195.0238  245.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9235  194.9447  245.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0682  196.0359  245.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5038  197.2054  245.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1117  201.8583  248.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9434  202.3968  248.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7480  203.7087  248.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7636  204.6855  248.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5306  205.9578  249.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3032  206.2946  249.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2817  205.3476  249.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4983  204.0832  249.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1098  207.8867  250.6250 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6221  207.4448  252.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9868  207.1463  253.2324 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0328  204.5909  248.2105 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1953  204.4356  246.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2756  198.3523  246.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  3  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.23263092,-176.75675579,34.64086513,66.70920691,-88.83695137,198.54230330
201.86251398,248.19418775,-1.46396883,-0.04240517,0.43164347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444391/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.56442

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.835579

>  <SCORE.INTRA.DIHEDRAL>
2.21093

>  <SCORE.INTRA.DIHEDRAL.0>
5.71505

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94104

>  <SCORE.INTRA.VDW.0>
0.653884

>  <SCORE.INTRA.norm>
-0.0321377

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.367862

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  192.7294  223.6593  260.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6607  222.6055  260.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2027  221.6317  259.1365 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3446  220.6235  258.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1986  220.5130  259.2134 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0001  219.7227  257.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2357  220.4733  256.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9327  220.9161  255.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1873  221.8983  256.5734 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7356  221.8512  256.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0907  222.8782  255.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8602  224.1478  255.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0803  224.3239  255.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7638  223.2487  256.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7762  225.5546  255.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3471  226.5515  255.4508 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <CHROM.1>
-178.85321164,0.48843922,-65.22794876,-63.94174463,64.79766334,-149.75951051
190.78519013,222.48272431,257.23870035,-0.94489862,-0.92220182,-0.25634615

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444392/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.87361

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-4.52639

>  <SCORE.INTRA.DIHEDRAL>
-4.76154

>  <SCORE.INTRA.DIHEDRAL.0>
6.83746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.14562

>  <SCORE.INTRA.VDW.0>
1.44238

>  <SCORE.INTRA.norm>
-0.282899

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.429601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007886

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  215.4506  189.8196  249.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1570  189.6158  250.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4857  188.2406  251.2025 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.2940  188.1443  252.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4420  189.2478  253.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0978  188.2364  250.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2724  186.9781  250.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3234  187.0561  250.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7231  186.9818  251.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
177.91042868,58.70441484,-178.60313212,60.78969033,214.47179562,188.25779525
251.18428329,0.48709058,-0.03506288,-1.48387816

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444393/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.84269

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-0.557308

>  <SCORE.INTRA.DIHEDRAL>
-0.474547

>  <SCORE.INTRA.DIHEDRAL.0>
0.5171

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.320034

>  <SCORE.INTRA.VDW.0>
7.85713

>  <SCORE.INTRA.norm>
-0.0619231

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.982521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.347445

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  210.0695  196.3313  248.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4654  196.8046  247.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8754  198.0578  248.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1567  198.5880  248.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0698  197.7730  247.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6580  196.5103  246.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3692  196.0338  247.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4962  198.1595  247.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5588  199.8329  248.6608 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9639  199.8823  250.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2040  199.0373  250.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3225  199.5316  250.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0403  197.5667  250.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7516  197.0416  250.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5685  195.6615  250.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6749  194.8047  250.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9628  195.3329  250.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1472  196.7110  250.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5260  193.0923  250.9357 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.9494  195.0767  250.9265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.8630  200.5483  248.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
78.35104232,63.42479697,102.38361183,-12.20852399,213.75911065,196.70662815
249.53812140,1.50639270,-0.50649221,-0.45911462

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444402/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.62843

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-5.77157

>  <SCORE.INTRA.DIHEDRAL>
-3.17811

>  <SCORE.INTRA.DIHEDRAL.0>
5.88233

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.18251

>  <SCORE.INTRA.VDW.0>
0.547839

>  <SCORE.INTRA.norm>
-0.288578

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.181422

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000354

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 42  0  0  0  0  0  0  0  0999 V2000
  206.7852  210.7886  249.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6568  209.9729  250.3180 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.3595  210.7401  250.1782 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0883  211.2533  248.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0903  211.4112  247.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3983  211.0788  248.2743 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8069  211.9261  246.7436 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5518  212.2516  246.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5174  212.1465  247.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6766  211.6137  248.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6950  211.3993  249.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4368  212.7012  245.1011 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4881  210.9024  251.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6387  210.4906  252.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0695  209.5500  251.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1966  208.5230  252.3269 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0513  207.3191  251.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9786  206.2958  251.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9701  205.1288  251.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0378  204.9639  250.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0739  205.9520  249.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0992  207.1234  250.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1532  203.7564  249.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0568  202.9559  249.3935 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2562  203.6734  248.1462 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2143  202.6176  247.1018 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8068  202.0042  247.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7772  202.9196  246.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1891  204.0332  247.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9954  204.8550  247.7557 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9259  203.9974  247.3545 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.6746  203.2407  245.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4027  204.4764  245.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4141  202.5099  245.0058 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.1155  211.4725  247.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.5314  211.8541  246.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7667  213.6435  244.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4965  212.5629  244.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2971  208.8189  252.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5686  204.3926  247.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  1  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  6  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  CHG  2  31  -1  34  -1
M  END
>  <CHROM.1>
-166.73784809,-74.93687231,56.95870516,87.55567676,-0.09745165,127.29394923
73.84155329,-30.46131867,-79.78060166,57.65975855,204.13613248,207.47460253
248.68165003,-1.41520042,1.11576698,-3.08453631

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444403/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.24391

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-7.15609

>  <SCORE.INTRA.DIHEDRAL>
1.27376

>  <SCORE.INTRA.DIHEDRAL.0>
6.32324

>  <SCORE.INTRA.POLAR>
-1.52355

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.6129

>  <SCORE.INTRA.VDW.0>
-0.134492

>  <SCORE.INTRA.norm>
-0.210473

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.242468

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004904

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  200.0323  207.3445  249.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0617  208.2881  249.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0251  209.6631  249.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1785  210.1916  250.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9368  209.1006  250.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2276  207.9463  250.4657 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6687  206.5908  250.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5730  206.3023  252.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1535  206.4658  252.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7226  207.9143  252.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4417  208.8416  253.2266 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4275  208.0288  252.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9434  209.3738  252.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2626  209.0575  251.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4990  211.6031  250.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1097  212.5057  249.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3908  211.9731  251.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7457  211.6475  253.0928 N   0  3  1  0  0  0  0  0  0  0  0  0
  202.5373  210.6379  253.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7233  211.8151  254.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4361  212.4218  253.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4787  211.7580  254.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8889  210.9008  255.0855 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1765  212.2082  254.3106 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2660  211.6785  255.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0261  212.4670  256.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9152  212.2627  255.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8047  212.8252  253.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-27.52464199,-108.34088149,58.63205002,-70.44755244,-41.26484065,-178.96715188
-63.65762540,57.13180986,156.29647438,17.71465714,97.52225369,201.15754630
209.94345545,252.44808285,0.96186717,-0.64374316,-2.70296796

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444404/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.94565

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.630769

>  <SCORE.INTRA>
-8.45435

>  <SCORE.INTRA.DIHEDRAL>
2.44146

>  <SCORE.INTRA.DIHEDRAL.0>
10.9359

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.57508

>  <SCORE.INTRA.VDW.0>
0.185286

>  <SCORE.INTRA.norm>
-0.325167

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.305602

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000178

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  207.0866  196.3373  243.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2852  196.4895  244.7548 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4618  196.8287  244.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6344  197.0839  242.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4470  196.8874  245.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7248  197.2654  244.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7890  197.3124  245.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2006  197.7141  245.1977 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.7395  196.7275  244.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1914  199.1246  244.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1365  197.7099  246.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2823  196.2840  245.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
-178.97244948,179.95320946,-179.86859022,-60.86449633,211.60607175,197.22498860
244.69483361,2.99593792,-0.21616316,-1.40126948

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444405/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.41814

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-0.98186

>  <SCORE.INTRA.DIHEDRAL>
-1.69969

>  <SCORE.INTRA.DIHEDRAL.0>
1.70927

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.132013

>  <SCORE.INTRA.VDW.0>
2.71604

>  <SCORE.INTRA.norm>
-0.08926

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.765285

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.050964

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  220.6811  180.1159  244.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3003  180.6559  244.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0167  180.3946  245.8205 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8250  180.8180  246.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0003  181.4213  245.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6178  180.5565  247.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9016  180.8695  248.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0877  181.4275  248.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2689  181.5431  248.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2906  181.1460  250.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1330  180.6417  250.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9651  180.4891  250.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3850  181.4148  248.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2399  182.7695  247.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1974  183.5517  248.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2661  182.9980  249.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3732  181.6605  249.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4241  180.8794  249.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1503  179.0040  247.9207 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.1287  178.6417  246.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3610  178.0540  248.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4454  178.0843  247.0298 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.4890  179.0485  246.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.8294  177.6861  247.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0065  177.1981  245.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  CHG  1  22   1
M  END
>  <CHROM.1>
179.58069258,-1.04370281,41.82181881,4.83225643,-46.05629243,-42.12841968
-57.78837248,31.98928986,218.16232417,180.43269503,247.69162639,0.58782302
0.35957372,-2.01439431

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444406/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.30573

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-8.09427

>  <SCORE.INTRA.DIHEDRAL>
-0.850305

>  <SCORE.INTRA.DIHEDRAL.0>
5.47736

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.56911

>  <SCORE.INTRA.VDW.0>
1.22804

>  <SCORE.INTRA.norm>
-0.337261

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.221072

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012860

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  189.2724  207.3465  261.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5552  206.5136  260.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4754  205.7983  260.2942 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0432  205.1068  259.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8008  205.3433  258.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1027  206.4133  258.4204 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.4819  204.6445  256.5616 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.7347  204.1909  256.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8554  205.4277  256.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3368  205.8867  255.7839 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7391  205.9572  258.0758 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9432  207.0567  258.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0982  207.5557  259.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3496  208.6555  260.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4257  209.2515  259.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2491  208.7449  258.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0050  207.6488  257.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2929  209.3391  257.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5128  209.8230  256.4377 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4154  205.6335  258.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <CHROM.1>
19.82900967,68.57153597,94.04944912,-171.43524073,185.56436126,206.67464657
258.20369973,-0.15656735,-0.43234280,0.91816420

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444407/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.44702

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-0.952977

>  <SCORE.INTRA.DIHEDRAL>
-0.586636

>  <SCORE.INTRA.DIHEDRAL.0>
2.67679

>  <SCORE.INTRA.POLAR>
-0.244653

>  <SCORE.INTRA.POLAR.0>
-0.755347

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.17216

>  <SCORE.INTRA.VDW.0>
-1.82323

>  <SCORE.INTRA.norm>
-0.0501567

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.44458

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  211.5282  211.8663  248.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3388  212.5930  248.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8542  213.2032  247.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5688  213.0949  246.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7310  212.3290  246.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2156  211.7244  247.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0569  213.8733  245.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6550  213.9149  244.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6923  213.3726  243.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8955  214.8202  243.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4577  215.0810  241.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8806  216.0175  241.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7343  216.7031  241.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1449  216.4457  242.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7269  215.4930  243.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9457  217.2460  243.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1759  217.7976  244.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2065  218.6857  244.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7229  219.2570  243.6037 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6325  218.8829  245.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7139  217.9316  246.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7100  217.4998  245.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6846  216.5851  245.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6588  216.0926  247.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6730  216.5118  248.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7039  217.4299  247.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6712  215.1199  247.7058 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.5220  214.7638  246.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6131  214.7083  248.8751 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <CHROM.1>
178.53243306,-3.78340416,173.26425357,-127.78288510,63.15526621,17.38528791
90.32063532,34.17791442,210.26380290,215.49656309,245.50016399,-0.16785084
1.05783338,-2.20763456

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444408/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.58821

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-6.81179

>  <SCORE.INTRA.DIHEDRAL>
-4.18192

>  <SCORE.INTRA.DIHEDRAL.0>
9.09306

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.72083

>  <SCORE.INTRA.VDW.0>
-1.07759

>  <SCORE.INTRA.norm>
-0.234889

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.22718

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001678

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  208.1249  199.7868  259.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4015  198.8804  258.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3019  198.8575  257.1226 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.2461  200.1168  256.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0174  199.8677  255.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1568  198.7215  254.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2253  198.9233  253.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8438  199.8712  252.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7176  199.3489  251.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0664  198.0893  250.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4139  197.1185  251.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5424  197.6308  252.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0444  201.4073  256.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0874  202.3030  257.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9512  203.2730  258.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7567  203.3955  258.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6765  202.5911  258.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8063  201.6351  257.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5234  200.3474  255.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6096  201.5101  254.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7377  201.8187  253.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8111  200.9451  253.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7393  199.7661  254.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6193  199.4807  255.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6004  197.6508  256.3363 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3244  196.4600  256.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8464  196.3023  258.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7515  195.3136  256.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2981  195.4814  254.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4482  194.3711  253.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1076  193.0869  254.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6073  192.9239  255.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4491  194.0256  256.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0133  192.0312  253.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7690  191.3572  253.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0965  191.6005  253.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
77.50840599,-177.44261686,72.26273015,-70.06381234,103.18328201,-173.09298576
-63.80134773,-77.63213156,0.57180016,-3.40929693,106.86262487,207.61633499
198.57593114,255.28990305,-2.36127825,1.56449466,-1.93661539

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444409/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1693

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.482353

>  <SCORE.INTRA>
-5.23072

>  <SCORE.INTRA.DIHEDRAL>
-3.8625

>  <SCORE.INTRA.DIHEDRAL.0>
8.61087

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.29948

>  <SCORE.INTRA.VDW.0>
-1.63613

>  <SCORE.INTRA.norm>
-0.153845

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.328508

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004147

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  199.5106  217.8119  259.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0943  218.3824  258.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8403  217.0746  258.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2660  215.7305  258.4489 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4278  215.5254  257.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9607  214.3389  256.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4018  213.1384  257.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9748  212.0300  257.3595 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3921  213.3060  258.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9397  212.1699  259.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9314  212.3228  260.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3854  213.5866  260.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7666  214.7092  260.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7990  214.5960  259.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4127  213.7430  261.6397 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6101  214.9636  262.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6878  214.6013  263.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6869  213.5589  264.2478 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4261  212.3618  263.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3834  212.6719  261.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4340  211.2049  260.8625 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.0695  214.2831  255.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6220  213.2375  255.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7815  215.4810  255.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5998  213.3025  265.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1832  215.4319  254.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
118.28142897,179.04322821,-158.51099576,-179.98519829,200.12182332,214.16142885
259.52085338,-3.04851031,0.88286836,-3.05115181

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444418/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.07128

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-1.32872

>  <SCORE.INTRA.DIHEDRAL>
-3.47147

>  <SCORE.INTRA.DIHEDRAL.0>
7.70432

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.407014

>  <SCORE.INTRA.VDW.0>
0.467552

>  <SCORE.INTRA.norm>
-0.0553633

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.294637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002649

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  222.7934  180.6764  246.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3150  179.4276  246.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6064  178.3081  245.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1356  177.0215  246.6063 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.1043  176.3898  247.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1372  176.5025  248.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1266  175.6991  246.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4608  176.0546  245.5321 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4661  175.3004  247.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.6032  175.5403  245.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.0751  175.3328  245.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <CHROM.1>
-179.97482359,63.10035554,-100.64584709,-86.49420237,-179.64006607,223.30464929
177.45877065,246.82880950,1.59609937,1.03406098,-0.20857283

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444420/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.4688

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-0.9312

>  <SCORE.INTRA.DIHEDRAL>
0.196442

>  <SCORE.INTRA.DIHEDRAL.0>
1.73797

>  <SCORE.INTRA.POLAR>
-0.198443

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.354716

>  <SCORE.INTRA.VDW.0>
-0.46189

>  <SCORE.INTRA.norm>
-0.1164

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.0586

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.076931

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  201.3563  212.4794  262.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2617  213.4344  262.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1454  212.9850  263.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0919  213.8477  263.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1534  215.1983  263.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2815  215.6462  262.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3229  214.7765  262.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1029  216.0171  263.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6956  216.9869  262.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0804  216.2585  261.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7298  217.2029  260.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1143  216.4466  259.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1043  215.6604  258.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4327  214.4979  259.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7659  214.2999  259.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1374  213.1419  260.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1791  212.1826  260.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8516  212.3721  260.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4805  213.5291  259.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6678  210.6179  261.3372 Br  0  0  0  0  0  0  0  0  0  0  0  0
  198.9955  215.4546  259.0202 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.1057  213.1990  264.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5172  213.8423  265.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
137.99138947,-140.92027759,68.38460100,-174.46899111,-179.83302495,-71.55841950
77.17374435,-120.78469419,197.65437912,213.82060534,261.28973151,-0.64717105
-1.16494996,0.42421223

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444421/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.87274

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-4.52726

>  <SCORE.INTRA.DIHEDRAL>
8.06979

>  <SCORE.INTRA.DIHEDRAL.0>
1.72345

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.56215

>  <SCORE.INTRA.VDW.0>
5.00848

>  <SCORE.INTRA.norm>
-0.196837

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.385771

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  188.5835  207.4754  249.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9194  208.4810  250.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6955  208.2010  251.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5400  209.7758  249.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9482  210.7842  250.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5671  212.1107  249.5522 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.2447  213.3475  250.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8418  214.6453  249.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3281  214.8267  249.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7017  213.6450  248.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0629  212.3562  249.3677 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.9830  211.6107  250.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3568  211.2311  248.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7855  213.2357  250.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8452  213.4803  251.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.54396246,-121.96115588,186.54924211,211.69194962,249.86100310,1.16768211
0.32159719,-3.07788483

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444422/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24088

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.159118

>  <SCORE.INTRA.DIHEDRAL>
-0.171119

>  <SCORE.INTRA.DIHEDRAL.0>
0.266876

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0735588

>  <SCORE.INTRA.VDW.0>
-0.210852

>  <SCORE.INTRA.norm>
-0.0106079

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.482725

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031385

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  212.0240  193.6824  234.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3543  193.5240  234.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7861  193.9444  236.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9105  194.4482  237.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5314  194.5157  236.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1349  194.2027  235.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6625  194.9146  237.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2493  195.3224  239.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5242  195.7319  240.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1661  196.0644  241.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5468  196.0308  241.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2738  195.6435  240.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6535  195.2735  239.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4456  194.8341  238.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2681  194.8259  237.8612 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4007  193.7070  238.2982 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9514  192.2959  238.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3613  192.0359  238.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4432  191.5465  237.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5683  191.5227  238.5304 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1861  191.9958  239.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8654  192.3409  239.6821 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0569  193.8938  239.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6597  193.3363  240.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0639  194.7858  240.0247 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7498  195.7011  237.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3597  192.7522  240.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8413  194.9295  240.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  1  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
92.61575037,-38.86443348,48.20297109,-96.93119846,-126.26382909,-179.02479163
211.04217171,194.00188979,238.56123687,0.78672543,-0.30585112,-2.06600064

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444423/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.94044

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-6.45956

>  <SCORE.INTRA.DIHEDRAL>
-0.0721681

>  <SCORE.INTRA.DIHEDRAL.0>
3.41341

>  <SCORE.INTRA.POLAR>
-0.694154

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.06335

>  <SCORE.INTRA.VDW.0>
-3.37824

>  <SCORE.INTRA.norm>
-0.258382

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.157618

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008189

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  213.4428  187.6293  248.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0797  188.1402  246.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2378  189.4214  246.8680 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0850  190.0172  245.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8553  189.1313  247.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4628  189.6616  248.5175 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1607  189.2304  248.7901 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3092  188.5169  249.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
171.01410135,115.86406197,99.67572573,211.57128829,189.02261257,247.48421985
-0.26990794,-0.44815169,2.14682579

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444424/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31105

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-1.08895

>  <SCORE.INTRA.DIHEDRAL>
-1.63492

>  <SCORE.INTRA.DIHEDRAL.0>
3.059

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.271487

>  <SCORE.INTRA.VDW.0>
0.229508

>  <SCORE.INTRA.norm>
-0.155564

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.901579

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002177

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  208.7423  189.5518  246.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7212  188.4515  247.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3530  188.9609  247.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7433  189.3941  248.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3220  189.4683  249.2922 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3165  189.7457  248.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7351  189.6562  246.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3919  189.2837  245.7640 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6363  188.9423  245.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4472  188.3810  244.3932 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.1562  186.5858  244.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6722  186.2805  244.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2906  189.9300  246.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4777  189.0219  246.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1157  189.2861  245.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5647  190.4526  246.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3650  191.3600  247.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7279  191.0974  247.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8936  190.7871  246.1946 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.6009  190.1798  249.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0073  190.5400  250.4408 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <CHROM.1>
-94.69295429,-130.63479495,87.89168916,66.48469972,203.65546332,189.39885580
246.65932318,-0.16987091,-0.21944874,1.09449084

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444425/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.94274

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-1.45726

>  <SCORE.INTRA.DIHEDRAL>
-2.58664

>  <SCORE.INTRA.DIHEDRAL.0>
9.40185

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.16394

>  <SCORE.INTRA.VDW.0>
-1.69591

>  <SCORE.INTRA.norm>
-0.0693934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.378226

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  207.3346  206.6215  245.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3019  207.7338  245.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8631  207.2200  245.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1951  207.3660  244.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3791  206.5471  246.2104 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0710  205.8659  246.1556 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1714  204.3447  246.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1986  203.5911  246.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0847  202.0739  246.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6448  201.6127  246.9620 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7460  202.1805  245.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9217  203.6686  245.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0513  204.3100  245.1185 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5413  200.0980  247.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9084  199.2977  245.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7816  197.9084  245.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2916  197.3062  247.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9320  198.0813  248.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0564  199.4730  248.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1188  195.5963  247.2080 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.3916  204.0541  247.2086 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5515  205.2624  247.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1662  205.2265  249.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3191  206.3889  249.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8762  207.6094  249.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2584  207.6637  248.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0781  206.4923  247.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0784  206.4130  247.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1020  205.9923  248.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1084  206.3881  249.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0756  207.2286  249.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0848  207.7125  247.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0779  207.3123  246.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9541  207.5860  249.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0202  203.3256  247.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 27  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-104.73861547,-81.61031316,-61.07734506,203.21270227,203.82218122,247.10758085
-1.39461769,-0.31201466,-3.06156694

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444426/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.87719

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.247059

>  <SCORE.INTRA>
-1.52281

>  <SCORE.INTRA.DIHEDRAL>
0.159187

>  <SCORE.INTRA.DIHEDRAL.0>
2.52962

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.6024

>  <SCORE.INTRA.VDW.0>
-1.49622

>  <SCORE.INTRA.norm>
-0.0447885

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.20227

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  193.8929  214.0638  261.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8399  215.5382  261.5781 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0962  216.5327  260.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3863  217.9570  260.7894 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6353  219.4126  259.5125 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.6522  221.1298  260.2931 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5178  221.0923  261.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9936  219.7289  262.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1116  218.2762  262.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5869  217.2715  263.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7822  215.9234  262.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7193  215.2381  263.0682 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8489  221.6576  259.0423 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7827  220.3845  259.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1336  219.3957  260.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2806  220.3566  261.2078 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.1353  221.5535  259.5833 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5072  221.0318  258.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3742  219.6171  258.6231 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3664  218.7919  257.4765 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4310  222.9170  259.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8676  221.2211  262.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8893  222.4556  262.6377 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2014  220.4719  263.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8795  219.9943  263.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9395  219.8068  261.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8719  217.4244  260.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3777  217.8683  257.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7849  219.4461  262.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3037  220.5359  261.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  1  0  0  0
  5 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 28  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <CHROM.1>
98.20598393,-154.10613878,60.61383396,-72.38336651,52.48681572,193.56745949
219.22613325,261.07104258,-0.32958458,1.36187028,-1.54243267

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444427/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.25192

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.274074

>  <SCORE.INTRA>
-3.14808

>  <SCORE.INTRA.DIHEDRAL>
-2.89241

>  <SCORE.INTRA.DIHEDRAL.0>
7.10016

>  <SCORE.INTRA.POLAR>
-0.308739

>  <SCORE.INTRA.POLAR.0>
-0.13044

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.652165

>  <SCORE.INTRA.VDW.0>
1.05483

>  <SCORE.INTRA.norm>
-0.116596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.157478

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  218.8440  194.2529  244.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6964  193.9446  245.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5668  194.1274  246.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6696  194.7985  247.9005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.5304  193.2903  244.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5850  194.4803  243.8286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.6667  195.5832  243.3797 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
-108.82561392,-77.25718053,217.64686575,194.60243128,245.14092503,-2.02558298
0.37697467,1.76823300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444428/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.27115

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.128855

>  <SCORE.INTRA.DIHEDRAL>
0.45953

>  <SCORE.INTRA.DIHEDRAL.0>
0.607306

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.358619

>  <SCORE.INTRA.VDW.0>
-0.64467

>  <SCORE.INTRA.norm>
-0.0184078

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.03874

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.145515

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 64 71  0  0  0  0  0  0  0  0999 V2000
  203.0762  203.5485  246.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2562  203.4239  244.6922 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0301  202.7175  244.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9310  202.7176  242.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9904  201.8515  241.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9235  202.0338  240.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6662  203.0087  239.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5225  203.8596  240.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6872  203.7246  241.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6105  204.6933  242.6528 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3652  204.7601  244.1036 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0922  204.4042  242.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1840  204.8590  239.8717 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0669  201.3614  239.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9133  201.1104  242.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6802  201.7647  242.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5170  201.0718  242.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5898  199.7435  242.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8937  199.1135  242.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7787  199.7170  242.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5340  199.0601  244.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8608  197.7595  244.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8471  197.0251  243.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1673  197.7305  242.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2365  197.3522  241.2833 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1696  197.7738  239.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9656  197.2603  245.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4870  198.9351  242.4749 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5388  201.7447  243.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0510  200.9849  244.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4107  201.6310  245.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5132  202.5316  245.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4811  202.4787  246.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8065  202.7014  247.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1675  202.6059  248.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9841  201.9860  247.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3227  201.7570  247.3546 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1713  202.8897  247.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7067  203.0384  248.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2551  203.6021  244.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1788  203.1205  243.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3684  205.0121  245.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6033  205.7101  245.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8334  205.6308  244.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0545  206.5120  245.3231 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1792  206.6383  246.7680 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0128  207.3317  247.3143 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.7073  206.6100  247.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5817  206.8520  247.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3663  206.3406  247.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2550  205.5325  246.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9486  205.3092  245.8981 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4133  207.6565  248.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3525  207.7542  249.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9620  208.8172  246.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3841  205.9792  244.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1122  199.6251  245.0626 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1056  205.2942  244.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9575  204.8184  238.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5414  200.7216  240.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7232  198.1320  241.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0209  207.1577  247.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.9423  204.8137  245.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1052  199.1990  244.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 58  1  0  0  0  0
 13 59  1  0  0  0  0
 14 60  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 28 61  1  0  0  0  0
 29 41  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 57  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 40  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 51  1  0  0  0  0
 42 43  2  0  0  0  0
 43 48  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 56  1  1  0  0  0
 46 47  1  0  0  0  0
 46 62  1  0  0  0  0
 47 48  1  0  0  0  0
 47 55  1  6  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 49 53  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 63  1  0  0  0  0
 53 54  1  0  0  0  0
 57 64  1  0  0  0  0
M  END
>  <CHROM.1>
96.82462092,-2.26475303,-1.22155824,-128.82326246,170.67051846,-58.03307544
-29.32318645,97.63802590,124.17875467,-43.15782247,-4.65665691,198.36264965
202.84185560,244.53052471,-0.76913568,0.51175818,0.43386502

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444429/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.76517

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2

>  <SCORE.INTRA>
-8.63483

>  <SCORE.INTRA.DIHEDRAL>
3.62035

>  <SCORE.INTRA.DIHEDRAL.0>
14.8987

>  <SCORE.INTRA.POLAR>
-0.813482

>  <SCORE.INTRA.POLAR.0>
-0.186518

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.67916

>  <SCORE.INTRA.VDW.0>
-0.954574

>  <SCORE.INTRA.norm>
-0.151488

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
57

>  <SCORE.norm>
0.0485118

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.074442

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  198.3777  208.4860  245.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8187  208.1235  244.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3520  206.9924  243.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4356  206.0656  243.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8763  204.8599  242.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2466  204.5868  242.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1605  205.5486  242.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7171  206.7435  243.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7798  203.2810  241.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5238  202.0648  242.7231 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7066  200.7458  242.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9602  199.4732  242.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7297  200.1777  241.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2690  202.0912  244.2766 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.0068  200.8470  244.9635 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6369  202.5354  244.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4361  203.3778  245.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0454  203.3929  245.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4599  204.3514  246.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2475  205.2903  246.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6291  205.2786  246.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2253  204.3244  245.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6024  206.4347  247.4963 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.9745  202.3127  244.5275 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
133.16512216,-67.29511876,164.19652667,-149.65618067,-177.70795524,54.77124393
199.13178293,203.97752434,244.34799830,1.63340266,-1.09927430,0.50974573

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444430/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94004

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-5.45996

>  <SCORE.INTRA.DIHEDRAL>
1.11152

>  <SCORE.INTRA.DIHEDRAL.0>
5.28449

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.01572

>  <SCORE.INTRA.VDW.0>
-0.780694

>  <SCORE.INTRA.norm>
-0.227498

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.247502

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  207.4466  198.2423  247.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2045  197.6484  246.5992 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.1589  198.7290  246.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0182  198.1554  245.0492 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.2140  197.2738  244.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9387  196.9487  242.9244 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9452  196.2467  242.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5571  194.8188  241.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7248  193.8226  242.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4218  192.4904  242.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9569  192.1355  241.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7985  193.1122  240.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1027  194.4448  240.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7046  196.9584  244.9847 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.7094  196.5034  247.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4354  195.3325  246.9890 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9976  194.5018  248.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8005  193.9905  248.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-130.33116936,112.09125917,-79.40588549,-99.09080788,205.47861899,195.99435265
244.38640752,-0.82115338,1.45271741,-2.94193236

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444431/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.57235

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-2.82765

>  <SCORE.INTRA.DIHEDRAL>
-4.2408

>  <SCORE.INTRA.DIHEDRAL.0>
5.71796

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.707246

>  <SCORE.INTRA.VDW.0>
-0.77662

>  <SCORE.INTRA.norm>
-0.166332

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.327785

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001067

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  207.4575  199.2564  245.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0350  199.6357  245.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3494  200.4184  244.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8987  200.8148  245.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7700  201.7303  246.3613 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9220  203.1347  246.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7450  203.9568  247.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4078  203.4539  248.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2693  202.1522  248.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4965  201.1744  247.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4835  199.8669  247.7257 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0591  199.1527  248.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3414  199.5936  249.7011 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3716  197.6936  248.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1256  197.1185  247.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3368  195.7301  247.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8066  194.8920  248.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0690  195.4957  249.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8485  196.8780  249.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9576  193.3971  248.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1343  195.1909  246.6838 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.7215  195.3886  245.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1843  194.6078  246.9840 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.0158  201.8343  250.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8419  201.7167  251.3129 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9169  205.4210  247.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7759  206.1668  248.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2336  205.8568  245.7706 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3921  207.2207  245.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7003  207.7195  244.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8822  206.8285  243.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7461  205.4992  243.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3892  204.9330  244.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2457  203.6515  244.9090 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9358  204.5473  242.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 34  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  3  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
179.12355990,62.90683593,84.88903480,19.43179174,3.77551242,204.17247444
200.83546440,246.95166725,-1.60115054,1.11239774,-0.26039090

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444432/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.31845

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297143

>  <SCORE.INTRA>
-5.08155

>  <SCORE.INTRA.DIHEDRAL>
-14.3171

>  <SCORE.INTRA.DIHEDRAL.0>
20.4531

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.07701

>  <SCORE.INTRA.VDW.0>
-1.49641

>  <SCORE.INTRA.norm>
-0.145187

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.151956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  215.7642  199.3941  252.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1294  197.9527  252.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5325  197.4908  250.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8670  196.1401  250.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8191  195.2109  251.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4874  195.7329  252.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1287  197.0616  253.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1536  193.6961  251.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2695  193.0565  250.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6676  193.4562  251.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9199  192.8882  252.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2966  195.7437  249.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4656  196.1504  248.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9472  195.6105  246.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9442  194.1534  246.8225 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0989  193.6502  246.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1989  193.2112  247.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6608  194.3238  247.8951 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0980  193.8371  246.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.4177  193.9677  248.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.9146  194.5661  248.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
-50.75869842,-55.37612209,-176.55082256,61.54098622,-142.22168561,99.14029578
-60.47578952,-177.16754876,217.16589709,195.22093240,250.02841361,2.59053362
-1.21351480,2.04278951

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444433/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.47195

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.744444

>  <SCORE.INTRA>
-3.92805

>  <SCORE.INTRA.DIHEDRAL>
5.50932

>  <SCORE.INTRA.DIHEDRAL.0>
1.57927

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.28271

>  <SCORE.INTRA.VDW.0>
2.61718

>  <SCORE.INTRA.norm>
-0.218225

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.52622

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000518

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  193.1412  214.1597  256.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6242  215.4384  255.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4789  216.5389  255.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8513  216.3463  256.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3763  215.0710  256.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5136  213.9752  256.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9246  217.7547  256.0378 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.4261  218.6990  255.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1680  218.1164  257.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3043  217.1992  255.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1027  216.8718  254.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-36.91953900,59.82068964,195.10104358,216.59946499,256.02165656,-2.26513957
-0.10093253,-0.12385644

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444442/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78372

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.616283

>  <SCORE.INTRA.DIHEDRAL>
-1.11543

>  <SCORE.INTRA.DIHEDRAL.0>
2.26304

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0585691

>  <SCORE.INTRA.VDW.0>
-0.692395

>  <SCORE.INTRA.norm>
-0.0616283

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.578372

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022817

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  201.6719  197.2438  248.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6576  196.0534  247.6435 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4151  196.0742  246.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5522  197.1659  245.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3542  197.0999  244.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0432  195.9159  244.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8855  194.8182  245.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0854  194.8949  246.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8714  195.6242  243.1375 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7166  196.6517  242.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5797  197.2181  243.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2199  196.3731  244.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9133  196.9056  245.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9816  198.2911  245.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3762  199.1331  244.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6879  198.6034  243.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6403  198.9042  247.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7157  199.0199  248.2100 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1214  197.8682  248.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7918  197.6742  248.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0715  196.5218  248.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6635  195.5335  249.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9748  195.6985  249.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7080  196.8474  249.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3445  196.8128  250.0015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.9747  198.8567  247.2634 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.3718  198.5759  243.5973 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-38.69841027,35.52264056,55.72118513,43.98627468,-86.94299920,58.94390709
-102.49108433,205.56193372,197.21458963,246.49977900,2.39658738,-0.25326835
-1.38749506

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444443/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.07578

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-5.32422

>  <SCORE.INTRA.DIHEDRAL>
6.23864

>  <SCORE.INTRA.DIHEDRAL.0>
3.26345

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.44354

>  <SCORE.INTRA.VDW.0>
2.65739

>  <SCORE.INTRA.norm>
-0.197193

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.262066

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003518

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  212.1013  183.7159  245.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7584  184.3946  244.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2847  183.8350  242.9237 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.4520  182.3148  242.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7728  181.6077  244.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1852  182.1883  245.3913 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.3949  181.4963  246.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2487  181.7712  246.8189 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0662  180.4863  247.1745 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4199  180.1144  246.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6040  179.4778  245.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5199  180.0082  244.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6643  179.4592  243.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8838  178.3762  242.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9514  177.8527  243.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8069  178.4063  245.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8924  177.9063  245.9693 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.1843  176.8167  243.4969 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.0266  177.8417  241.7605 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.5542  179.9789  242.5009 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.2606  181.0718  244.9678 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.6118  184.3934  242.5213 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.6524  183.8309  243.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6623  185.8027  242.2328 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3706  183.6350  241.0648 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4644  179.8665  247.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7597  184.0677  240.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.9535  182.7120  241.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-67.14625747,48.70712179,-68.35880608,125.03197034,-81.45698729,212.44377331
181.18066568,244.09661086,2.47986930,1.03461953,-1.04018941

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444444/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.0209

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-2.3791

>  <SCORE.INTRA.DIHEDRAL>
0.0500608

>  <SCORE.INTRA.DIHEDRAL.0>
5.86766

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.40413

>  <SCORE.INTRA.VDW.0>
-2.5765

>  <SCORE.INTRA.norm>
-0.0951638

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.320836

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000707

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  187.9847  211.7186  254.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3381  210.2383  254.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6411  209.9484  255.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1257  208.4720  255.4541 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5666  208.0914  254.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2536  208.1175  256.5249 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5234  208.9196  256.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5541  210.1132  256.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7069  208.2862  256.5158 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9090  206.9602  256.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0586  206.5546  256.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7947  206.1528  256.6841 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4942  206.6042  256.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5484  205.8148  256.4063 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9854  204.7175  256.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7398  208.4426  257.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7128  208.1334  259.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1133  208.4824  260.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5377  208.8583  256.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.67688475,68.12275467,-62.53312851,179.13190269,-179.84604154,191.50992623
208.10247483,256.52578382,2.93221450,0.77087089,-1.77169012

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444445/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0968

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-0.30315

>  <SCORE.INTRA.DIHEDRAL>
0.347068

>  <SCORE.INTRA.DIHEDRAL.0>
0.245745

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.476684

>  <SCORE.INTRA.VDW.0>
0.20378

>  <SCORE.INTRA.norm>
-0.0168417

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.560936

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004719

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  187.0421  211.1348  247.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8592  212.0604  247.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3127  213.3872  248.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1328  214.3246  248.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6048  215.6327  249.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4706  216.5133  249.6754 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8305  217.7291  250.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2083  218.1933  251.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5199  219.4310  251.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5451  220.2166  251.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1588  219.7740  250.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7918  218.5450  249.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9681  221.4818  252.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8715  222.3730  251.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4876  222.1917  250.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9486  222.0564  249.2184 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2382  223.5119  252.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1885  223.6045  253.6963 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5957  224.8695  254.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6905  225.4173  255.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2351  226.6833  255.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6449  227.4156  254.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4855  226.9183  253.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9471  225.6131  252.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5913  224.7552  251.8390 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2825  225.0611  250.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2961  221.7578  253.2444 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6720  222.5537  253.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  3  0  0  0  0
 17 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.85127018,-179.76971815,-179.93707337,-179.94636132,-127.75011521,-174.14236751
175.59744681,25.35725598,186.52663203,220.62524812,251.31126641,-1.84021106
0.88993147,0.59747990

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444447/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.707934

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-11.6921

>  <SCORE.INTRA.DIHEDRAL>
-19.7491

>  <SCORE.INTRA.DIHEDRAL.0>
25.9611

>  <SCORE.INTRA.POLAR>
-0.851299

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.0769

>  <SCORE.INTRA.VDW.0>
0.940874

>  <SCORE.INTRA.norm>
-0.433039

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0262198

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  183.5933  211.9057  267.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0830  211.8611  267.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5682  210.6655  266.5632 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.9110  209.4328  267.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7767  208.4433  267.7020 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.5452  208.5550  266.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3730  209.8850  266.0531 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.6898  210.9773  266.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6614  210.2879  265.4724 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.4885  211.3330  264.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7472  211.5932  263.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4145  212.7900  263.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5610  212.6483  262.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7387  211.3486  262.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5413  210.3045  262.8508 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.3320  207.0830  267.6060 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2771  206.3170  266.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4655  205.4173  266.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2885  206.6522  265.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1346  206.0983  264.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0732  206.3570  263.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1760  207.1669  263.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3417  207.7209  264.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4052  207.4624  265.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0706  206.8619  268.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  6  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-94.39785041,66.75296970,-124.26015349,-101.01492476,-168.14676861,185.68285455
209.31157330,265.24387460,1.37284511,0.88586100,-0.29376704

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444448/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.42079

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-2.97921

>  <SCORE.INTRA.DIHEDRAL>
-3.38502

>  <SCORE.INTRA.DIHEDRAL.0>
5.6536

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.2867

>  <SCORE.INTRA.VDW.0>
-1.97535

>  <SCORE.INTRA.norm>
-0.124134

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.3092

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001565

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  194.0344  207.4245  248.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5028  207.4254  249.8828 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6964  206.1862  250.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4941  205.1302  249.8146 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1657  206.2555  251.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4528  205.2311  252.5611 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8693  205.7871  253.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8370  207.1760  253.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3938  207.4408  252.4237 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1943  208.7353  251.9378 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1996  208.0060  254.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6184  207.3599  255.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6705  205.9597  256.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2943  205.1623  254.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0089  208.1750  257.0937 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.9488  209.4076  256.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3748  207.5822  258.1182 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.8799  208.5623  251.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
>  <CHROM.1>
-0.35112482,-179.83182579,-1.28704137,195.73400777,207.02987051,253.40306837
2.96016567,1.23430628,-3.10734819

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444449/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.4643

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-2.9357

>  <SCORE.INTRA.DIHEDRAL>
-0.413893

>  <SCORE.INTRA.DIHEDRAL.0>
0.416224

>  <SCORE.INTRA.POLAR>
-0.937683

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.459364

>  <SCORE.INTRA.VDW.0>
1.31023

>  <SCORE.INTRA.norm>
-0.172689

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.262606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009096

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  213.7218  193.9551  236.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2769  194.0411  238.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8947  195.2674  238.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4095  195.2589  240.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4050  194.0907  240.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8411  192.8961  240.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2636  192.8700  239.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8392  196.7177  240.9395 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.7966  196.4320  238.0817 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4631  197.1556  238.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8411  196.7827  238.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-115.22585364,212.68030162,194.97923679,239.50272784,-0.19782670,1.20363306
-0.59786653

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444458/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.44392

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.956084

>  <SCORE.INTRA.DIHEDRAL>
-0.153089

>  <SCORE.INTRA.DIHEDRAL.0>
0.598665

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.879539

>  <SCORE.INTRA.VDW.0>
0.255034

>  <SCORE.INTRA.norm>
-0.106232

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.60488

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000060

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  223.6017  190.6775  243.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3466  191.0138  243.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2216  190.0357  243.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9591  190.3686  244.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8394  189.3862  244.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5789  189.7146  244.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4510  188.7446  244.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1960  189.0586  245.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6565  188.2909  246.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
179.98802427,179.90697147,179.85961364,179.75296119,179.90947419,-119.28442438
218.87352580,189.69000316,244.40273776,0.01467538,-0.36083855,-2.30359920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444460/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8201

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
-0.579853

>  <SCORE.INTRA.DIHEDRAL>
0.00104235

>  <SCORE.INTRA.DIHEDRAL.0>
1.09605

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.580374

>  <SCORE.INTRA.VDW.0>
-0.230375

>  <SCORE.INTRA.norm>
-0.0644281

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.20224

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.050868

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  189.5013  208.4368  256.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2696  209.1885  257.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3986  208.7455  258.1861 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0493  210.3367  257.6457 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0118  211.1998  258.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8266  212.3437  258.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7702  213.2137  259.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8818  212.9767  261.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1006  211.8190  260.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1662  210.9526  259.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8135  213.9419  262.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9987  213.8039  263.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8288  214.8016  264.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9066  214.5479  265.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6540  215.5059  266.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3163  216.7313  266.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2314  216.9981  265.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4818  216.0409  264.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9189  210.7293  256.6168 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  1  19  -1
M  END
>  <CHROM.1>
-178.57795754,-179.66524744,177.74390507,189.38344799,212.64951912,261.05080562
1.41064162,-0.76649888,-2.33695132

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444461/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.47844

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-2.92156

>  <SCORE.INTRA.DIHEDRAL>
-6.39998

>  <SCORE.INTRA.DIHEDRAL.0>
6.43321

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.278431

>  <SCORE.INTRA.VDW.0>
-0.215548

>  <SCORE.INTRA.norm>
-0.153766

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.288339

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  205.6555  223.4436  254.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8588  222.1607  254.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5433  221.5515  255.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7409  220.2642  255.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4306  219.6682  256.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6346  218.3795  256.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3219  217.7890  258.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5163  216.5074  257.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1989  215.9165  259.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3890  214.6375  259.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0667  214.0376  260.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2535  212.7605  260.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9376  212.1711  261.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6862  211.9946  262.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3715  211.4121  263.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5928  212.4061  264.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9470  213.2306  264.9339 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <CHROM.1>
179.89002074,-179.88993094,-179.75361577,-179.80296587,179.52628268,-179.85223718
179.79994498,179.97213321,179.87020739,179.97192560,119.21637735,119.43482488
201.03018794,216.47364557,258.97762098,0.54644343,0.94121121,0.22241931

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444462/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.3747

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02353

>  <SCORE.INTRA>
-0.0253315

>  <SCORE.INTRA.DIHEDRAL>
-0.0102353

>  <SCORE.INTRA.DIHEDRAL.0>
0.0139433

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0202139

>  <SCORE.INTRA.VDW.0>
-1.74751

>  <SCORE.INTRA.norm>
-0.00149009

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
1.02204

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011449

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  190.4737  214.7112  253.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6428  213.7505  252.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3403  213.6199  253.0165 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9314  212.5772  252.2401 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9405  212.1505  251.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0501  212.8995  251.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7063  211.2554  250.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7005  210.8904  249.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8490  211.3143  249.6224 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2922  209.9373  248.6490 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9374  209.4198  248.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2688  209.3888  247.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6125  212.0611  252.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1777  210.9703  251.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8735  210.4903  251.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9978  211.1039  252.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4300  212.1786  253.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7415  212.6445  253.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-178.60610831,178.01480942,0.95673258,188.07426940,211.71317441,251.28058123
-2.35086197,-0.31490710,-2.30782774

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444463/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.73943

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-2.66057

>  <SCORE.INTRA.DIHEDRAL>
-6.75207

>  <SCORE.INTRA.DIHEDRAL.0>
6.80319

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.715467

>  <SCORE.INTRA.VDW.0>
-0.849678

>  <SCORE.INTRA.norm>
-0.147809

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.318857

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016501

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  203.1410  212.6241  257.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3688  214.1233  257.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3812  215.0005  257.2289 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8812  216.1569  257.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9758  216.6794  257.0391 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8840  215.9197  255.9057 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7372  214.9318  256.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0345  213.7672  254.7643 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.3658  213.2028  254.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7534  212.4515  255.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0944  211.3061  255.7890 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7800  213.1684  256.1890 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0143  213.8890  257.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8283  213.3760  258.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0606  214.1241  259.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4609  215.3777  259.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6452  215.8941  258.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4450  215.1613  257.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4190  215.8361  256.3331 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.6835  216.3328  261.1590 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.1198  213.4488  260.7599 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.2676  216.7456  259.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2197  216.1094  259.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6107  216.6398  261.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1122  217.8621  261.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2050  218.5426  260.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7793  217.9935  259.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6206  218.9298  258.7265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.8219  212.8665  256.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
127.55217466,-2.63090364,131.87578887,-66.24606767,-75.67027839,-98.06935881
-40.85808846,200.74873893,215.27224295,258.15310434,-1.83739806,-0.50379771
0.76877596

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444465/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.43533

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-10.9647

>  <SCORE.INTRA.DIHEDRAL>
-2.60409

>  <SCORE.INTRA.DIHEDRAL.0>
9.75919

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.66262

>  <SCORE.INTRA.VDW.0>
-1.23177

>  <SCORE.INTRA.norm>
-0.391595

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0512618

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  176.6482  230.1915  252.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.3209  229.2051  252.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2664  228.3000  252.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9464  227.3093  253.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8873  226.4100  252.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5627  225.4186  253.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5025  224.5232  252.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1720  223.5335  253.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1145  222.6422  252.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7871  221.6523  253.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7340  220.7662  252.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4022  219.7752  253.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3514  218.8888  252.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0157  217.8939  253.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9710  217.0133  253.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6330  216.0165  253.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5882  215.1355  253.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2530  214.1370  254.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2082  213.2580  253.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8749  212.2541  254.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8362  211.3746  253.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4950  210.3705  254.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4277  209.4539  253.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0857  208.4469  254.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9439  207.6000  253.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3430  206.9672  254.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.88796360,179.96911733,-179.87026206,-179.98051966,-179.84602339,-179.77297768
179.90533383,-179.72293027,-179.81471698,-179.93265328,-179.78979427,-179.66689782
-179.88118957,179.98713529,179.95807105,-179.94020125,-179.88226763,-179.82635629
-179.78490445,178.19248225,-179.86187730,179.70934028,-179.71712733,186.33608928
218.79854386,253.32403031,-2.90288593,-0.83833883,1.80736178

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444466/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
27.0928

>  <SCORE.INTER>
27.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
22

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.096

>  <SCORE.INTRA>
-0.307173

>  <SCORE.INTRA.DIHEDRAL>
0.0160181

>  <SCORE.INTRA.DIHEDRAL.0>
0.000549134

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.315182

>  <SCORE.INTRA.VDW.0>
-2.89179

>  <SCORE.INTRA.norm>
-0.0122869

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
1.08371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018640

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 34  0  0  0  0  0  0  0  0999 V2000
  205.7884  206.1408  254.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5942  206.1183  253.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5382  206.6754  253.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8136  205.4262  252.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4033  204.0099  251.9471 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1346  203.6703  250.4721 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.4468  203.6333  249.6732 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.4386  202.6602  250.3167 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6223  202.9496  251.7126 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4384  203.0017  252.5213 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.8275  201.7152  252.6491 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8048  201.6958  253.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2880  200.2535  253.8392 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4071  199.3266  254.3546 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.9303  197.9039  254.7351 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.1026  197.0080  255.1775 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6139  195.6536  255.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9629  194.5810  255.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9759  196.7840  254.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9344  197.8684  255.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4504  199.2220  253.3753 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1798  200.2404  254.7334 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0831  201.1930  249.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6912  200.2818  250.8931 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2336  203.2980  248.3007 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2325  204.6064  249.8684 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5438  205.7851  251.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2646  197.6763  253.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2379  198.5131  255.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0453  198.9611  252.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4722  200.7544  254.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2664  200.3849  251.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0961  203.3161  247.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3924  204.5602  250.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 27  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  6  0  0  0
  7  8  1  0  0  0  0
  7 25  1  6  0  0  0
  8  9  1  0  0  0  0
  8 23  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  6  0  0  0
 15 16  1  0  0  0  0
 15 20  1  1  0  0  0
 16 17  1  6  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
M  END
>  <CHROM.1>
96.16293114,153.52046877,-60.71434763,178.39989374,-161.01888819,-67.70794988
-174.48658071,63.52524068,172.55990724,63.62873996,177.27613409,-52.93511886
174.67699488,49.10500441,121.68139711,58.36409002,69.67342684,204.76013948
201.34764595,252.75208815,1.49331241,1.07463879,-0.36220851

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444468/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.12754

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.592308

>  <SCORE.INTRA>
-14.2725

>  <SCORE.INTRA.DIHEDRAL>
-9.3086

>  <SCORE.INTRA.DIHEDRAL.0>
14.8408

>  <SCORE.INTRA.POLAR>
-2.57486

>  <SCORE.INTRA.POLAR.0>
-0.235876

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.863619

>  <SCORE.INTRA.VDW.0>
-1.72377

>  <SCORE.INTRA.norm>
-0.548941

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.043367

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000412

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  210.9234  193.1891  250.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8340  192.9964  248.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0673  193.8640  247.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3770  194.9311  248.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5061  195.1415  249.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2650  194.2663  250.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5423  195.8088  247.7848 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9680  195.5495  246.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1168  194.5215  245.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1148  196.6830  245.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5084  196.7339  246.8188 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.9150  197.4715  248.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0132  197.7321  249.2622 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6664  198.3575  250.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9277  198.4540  249.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1712  197.8890  248.7089 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0492  199.1078  250.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2792  198.3608  250.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9877  198.4204  249.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5820  199.0609  248.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2294  197.6733  249.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1068  197.3753  248.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1389  196.5857  248.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8369  196.4548  250.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6859  197.1131  250.4959 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1915  196.6153  248.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.7295  197.9275  251.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
20.42768266,-76.95250935,77.01767459,178.49092811,142.46617598,76.31265461
171.45376776,208.86338113,196.59310906,248.74670204,0.11381073,0.37534787
-2.58572744

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444469/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.44504

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-7.95496

>  <SCORE.INTRA.DIHEDRAL>
0.158868

>  <SCORE.INTRA.DIHEDRAL.0>
5.47455

>  <SCORE.INTRA.POLAR>
-1.00773

>  <SCORE.INTRA.POLAR.0>
-0.0541002

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.60811

>  <SCORE.INTRA.VDW.0>
-1.87197

>  <SCORE.INTRA.norm>
-0.318199

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.177801

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 51 55  0  0  0  0  0  0  0  0999 V2000
  217.2135  195.2285  256.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6509  194.7143  257.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0060  194.5415  258.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0841  193.5463  256.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1063  193.6151  254.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8143  194.6265  253.8690 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4437  192.4036  253.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6233  191.7976  252.5531 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.4815  191.8623  251.5008 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.0867  191.5867  250.0701 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.6539  190.1541  250.0677 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.7004  190.0226  251.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3535  190.4280  252.4192 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.7415  189.3135  253.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8242  189.1817  254.4805 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.7027  190.0243  255.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4886  189.3234  254.4184 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.2627  187.9401  255.0979 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.7757  187.6243  254.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4527  186.8967  253.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7913  185.4542  253.9831 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.6328  184.3876  252.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7442  183.0953  253.7654 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.2009  182.7700  253.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0223  184.0441  254.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3767  185.3787  254.6224 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.3912  186.8112  254.3978 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.5601  187.8168  255.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7409  185.9017  254.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1582  183.5112  255.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2799  182.9655  256.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6342  184.8731  254.9215 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.3489  184.6611  254.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6043  190.4414  253.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5305  191.5716  254.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0458  190.0642  252.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2480  189.7506  248.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4636  190.4823  248.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2206  192.4156  249.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1341  194.0410  249.7421 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.0769  194.4579  251.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3148  194.4208  248.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8834  194.2654  249.0245 O   0  5  0  0  0  0  0  0  0  0  0  0
  217.8283  193.1182  251.5577 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3936  193.2808  250.7901 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.6281  192.6872  249.4658 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4425  192.5295  251.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1534  194.7192  250.7185 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.7712  184.3401  255.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5474  190.7838  252.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.2156  191.4117  248.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  6  0  0  0
 10 11  1  0  0  0  0
 10 39  1  1  0  0  0
 11 12  1  0  0  0  0
 11 37  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  6  0  0  0
 15 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  1  0  0  0
 18 27  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 26  1  0  0  0  0
 21 32  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  6  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  6  0  0  0
 33 49  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 50  1  0  0  0  0
 37 38  1  0  0  0  0
 38 51  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  2  0  0  0  0
 40 43  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
M  CHG  2  43  -1  48  -1
M  END
>  <CHROM.1>
61.29067595,2.09447570,179.02593858,-55.17179591,-166.16581198,-61.08764860
70.36610414,-75.32737344,84.01866574,-28.83528481,-177.99518738,-172.54734055
-51.44565640,76.05138476,-46.99461627,218.01975837,190.21175930,252.86407914
0.63169989,1.20179161,0.55633003

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444470/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30172

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3625

>  <SCORE.INTRA>
-11.0983

>  <SCORE.INTRA.DIHEDRAL>
-12.0361

>  <SCORE.INTRA.DIHEDRAL.0>
22.9103

>  <SCORE.INTRA.POLAR>
-1.39216

>  <SCORE.INTRA.POLAR.0>
-0.560466

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.34688

>  <SCORE.INTRA.VDW.0>
-8.70444

>  <SCORE.INTRA.norm>
-0.231214

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
0.131286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001636

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  187.8970  217.2320  263.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4840  218.4039  263.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8764  218.8602  261.7062 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.3074  219.0983  261.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2628  217.9234  260.7842 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0329  220.3777  261.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1402  221.1104  260.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <CHROM.1>
-68.56463200,176.33606820,187.76594046,218.95634902,261.83968323,1.30762607
-0.95770997,2.20054282

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444471/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.04626

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.353739

>  <SCORE.INTRA.DIHEDRAL>
4.44089e-16

>  <SCORE.INTRA.DIHEDRAL.0>
2.4

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.353739

>  <SCORE.INTRA.VDW.0>
-0.203681

>  <SCORE.INTRA.norm>
-0.0505342

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.00661

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011832

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  191.4515  224.9107  241.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8956  225.8730  242.8976 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8575  226.2776  244.0107 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.1325  227.4827  244.5932 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5137  228.1222  243.3191 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.5676  227.1287  242.2755 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3452  229.3938  242.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9051  230.5340  242.9726 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6207  229.1340  242.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1380  228.3811  243.5821 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1362  227.0591  245.5387 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1120  226.7335  243.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4897  225.5341  241.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8733  228.1816  242.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7690  228.7443  242.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6987  227.8588  245.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6786  226.9568  244.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1213  225.8878  241.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  6  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <CHROM.1>
-66.23534079,52.53062028,-178.90597325,179.64311279,-113.07814570,-177.59851074
-1.25020119,191.26187249,227.44220604,243.15057954,1.02143310,-0.83820213
3.07166596

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444472/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.58207

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-3.81793

>  <SCORE.INTRA.DIHEDRAL>
-3.2139

>  <SCORE.INTRA.DIHEDRAL.0>
4.74433

>  <SCORE.INTRA.POLAR>
-0.354029

>  <SCORE.INTRA.POLAR.0>
-1.43358

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.00729

>  <SCORE.INTRA.VDW.0>
-0.43381

>  <SCORE.INTRA.norm>
-0.293687

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.275544

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  218.9732  191.0894  240.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2120  189.8001  240.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2815  189.5135  239.9673 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6925  189.0430  241.7655 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2204  187.7792  242.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7817  187.2330  243.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3070  186.0225  243.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2845  185.3210  243.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7499  185.8399  242.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2227  187.0635  241.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7473  184.1075  243.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2806  183.7794  244.9202 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7286  183.4191  243.2290 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0527  182.2681  243.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3795  181.4897  242.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7098  180.3153  243.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6706  179.9191  244.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2892  180.7048  245.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0105  181.8619  245.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4085  182.6953  246.1534 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.3696  189.4870  242.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5822  183.6260  242.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.7864  183.5083  246.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.3644  183.0196  246.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
-175.18575330,-2.89934034,-160.06084696,64.44800170,216.58015406,185.04148576
243.07861191,0.94196991,-0.83043641,-0.88262796

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444473/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.9704

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-3.4296

>  <SCORE.INTRA.DIHEDRAL>
-3.41241

>  <SCORE.INTRA.DIHEDRAL.0>
4.9002

>  <SCORE.INTRA.POLAR>
-0.477631

>  <SCORE.INTRA.POLAR.0>
-0.140905

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.099454

>  <SCORE.INTRA.VDW.0>
0.0616707

>  <SCORE.INTRA.norm>
-0.17148

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.29852

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000058

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  185.4745  209.3771  263.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6426  209.9457  262.4470 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.0042  210.0264  261.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9285  209.4085  260.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0443  209.5561  259.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1456  210.2469  259.6058 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1201  210.7936  260.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0908  210.7199  261.6698 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2152  211.4978  261.2674 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0412  208.7829  257.6034 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.8169  207.1599  257.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0259  206.4366  258.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1144  205.6551  258.6675 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3427  206.6762  260.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4926  207.4173  260.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8369  207.6638  262.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0412  207.1548  263.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9057  206.4014  262.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5545  206.1651  261.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4009  207.4146  264.7363 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.2519  208.6067  262.3426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  184.7794  208.6569  259.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8737  208.0336  259.2642 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2742  211.5440  262.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0519  211.2164  260.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <CHROM.1>
128.44111123,-92.85573487,-156.52653448,56.09955712,94.20169702,-9.08674477
187.23062214,208.48204540,261.08479142,1.12212957,-0.49525208,1.31265889

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444474/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.39528

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-7.00472

>  <SCORE.INTRA.DIHEDRAL>
-1.66291

>  <SCORE.INTRA.DIHEDRAL.0>
7.72511

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.17327

>  <SCORE.INTRA.VDW.0>
-0.215449

>  <SCORE.INTRA.norm>
-0.304553

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.191099

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000104

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  192.0104  211.9402  263.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5233  211.9313  264.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7559  210.6631  263.6760 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.3529  209.4725  264.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4117  209.3663  265.6073 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8733  208.4923  263.6004 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9043  208.5734  262.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4406  209.5359  261.5510 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8353  210.6027  262.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3799  211.5275  261.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6732  207.2157  261.4991 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.2663  210.7743  264.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4133  209.5357  263.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9323  208.8035  264.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0314  209.1901  262.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3033  207.7167  264.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5345  207.6157  260.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
62.66735145,-172.33201614,-179.79305991,111.58501843,189.89517189,209.63336972
263.15093702,-0.73361039,0.29748538,0.47177329

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444475/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.51074

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-0.889263

>  <SCORE.INTRA.DIHEDRAL>
-2.07622

>  <SCORE.INTRA.DIHEDRAL.0>
2.45726

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.148846

>  <SCORE.INTRA.VDW.0>
-1.57653

>  <SCORE.INTRA.norm>
-0.0592842

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.567382

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002543

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  197.2159  203.2077  244.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7014  201.8161  243.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2830  201.2195  242.5838 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7968  200.8966  242.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3540  200.3064  241.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8176  199.0070  241.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3456  198.8227  239.9816 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1257  199.9391  239.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4411  200.8752  240.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0296  202.0557  239.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3227  202.2770  237.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0443  201.3335  237.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4587  200.1501  237.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0839  203.1983  240.1893 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.4851  200.0136  242.2765 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.7282  199.5672  241.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4556  199.2848  242.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4542  200.2032  242.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7808  197.9705  239.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CHROM.1>
66.77259585,179.78569254,175.12039584,-112.13382224,198.69201506,201.20875411
240.70442157,2.75432374,-0.99022772,2.43796133

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444477/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.71613

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-1.68387

>  <SCORE.INTRA.DIHEDRAL>
-2.50673

>  <SCORE.INTRA.DIHEDRAL.0>
2.91201

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.430508

>  <SCORE.INTRA.VDW.0>
-1.09733

>  <SCORE.INTRA.norm>
-0.112258

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.447742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
101102  0  0  0  0  0  0  0  0999 V2000
  217.5738  215.9137  246.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3668  214.6700  247.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9159  214.4654  247.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8120  213.1404  248.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4190  212.8877  249.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8619  214.0192  250.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4113  213.7594  250.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0345  212.6929  251.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3284  211.3232  250.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2461  210.4392  251.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5218  209.1063  250.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9707  208.9278  250.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1230  207.6079  249.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5189  207.3556  248.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6666  206.0023  248.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1014  205.6864  247.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3024  204.3321  247.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4769  204.1084  245.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7865  203.1047  245.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5811  205.0862  244.8702 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8784  205.0497  243.5820 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4117  204.5832  243.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8477  204.2614  242.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5435  203.4767  242.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8566  202.1370  242.9843 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.1281  201.9138  244.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9506  201.5903  244.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9941  202.0278  245.4011 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6697  201.8679  246.8047 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3042  200.6543  247.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2025  203.1516  247.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2526  203.2193  248.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4774  204.2582  247.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4543  201.0186  242.1675 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0624  199.8026  242.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5507  198.8945  243.0697 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3045  199.6367  241.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3071  198.4411  240.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1724  198.5522  239.6985 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3088  199.8572  238.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1240  200.0014  237.9889 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3579  200.8171  239.0956 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0599  197.3913  238.8103 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1183  196.3982  238.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1398  196.3799  239.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3377  195.2511  237.8048 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.1513  193.8621  238.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3687  195.5004  236.7435 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0940  196.7499  236.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6470  197.7664  236.6674 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1107  196.7688  235.0756 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.9450  196.2807  233.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9247  195.9594  235.1854 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9142  196.5168  236.0555 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4835  195.9526  235.8849 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.5514  194.4560  236.1971 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.9647  194.2694  237.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2522  194.8568  237.8378 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.3232  196.3942  237.5287 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.4725  197.1710  238.3783 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4681  198.6234  238.3739 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.8136  199.3953  238.2977 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.2321  199.5859  236.8417 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1537  200.3368  236.0425 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.7473  199.8185  236.2926 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4372  199.2433  237.5835 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5568  200.7343  235.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3322  200.1710  236.4402 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2813  201.7387  236.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4818  200.2724  236.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8843  198.8468  239.1233 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9110  199.1082  240.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3978  200.1325  240.9445 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3056  198.0432  241.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6281  194.5181  239.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6956  195.0675  240.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2717  193.8498  236.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7139  196.2601  234.6642 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9838  195.8515  233.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8240  195.0129  233.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0908  196.4863  232.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9636  206.4800  242.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4769  206.7158  241.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4380  207.4977  243.7291 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2792  205.8209  244.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.9744  202.2201  245.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8316  205.0763  247.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4513  201.0120  241.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0193  201.0425  240.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7547  201.0080  238.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.9002  197.2638  238.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8690  194.7106  236.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.2149  199.3270  235.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0823  201.9320  237.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1717  199.5774  236.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.7480  198.5951  238.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5661  196.0022  239.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4009  192.9017  236.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0635  197.0313  234.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1255  207.3881  244.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5825  208.4409  243.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
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 48 92  1  0  0  0  0
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 51 52  1  6  0  0  0
 51 53  1  0  0  0  0
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 55 56  1  0  0  0  0
 55 78  1  6  0  0  0
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 58 75  1  1  0  0  0
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 84100  1  0  0  0  0
 84101  1  0  0  0  0
M  END
>  <CHROM.1>
176.91718784,176.57166995,-56.36678983,176.03093591,72.41986658,-66.40297383
114.85024607,120.47855584,-174.70731023,177.50651010,176.59378967,-173.49329511
178.80121455,59.06147229,-128.66684695,42.70109048,-166.95609108,121.44270091
165.71637973,-62.99871546,114.47550904,78.16817250,159.29953678,112.96229124
-101.62150692,-178.31525752,100.77817585,-120.23314752,60.00312769,58.28488986
76.17619617,107.04462602,42.55592149,134.12868108,40.70084636,-75.03195101
75.85599317,161.76164523,66.63963750,176.63396251,-62.02583367,-68.71429468
-41.98671180,-79.25641002,88.83252745,-65.57523391,-170.58200730,-63.96723947
-84.00607980,-47.65669239,212.45778552,201.63173402,241.60466694,1.16205500
-0.62063676,0.49072932

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444478/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.9878

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
44

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
84

>  <SCORE.norm>
0.178426

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013856

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  205.1034  215.6114  246.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5087  215.0209  248.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5835  214.3268  248.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2404  214.2126  248.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8469  214.8048  247.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7763  215.5015  246.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3176  213.4574  249.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7690  212.9729  250.3393 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9858  213.3520  248.9210 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1145  212.6523  249.7152 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8915  212.6124  249.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8950  211.9284  250.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1041  211.2732  251.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9124  210.7013  251.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9376  210.9797  250.7535 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5087  211.7538  249.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7026  212.2943  248.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2640  213.1305  247.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.5448  212.5036  247.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3292  212.0009  248.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3845  213.7743  245.6359 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.6353  209.8929  252.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3369  209.3947  252.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0462  208.6045  254.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0452  208.3094  255.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3370  208.7979  254.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
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  200.6378  213.7786  248.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
-0.32565927,179.16839585,-0.34243115,-179.77521222,-0.99169737,198.46275298
212.31494336,249.67068730,-0.56419556,0.18906693,2.14115154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444479/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.92012

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-2.47988

>  <SCORE.INTRA.DIHEDRAL>
-5.62047

>  <SCORE.INTRA.DIHEDRAL.0>
5.62684

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.330353

>  <SCORE.INTRA.VDW.0>
-0.595354

>  <SCORE.INTRA.norm>
-0.0855133

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.273107

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001421

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  202.5264  188.2876  238.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7720  188.2681  239.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0329  187.8993  240.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3034  187.9211  241.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2867  188.3241  242.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0255  188.6777  242.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7684  188.6460  240.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6553  187.4839  242.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5467  187.1381  241.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7423  187.5243  243.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0396  187.1590  243.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0522  187.9986  243.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0996  189.3202  244.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2483  189.6305  245.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7017  188.6217  245.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9606  187.2454  245.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9788  186.2780  246.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7572  188.8961  246.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2985  190.2112  247.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8788  191.2344  246.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8762  190.9500  245.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1161  190.5210  247.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2624  187.5555  242.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3793  186.2200  242.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4808  185.7876  241.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4884  186.6873  241.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4090  188.0099  241.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3048  188.4399  242.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8303  186.1647  240.4885 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
1.71815002,-177.91930946,65.07822293,2.27347995,206.96000097,188.06157877
243.10210806,2.81707006,-0.20934373,1.25118937

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444480/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.19764

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-1.20236

>  <SCORE.INTRA.DIHEDRAL>
-2.38062

>  <SCORE.INTRA.DIHEDRAL.0>
4.42076

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0120562

>  <SCORE.INTRA.VDW.0>
-1.06966

>  <SCORE.INTRA.norm>
-0.0414609

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.282677

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  221.6671  184.3053  243.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9483  185.7798  243.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9101  186.5056  242.6718 N   0  3  0  0  0  0  0  0  0  0  0  0
  223.0219  187.9350  243.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5480  188.1430  244.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2437  185.8052  242.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3841  186.4369  241.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4322  186.4950  241.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0509  187.1310  240.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
177.98128108,60.77121581,-177.68583680,58.89460999,222.91182514,186.50408871
242.67209178,-2.87536956,-0.49566603,-0.42413674

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444481/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.2468

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-0.153198

>  <SCORE.INTRA.DIHEDRAL>
-0.159667

>  <SCORE.INTRA.DIHEDRAL.0>
0.184912

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0733642

>  <SCORE.INTRA.VDW.0>
8.71823

>  <SCORE.INTRA.norm>
-0.017022

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.02742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.249688

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  215.7222  183.6787  241.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2191  182.2832  241.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1138  181.3793  242.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4326  181.2844  242.8311 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.3562  181.5653  241.6541 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.5894  182.4052  240.7799 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6805  182.2189  242.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8533  180.9721  243.3344 I   0  0  0  0  0  0  0  0  0  0  0  0
  217.5430  182.2329  244.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9434  181.6416  245.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7578  180.2214  245.7484 P   0  0  1  0  0  0  0  0  0  0  0  0
  217.3872  180.5742  247.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0720  179.2117  245.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9597  178.6387  243.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0831  178.1504  242.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0296  177.8587  241.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8390  178.0878  240.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7097  178.5494  241.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7695  178.7923  242.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8199  177.9206  239.3862 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.7375  177.2807  238.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8717  178.4362  238.7710 O   0  5  0  0  0  0  0  0  0  0  0  0
  218.6192  178.7192  246.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1296  177.8792  247.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8445  176.7776  247.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0388  176.4222  247.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5002  177.1677  246.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8058  178.3054  245.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3606  181.7344  240.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  1  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
79.60895392,62.45007652,65.10897529,147.00134677,91.79720133,-88.45044950
31.54991845,218.04741748,180.01792963,243.28681020,-2.36472487,0.65088598
2.26345393

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444498/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.64933

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-4.75067

>  <SCORE.INTRA.DIHEDRAL>
0.785423

>  <SCORE.INTRA.DIHEDRAL.0>
10.5959

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.14338

>  <SCORE.INTRA.VDW.0>
-2.18238

>  <SCORE.INTRA.norm>
-0.163816

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.26377

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000349

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  205.2345  214.9078  245.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7182  215.2359  245.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5299  214.0348  245.2675 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1061  213.4353  246.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0899  213.8158  247.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8002  213.0293  248.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5050  211.8816  248.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5146  211.4831  246.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8125  212.2754  245.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6401  212.2120  244.5974 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8880  213.2986  244.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8096  213.2897  242.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5343  212.1001  242.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9863  211.4050  243.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7342  210.1913  243.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7188  210.1086  244.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3733  208.8522  245.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5472  207.7510  245.2212 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.6798  207.8607  246.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2989  207.8309  246.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4668  208.1806  247.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0090  208.4615  248.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3928  208.4678  248.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2404  208.2738  247.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5906  208.6673  247.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1652  209.0266  246.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3165  206.4429  245.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4539  205.2508  244.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7891  211.7521  240.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1781  214.2977  241.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-94.82579691,-36.99011051,-34.55417196,-160.48500833,209.01316953,210.80446172
245.51513539,2.77858400,1.11536867,-1.45449387

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444499/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09896

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-1.30104

>  <SCORE.INTRA.DIHEDRAL>
-0.832007

>  <SCORE.INTRA.DIHEDRAL.0>
10.5707

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.88504

>  <SCORE.INTRA.VDW.0>
-2.63021

>  <SCORE.INTRA.norm>
-0.0433681

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.269965

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002578

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  188.6805  211.2816  253.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7377  210.8060  254.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3510  211.3764  255.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0644  209.2501  253.9652 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.2030  208.7658  254.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5275  209.5367  254.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1665  209.4962  253.4894 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9355  210.7170  253.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0275  211.8523  252.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7982  212.9703  253.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5402  213.3334  254.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6762  213.8920  253.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0231  208.2917  253.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3116  207.1060  252.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9844  205.9546  253.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2184  205.6890  254.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3774  204.8093  252.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7975  208.3757  254.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8708  206.8775  254.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4408  206.4168  252.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5886  205.0870  252.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1354  204.1779  253.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4923  204.5744  254.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9779  203.6156  255.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2987  203.9609  256.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1542  205.2750  257.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6981  206.2470  256.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3544  205.9325  254.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5293  208.9556  252.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9149  208.7113  251.3728 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4 18  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  3  0  0  0  0
M  END
>  <CHROM.1>
176.26420531,-53.26492899,169.43271795,-60.16533977,149.06696776,-76.74936458
92.65735876,111.51069745,-112.37369149,-91.05599227,191.03634759,208.19322617
254.00931639,1.27870014,0.13738714,-0.10222389

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444500/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09968

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.513333

>  <SCORE.INTRA>
-7.30032

>  <SCORE.INTRA.DIHEDRAL>
-2.35421

>  <SCORE.INTRA.DIHEDRAL.0>
7.07631

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.12322

>  <SCORE.INTRA.VDW.0>
-0.801387

>  <SCORE.INTRA.norm>
-0.243344

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.269989

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007176

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  196.8196  227.2613  247.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4268  227.0995  248.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9609  227.0462  248.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0641  228.3597  249.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9111  225.8464  249.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4878  225.4317  250.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9961  224.3209  251.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9160  223.5809  250.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3509  223.9647  249.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8391  225.0822  248.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4387  222.4102  251.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0147  222.0949  252.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3365  221.7154  250.8835 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8122  220.5975  251.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7445  221.0268  252.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2537  222.1062  253.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9820  221.7706  254.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4945  222.7719  255.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2894  224.1113  255.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5497  224.4622  254.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0400  223.4568  253.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0013  225.3754  256.2140 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.0650  226.4642  256.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6658  224.7736  257.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2217  225.9278  255.1987 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7763  222.0870  250.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8964  225.1854  255.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8248  226.3586  254.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
171.01908026,-2.11128161,90.32810898,-55.07025841,-84.52738590,-140.48323205
-62.81123103,195.38682251,224.38077419,252.35687997,-0.72348945,1.06415611
1.14944403

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444501/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.04558

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-3.35442

>  <SCORE.INTRA.DIHEDRAL>
-2.35599

>  <SCORE.INTRA.DIHEDRAL.0>
6.04849

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.17643

>  <SCORE.INTRA.VDW.0>
1.01302

>  <SCORE.INTRA.norm>
-0.134177

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.361823

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001523

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  219.3584  183.6305  237.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6942  183.0358  238.7636 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2426  183.0922  238.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4010  182.3243  239.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8820  181.7077  240.7132 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7201  181.0116  241.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1501  180.3635  242.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0445  179.7629  243.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3857  179.7081  243.4565 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8030  180.3654  242.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0650  181.0095  241.4218 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2665  179.2638  244.5732 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9605  179.5242  244.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8513  180.1815  243.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7367  178.7082  245.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9245  179.7235  246.9464 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.8370  180.9014  246.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1427  180.4144  246.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6259  180.2498  247.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0583  179.8950  245.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1063  179.4922  247.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
178.94020858,88.69634528,-54.82035193,-61.10386000,63.98440016,66.43369031
219.63871580,180.80678223,242.97495061,-1.73018852,-0.00667509,1.95687524

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444502/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.44035

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-3.95965

>  <SCORE.INTRA.DIHEDRAL>
-5.58595

>  <SCORE.INTRA.DIHEDRAL.0>
8.91212

>  <SCORE.INTRA.POLAR>
-0.0867775

>  <SCORE.INTRA.POLAR.0>
-0.913222

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.871635

>  <SCORE.INTRA.VDW.0>
-0.443904

>  <SCORE.INTRA.norm>
-0.208403

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.286334

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008771

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  198.6460  200.0129  254.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2965  199.6261  252.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3771  198.7672  252.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2653  197.5506  251.9053 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6132  199.4461  251.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6921  200.7954  251.7382 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8489  201.3496  251.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8741  200.6006  250.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7959  199.2581  250.6027 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6413  198.6967  251.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
103.68875982,-1.54681009,200.55515898,199.58481356,251.81193869,3.08275317
-0.55209741,-2.81876560

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444503/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4855

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.914503

>  <SCORE.INTRA.DIHEDRAL>
0.264477

>  <SCORE.INTRA.DIHEDRAL.0>
1.13496

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.04674

>  <SCORE.INTRA.VDW.0>
1.15848

>  <SCORE.INTRA.norm>
-0.0914503

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.64855

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000592

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  191.7684  223.3917  256.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2175  223.6227  255.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0717  222.3422  254.4656 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5832  222.3896  253.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3126  223.4009  252.5716 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5055  221.0169  252.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0887  220.9050  251.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0686  219.6627  250.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4633  218.4983  251.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8491  218.6047  252.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8811  219.8554  253.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5025  217.2240  250.6955 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2978  216.9825  249.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0630  217.8765  248.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3705  215.6607  248.9194 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3469  214.4330  249.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6291  214.0236  250.4961 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.4206  212.7412  251.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2045  212.9696  252.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0284  214.4537  252.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9818  215.0445  251.4602 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0518  215.4511  247.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0922  216.0151  246.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7711  216.5678  245.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3981  215.8780  246.9515 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8880  216.6826  247.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7939  218.0146  247.8984 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2196  218.4777  249.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6535  217.4270  249.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5269  216.2760  249.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1248  217.7120  251.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8834  216.4659  251.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1065  215.5200  246.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 17 16  1  1  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.97392389,2.43635546,-176.67638325,6.94849031,-77.61440814,69.25120871
179.71363963,-140.78556547,-74.15896295,-52.56906295,191.40283924,217.86840737
250.69047541,-2.04519377,1.42088985,-2.03398069

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444504/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39945

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496774

>  <SCORE.INTRA>
-9.00055

>  <SCORE.INTRA.DIHEDRAL>
-5.57676

>  <SCORE.INTRA.DIHEDRAL.0>
10.822

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.21217

>  <SCORE.INTRA.VDW.0>
-0.351454

>  <SCORE.INTRA.norm>
-0.29034

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.206434

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000127

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  204.7395  201.4462  250.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4461  202.8892  250.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6938  203.4588  249.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1406  202.7719  247.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5888  203.1749  247.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7650  204.7199  247.3379 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7704  205.4807  248.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7813  204.9000  248.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9561  206.9683  248.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3642  207.2482  248.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3730  206.7849  247.7684 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.2869  205.2047  247.4617 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.0283  205.0194  246.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4713  205.5455  246.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5851  206.9798  246.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8392  207.3119  247.9699 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.4633  206.7805  249.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9623  208.8450  248.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0316  209.6387  248.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2464  209.2672  248.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0310  204.2712  248.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9944  203.6868  251.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3786  210.2146  248.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
2.51340490,179.07698282,207.63566437,205.61158222,248.29511537,-2.61305103
0.58524211,0.39003719

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444505/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.795

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-1.605

>  <SCORE.INTRA.DIHEDRAL>
-0.281332

>  <SCORE.INTRA.DIHEDRAL.0>
0.310488

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.46433

>  <SCORE.INTRA.VDW.0>
1.93232

>  <SCORE.INTRA.norm>
-0.0729546

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.217955

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004707

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  204.1787  213.4741  247.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1859  214.8978  246.9222 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6697  215.5715  248.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9319  215.3948  248.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2834  216.1983  249.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4044  217.1559  250.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1496  217.3647  249.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7990  216.5616  248.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2157  218.4403  250.1643 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0888  219.5988  249.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0072  219.7430  248.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9566  218.8544  248.3963 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9540  218.0186  249.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8663  217.9368  250.4222 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6058  216.7301  251.0563 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4606  216.2798  250.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0255  216.9944  249.4374 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9975  220.8168  247.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0686  221.7120  247.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0441  222.7259  246.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9537  222.8505  245.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8801  221.9655  245.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9010  220.9531  246.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8242  214.5149  248.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7697  215.0945  247.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0837  215.7824  245.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7608  217.1433  246.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0374  217.7806  245.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6201  217.0635  243.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9229  215.7077  243.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6464  215.0674  244.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5607  216.7463  252.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
55.77239959,94.88405066,109.81769280,-2.51300030,-59.10642839,90.98388951
203.78846791,217.61956906,247.73095693,0.45902978,-0.73380209,2.41247514

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444507/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.00992

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-7.39008

>  <SCORE.INTRA.DIHEDRAL>
-7.65524

>  <SCORE.INTRA.DIHEDRAL.0>
17.1344

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.56246

>  <SCORE.INTRA.VDW.0>
0.447581

>  <SCORE.INTRA.norm>
-0.23839

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.129352

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000575

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  202.3206  199.5048  255.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0836  199.1238  254.7012 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0584  198.9425  253.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1061  198.0215  252.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9259  197.7739  251.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6870  198.4539  250.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6567  199.3668  251.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8429  199.6054  252.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4315  198.2505  249.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4004  198.0038  248.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8208  197.8788  248.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2190  197.2998  249.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5741  197.0517  250.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5453  197.4291  249.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1402  198.0710  247.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7849  198.2880  247.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8502  197.1240  249.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8228  198.1362  249.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0285  196.4484  251.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5858  197.0215  252.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9867  198.1827  248.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7881  198.1263  248.2862 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <CHROM.1>
151.57088163,-131.98141090,35.06689505,-52.41163625,-135.25598963,202.67345787
198.08390702,250.59057145,-2.66723456,0.13239778,-1.71263289

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444508/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.61832

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-6.78168

>  <SCORE.INTRA.DIHEDRAL>
-9.71238

>  <SCORE.INTRA.DIHEDRAL.0>
26.8962

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.92549

>  <SCORE.INTRA.VDW.0>
3.86915

>  <SCORE.INTRA.norm>
-0.308258

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.164469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002215

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  191.3621  212.3810  260.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6841  211.5693  261.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9070  210.3705  261.9948 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8287  212.3306  262.6525 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0572  211.8677  263.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1490  212.7587  264.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2852  212.3367  265.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3167  211.0219  265.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2837  210.1576  265.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1447  210.5775  264.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4044  210.5109  266.7561 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3798  211.2330  267.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1892  212.4273  267.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4785  210.4280  268.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3743  209.3187  267.3313 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.5391  210.4395  266.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3799  210.9946  266.5654 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.2682  212.0645  265.7127 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.3448  212.1852  264.9457 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.1091  211.0930  265.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2040  210.7543  264.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6849  211.6576  263.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7709  211.3030  262.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3279  210.0245  262.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8075  209.0960  263.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7667  209.4771  264.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3795  207.8527  263.5722 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4759  207.1540  264.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1973  212.2813  261.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9557  211.8540  260.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6320  213.2701  262.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.4642  209.5176  266.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-173.33426704,-0.67036730,-73.37254019,-57.02745752,-93.58615600,-172.93371003
-159.23149747,146.02374154,186.07409009,210.84446037,264.54332529,0.54365046
0.23860869,-1.00297482

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444509/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94792

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-7.45208

>  <SCORE.INTRA.DIHEDRAL>
0.161583

>  <SCORE.INTRA.DIHEDRAL.0>
7.79702

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.53287

>  <SCORE.INTRA.VDW.0>
2.42394

>  <SCORE.INTRA.norm>
-0.248403

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.198264

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  188.2702  210.8522  254.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9515  210.6872  254.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4436  211.9619  253.9648 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4845  212.8241  254.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5980  212.1799  254.5040 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4361  214.2623  254.1154 N   0  3  0  0  0  0  0  0  0  0  0  0
  186.3799  214.7863  253.7397 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4647  214.8835  254.4129 O   0  5  0  0  0  0  0  0  0  0  0  0
  185.0583  212.2017  253.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5034  213.0493  254.6114 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4432  212.4098  255.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0158  213.4538  256.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4361  215.0245  257.0607 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  2   6   1   8  -1
M  END
>  <CHROM.1>
123.37371676,-65.53506599,172.51623722,-62.43244817,186.03236426,213.79033953
255.61951274,1.04228908,-0.46951153,-2.57947964

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444510/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.11453

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-1.28547

>  <SCORE.INTRA.DIHEDRAL>
0.319876

>  <SCORE.INTRA.DIHEDRAL.0>
2.52496

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.4454

>  <SCORE.INTRA.VDW.0>
-0.809852

>  <SCORE.INTRA.norm>
-0.0988819

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.624195

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 51 51  0  0  0  0  0  0  0  0999 V2000
  185.8105  215.9287  254.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8837  216.9867  255.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8996  216.4534  256.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1621  217.5357  256.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0292  218.3210  257.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9184  215.5034  255.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7217  215.4539  254.1708 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.2100  214.7004  256.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6697  213.3353  256.5628 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.4515  213.4243  257.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9416  213.1794  258.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7503  213.8683  257.8214 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.6570  213.9900  258.9925 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.1037  214.2074  258.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2510  213.9873  259.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1413  214.8837  260.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7942  214.3834  261.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5275  216.1955  260.5510 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0734  216.8337  259.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0781  217.8112  259.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3828  218.3042  261.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5639  217.1032  261.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1623  215.1707  259.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7842  216.2274  259.9826 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0098  214.9468  260.5968 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.4882  215.8657  261.6242 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.2308  216.5919  261.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3935  215.7522  260.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3916  215.8390  258.9807 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.5995  214.8732  260.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1973  215.2187  263.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0242  215.2339  263.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0119  214.5288  263.1166 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.5954  213.8095  264.3229 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.0910  213.4629  264.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0938  214.6370  264.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6209  214.2377  264.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.2424  215.5708  265.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5173  212.5935  264.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1854  211.4480  264.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7451  212.8745  264.9826 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.4697  212.3239  256.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8528  212.2799  255.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9762  210.9073  256.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3387  212.6822  257.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6452  215.1756  256.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.0371  214.3581  256.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.4811  214.0870  260.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.0508  214.3173  260.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.5237  214.2859  262.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.9404  213.8244  265.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  1  0  0  0
  9 42  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  6  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  6  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 49  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 50  1  0  0  0  0
 34 35  1  6  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 51  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <CHROM.1>
167.85927036,-69.95576152,-17.66591933,-95.74859254,98.05361761,96.03549850
62.59421346,167.41075350,-163.89577833,-110.19064672,-58.51221419,106.14740663
108.10842973,32.36021937,94.52506637,-99.70607181,-179.82369314,164.05313793
-57.99300750,-102.68518415,175.38105051,-6.15027548,183.74892179,214.86672890
259.90370635,0.86267064,-0.33617768,-1.55523800

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444511/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6765

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.564444

>  <SCORE.INTRA>
-13.7235

>  <SCORE.INTRA.DIHEDRAL>
1.00119

>  <SCORE.INTRA.DIHEDRAL.0>
16.1982

>  <SCORE.INTRA.POLAR>
-2.79267

>  <SCORE.INTRA.POLAR.0>
-0.197249

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.72904

>  <SCORE.INTRA.VDW.0>
-6.08553

>  <SCORE.INTRA.norm>
-0.304967

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
0.259477

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.070609

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 63 64  0  0  0  0  0  0  0  0999 V2000
  203.1435  200.2440  241.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2746  199.3570  241.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8948  199.5352  241.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3905  200.5720  240.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2587  201.4571  240.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6450  201.3071  240.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6010  202.2236  239.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3434  203.6747  240.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9576  203.7915  241.4408 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3790  204.9529  241.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8409  206.0702  241.7103 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0970  204.7422  242.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3604  203.9641  243.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0435  202.4729  243.8443 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2878  201.5674  243.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3570  201.9293  243.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1139  200.3320  244.3227 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0818  202.0381  244.8655 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0619  201.1607  244.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8026  200.7576  243.4783 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1684  200.8453  245.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8653  199.9276  246.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7927  200.6437  247.7780 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1993  199.7076  248.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4752  198.5252  248.7597 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1498  200.2723  250.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9980  201.0760  247.0642 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0113  201.7330  247.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9444  202.9125  248.0495 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2648  200.9091  247.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9003  200.4903  246.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2487  199.7209  246.6905 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.1773  198.3612  247.4298 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8370  197.1593  246.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5727  197.3555  245.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3560  197.6471  246.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6231  198.6109  246.3546 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1517  196.7354  247.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4923  198.1055  248.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5553  198.6346  247.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3826  197.3115  249.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7823  199.5826  245.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0770  199.6165  244.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1250  199.4806  245.1788 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9685  198.7479  242.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5154  197.8746  243.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4566  197.0576  243.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1049  197.0668  243.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4573  196.1466  244.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4008  195.5374  245.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6448  196.0578  244.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9319  194.4887  246.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3924  193.3490  245.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4043  203.1780  242.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9410  199.7906  244.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2883  202.2842  245.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8403  201.2030  250.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2719  200.5131  246.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3955  196.9271  248.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1878  197.1921  249.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6198  199.4603  246.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2159  192.5998  246.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.1064  193.0023  244.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 54  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 57  1  0  0  0  0
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 27 58  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  1  0  0  0  0
 32 42  1  0  0  0  0
 33 34  1  6  0  0  0
 33 39  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 59  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 60  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 61  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 51  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 62  1  0  0  0  0
 53 63  1  0  0  0  0
M  END
>  <CHROM.1>
11.99042579,-125.38368002,35.87392711,-164.41234200,-50.16808727,64.67587784
-98.76164496,107.88345095,-30.75288585,139.53362331,-176.82560139,-73.77761187
82.79838191,167.44360072,40.05200621,-179.18590744,1.62419598,-76.32950650
61.86466203,175.97344916,62.03916227,89.01297323,-24.02937889,-52.50043650
-21.75037426,-57.32337599,126.44250747,177.14889287,-173.88489415,2.89400813
179.85029941,0.26611277,64.89306939,171.48622831,201.85906855,199.86674613
244.91667297,1.40197986,-0.46211366,-0.81355430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444512/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
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>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
0.233567

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000615

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  198.3262  212.9770  247.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5159  213.2264  246.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3432  213.8646  245.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4901  213.1951  244.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9291  211.8088  243.7138 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9436  211.6187  242.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3755  211.7796  243.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7861  210.7829  244.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2017  210.9725  244.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3474  210.7042  244.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4380  210.6894  245.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0012  209.5411  243.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5651  208.2751  244.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5504  207.2475  243.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5375  207.0124  242.4068 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.4704  205.8188  242.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1400  206.6476  241.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0794  208.2728  241.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1398  208.1426  240.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
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M  CHG  1  15   1
M  END
>  <CHROM.1>
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179.16134081,-177.59419940,-65.09570123,-172.44882444,178.77152170,199.58650994
210.10870264,243.79897569,1.62945327,0.41682145,0.52354901

>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
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>  <Rbt.Library>
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>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
3.43511

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.562514

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057557

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  194.1883  220.1120  259.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1377  219.1742  259.8251 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7274  219.6134  259.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0357  220.3835  260.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3746  219.2121  258.1152 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0623  219.4644  257.5203 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9747  218.8448  256.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1094  219.6451  254.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9981  219.0850  253.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7709  217.7177  253.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6716  216.9035  254.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7813  217.4597  255.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0348  218.8297  258.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0426  219.4427  258.8661 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3861  217.5655  258.8557 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5392  216.8313  259.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1335  216.6158  259.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1916  215.4518  259.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4954  217.5367  261.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4143  217.7859  259.4291 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7461  216.7412  260.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9270  216.9167  260.9354 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1361  215.3542  259.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5473  214.9796  258.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8905  215.6863  257.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3150  215.3516  255.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3891  214.3243  255.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0384  213.6331  256.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6044  213.9479  258.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1391  212.6438  256.7881 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.6541  216.0395  254.7182 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.9927  218.6085  257.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9276  217.6118  258.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-91.57205854,167.84768223,-177.64012077,-101.90787284,131.10199527,178.54708473
61.26578741,-76.73477078,64.13054220,190.84672199,217.17835158,257.86802548
-1.68308726,1.18864085,-2.20776776

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444524/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.5652

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-3.83477

>  <SCORE.INTRA.DIHEDRAL>
-0.552564

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.55849

>  <SCORE.INTRA.VDW.0>
-3.68042

>  <SCORE.INTRA.norm>
-0.123702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.340814

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001305

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  199.9093  199.0837  244.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7169  200.0457  245.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3057  201.3607  245.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1070  202.2840  246.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3011  201.8644  247.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7042  200.5477  247.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9188  199.6484  246.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0914  202.7721  248.8032 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0249  202.9319  249.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5353  202.0074  250.4422 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3535  204.3894  250.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9847  205.0481  248.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4055  204.6094  248.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4917  203.3269  247.8495 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8685  202.2220  248.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0425  202.2236  249.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0162  201.0222  247.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4212  199.7922  248.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8002  199.3839  249.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2170  198.1542  249.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5443  197.8663  251.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0285  196.6071  251.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3892  196.3558  252.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2736  197.3621  253.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8041  198.6229  253.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4424  198.8760  252.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5867  201.4432  246.0903 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.2812  203.1288  246.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8187  204.2473  245.3559 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.5829  203.6537  246.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1334  203.0037  249.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-131.22388139,-49.51504727,-62.67373153,-71.46414266,79.07981009,-102.09688707
-179.17768244,-177.65371542,201.92101533,201.23749424,248.44715191,2.99887009
-1.03397674,0.57758200

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444525/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.12093

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-12.2791

>  <SCORE.INTRA.DIHEDRAL>
-11.4566

>  <SCORE.INTRA.DIHEDRAL.0>
17.5307

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.55076

>  <SCORE.INTRA.VDW.0>
-1.01547

>  <SCORE.INTRA.norm>
-0.409302

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0373643

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000046

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 22  0  0  0  0  0  0  0  0999 V2000
  199.0536  218.3227  258.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2044  217.0733  257.8379 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.8350  217.4548  256.4355 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4495  217.6319  255.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7541  219.1417  255.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3892  219.5511  256.4061 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3979  219.6667  257.7168 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5449  220.1445  258.8173 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7174  219.3499  259.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4490  217.8337  259.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0606  216.8730  258.7193 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2805  217.6230  260.0107 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7247  218.8751  260.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7582  219.8202  260.2739 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4523  220.5710  257.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7327  218.3812  256.7863 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6576  216.9963  259.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4544  220.7630  260.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0144  221.4060  257.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  6  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
-173.67057651,197.21770449,218.67996932,257.96834444,-0.60994026,0.85221741
0.77914249

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444527/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.10846

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3375

>  <SCORE.INTRA>
-0.29154

>  <SCORE.INTRA.DIHEDRAL>
-0.24016

>  <SCORE.INTRA.DIHEDRAL.0>
0.317606

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.17146

>  <SCORE.INTRA.VDW.0>
0.119218

>  <SCORE.INTRA.norm>
-0.0182213

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.319279

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001945

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  198.3796  221.1618  256.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5167  220.0899  256.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7996  218.9896  256.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9573  219.0119  255.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9518  219.9443  255.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6804  221.0677  256.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7453  222.1132  256.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4915  223.1143  257.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9851  221.9429  255.9713 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5249  217.3749  256.0776 Hg  0  0  0  0  0  0  0  0  0  0  0  0
  195.0422  215.5560  256.1180 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.7075  222.5935  256.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
35.20605598,-0.36387486,179.63626474,197.42574237,218.39901508,256.14959408
0.76243459,0.41392102,0.46046314

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444528/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32409

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.0759071

>  <SCORE.INTRA.DIHEDRAL>
-0.0096194

>  <SCORE.INTRA.DIHEDRAL.0>
0.404863

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0710974

>  <SCORE.INTRA.VDW.0>
-0.232454

>  <SCORE.INTRA.norm>
-0.00690064

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.665827

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004718

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  202.4191  201.3949  244.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0398  202.6640  244.9236 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7841  203.8031  244.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1888  204.7870  245.4405 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0224  204.2889  245.9761 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9411  203.0181  245.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6537  201.9413  246.0567 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.7417  202.9134  247.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9850  204.1037  246.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8189  203.8990  245.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1374  204.9807  245.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6100  206.2923  245.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7833  206.5010  246.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4646  205.4185  246.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8435  207.4057  244.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0438  208.5754  245.2594 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9227  207.0891  243.9346 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4731  206.6787  242.7225 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1884  205.5179  242.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4970  205.3290  242.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5546  206.2123  243.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7884  205.7085  243.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0755  204.3092  242.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1299  203.4178  242.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7223  203.9004  242.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6487  203.2485  242.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6231  204.1718  242.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4375  203.9510  241.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5008  201.6185  242.3012 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.8109  206.5055  243.5443 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.9690  206.7874  244.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8575  206.9178  241.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
168.02106227,71.31351238,72.58891979,164.54708106,-71.32915624,66.16809611
-88.55431755,198.60462583,204.16535348,244.10711833,-0.38943907,-0.54547190
0.82668990

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444529/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.92457

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-7.47543

>  <SCORE.INTRA.DIHEDRAL>
1.05383

>  <SCORE.INTRA.DIHEDRAL.0>
2.5541

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.00235

>  <SCORE.INTRA.VDW.0>
-1.22349

>  <SCORE.INTRA.norm>
-0.249181

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.164152

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000578

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  215.6277  193.1892  245.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8716  191.7925  245.4986 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.0759  191.9866  246.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9660  191.9672  247.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1408  192.1742  249.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4217  192.3609  249.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5250  192.3131  248.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3534  192.1313  247.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9699  190.6907  245.0734 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4067  189.6197  244.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5602  188.4360  244.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0762  187.3216  243.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2233  186.2594  243.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8692  186.3037  243.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3799  187.4194  244.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2222  188.4466  244.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
88.44939110,121.76282586,179.53363327,215.09908937,190.17383820,245.76605067
-0.83069759,-1.01515319,-1.74810801

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444538/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.42785

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-2.97215

>  <SCORE.INTRA.DIHEDRAL>
-2.53046

>  <SCORE.INTRA.DIHEDRAL.0>
3.25188

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.70692

>  <SCORE.INTRA.VDW.0>
1.0505

>  <SCORE.INTRA.norm>
-0.185759

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.339241

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001602

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  181.8640  202.6468  260.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5659  201.3046  260.7467 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.5478  200.2099  261.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3865  199.7242  262.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4644  198.7104  262.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6896  198.1750  261.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8398  198.6445  260.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7671  199.6500  260.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4215  200.9948  259.5771 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0741  199.7052  259.7091 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.1118  201.7421  259.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.6989  199.5428  258.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.4127  198.9245  259.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-105.97900437,-177.33731778,-176.82611609,181.65413978,200.02183186,260.78555636
0.53243150,0.59327170,0.18522036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444539/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.01716

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-0.38284

>  <SCORE.INTRA.DIHEDRAL>
-0.201408

>  <SCORE.INTRA.DIHEDRAL.0>
0.959617

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.282136

>  <SCORE.INTRA.VDW.0>
-0.47526

>  <SCORE.INTRA.norm>
-0.038284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.801716

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026083

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  185.8187  225.1780  261.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8927  225.8723  262.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1175  225.6896  261.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3009  224.7358  260.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2214  223.9076  260.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9519  224.1608  260.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5733  224.6198  259.9788 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.5296  224.5050  259.4585 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  3  0  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
-150.44974102,187.83825497,224.82945844,260.76566123,-2.75006083,-0.23584523
-2.36078032

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444540/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39253

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.00747217

>  <SCORE.INTRA.DIHEDRAL>
-0.0122271

>  <SCORE.INTRA.DIHEDRAL.0>
0.40324

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0013586

>  <SCORE.INTRA.VDW.0>
-0.244284

>  <SCORE.INTRA.norm>
-0.000934022

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.799066

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012836

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  213.2972  181.1999  243.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4771  180.6421  242.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8682  181.6851  241.3510 P   0  0  0  0  0  0  0  0  0  0  0  0
  213.5300  181.3885  240.2301 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.7160  180.5561  241.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4286  180.4911  241.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2592  182.7282  240.1125 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7200  184.0487  240.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5569  184.6238  241.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9204  185.9727  241.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4903  186.7739  239.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6800  186.2153  238.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2806  184.8660  239.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8836  188.1518  239.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2329  189.2601  239.9462 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  3  0  0  0  0
M  END
>  <CHROM.1>
87.89598232,92.08968891,68.27886457,-5.43259764,212.15278571,183.39111914
240.77373403,-1.70834666,-0.55049216,-0.33840966

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444541/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.63404

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-1.76596

>  <SCORE.INTRA.DIHEDRAL>
-1.27689

>  <SCORE.INTRA.DIHEDRAL.0>
3.01145

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12751

>  <SCORE.INTRA.VDW.0>
-0.16521

>  <SCORE.INTRA.norm>
-0.11773

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.508936

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011916

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 29  0  0  0  0  0  0  0  0999 V2000
  190.3455  202.6597  244.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6610  202.7351  243.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0734  203.2139  243.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8770  203.4682  242.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1819  203.9370  242.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6471  204.1260  243.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8158  203.8305  244.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1660  203.9449  246.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2207  203.6483  247.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9155  203.2188  246.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6138  203.0948  245.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5497  203.3948  244.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5395  204.3789  246.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8517  204.4600  247.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3729  204.7072  245.3319 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9992  204.6471  243.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7236  204.9630  243.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6947  205.1678  245.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7745  204.7682  244.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0686  205.2083  245.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3006  205.9851  246.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2269  206.3703  247.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9221  206.0048  246.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8826  206.4998  246.7299 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.3303  204.7774  244.0255 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
141.22891630,196.31709066,204.52338519,245.10959336,2.95944031,-0.25188228
-1.73406685

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444542/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.73164

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.256

>  <SCORE.INTRA>
-0.668359

>  <SCORE.INTRA.DIHEDRAL>
-3.90651

>  <SCORE.INTRA.DIHEDRAL.0>
9.00066

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.2849

>  <SCORE.INTRA.VDW.0>
-0.688742

>  <SCORE.INTRA.norm>
-0.0267344

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.229266

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000644

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  203.9077  197.6736  235.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2323  197.6201  234.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9964  197.0091  233.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8568  199.0140  234.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2069  199.6193  236.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1665  199.0997  236.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7807  198.0717  236.6723 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4209  199.8215  238.0594 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7239  200.9393  238.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8724  201.4886  237.7806 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1079  201.5105  239.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5378  200.4277  241.1743 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.2762  198.8382  240.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0102  198.4826  239.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8588  197.2706  239.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9573  196.4291  239.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1686  196.8469  239.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3495  198.0133  240.2425 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8531  195.1342  238.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3430  195.2071  237.0034 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.5343  194.1237  238.8763 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.5686  194.7038  238.1504 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.6022  199.4715  240.0454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.7220  200.4628  236.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.0828  199.3728  238.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
62.96411108,64.80918424,-71.86509198,19.94246437,-93.39592109,102.03230230
205.89421303,198.20331522,238.24701823,-2.92534153,1.47463066,2.02948883

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444544/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.18173

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-3.21827

>  <SCORE.INTRA.DIHEDRAL>
1.77687

>  <SCORE.INTRA.DIHEDRAL.0>
5.28519

>  <SCORE.INTRA.POLAR>
-0.190545

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.45885

>  <SCORE.INTRA.VDW.0>
-2.38608

>  <SCORE.INTRA.norm>
-0.139925

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.355727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  192.8262  221.8264  265.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9958  222.6302  264.2705 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5587  222.6756  264.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7272  221.4867  264.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8701  221.5817  263.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0841  220.4921  262.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1453  219.2965  263.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9933  219.1901  264.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7795  220.2779  264.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6288  224.1996  263.9639 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.3211  225.0455  265.0986 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9931  224.0532  263.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6464  224.7902  262.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4464  226.1660  262.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7671  226.6494  261.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3063  225.7722  260.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5040  224.3995  260.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1915  223.9057  261.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6664  226.3721  259.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2532  226.5145  259.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8869  227.3780  260.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9017  228.6095  260.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5357  226.7084  261.7988 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1868  227.4922  262.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1054  227.1198  264.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0606  225.6104  264.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3825  224.8326  263.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5018  225.2572  261.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7168  225.1327  265.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6578  223.6742  265.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4428  223.1734  266.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4014  221.8133  266.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5790  220.9459  266.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7969  221.4327  265.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8374  222.7874  264.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-83.29878783,-77.86326371,-101.80562160,151.92054688,-91.55408258,60.78482740
82.81046806,-176.70632840,66.54011510,189.34187603,224.04791133,263.33786484
-1.66035921,0.10427818,-0.60217996

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444545/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79072

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411429

>  <SCORE.INTRA>
-8.60928

>  <SCORE.INTRA.DIHEDRAL>
1.1985

>  <SCORE.INTRA.DIHEDRAL.0>
8.66537

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.20853

>  <SCORE.INTRA.VDW.0>
-0.906396

>  <SCORE.INTRA.norm>
-0.245979

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.165449

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000549

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  192.5952  220.6761  259.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4631  220.7818  258.4583 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.7257  221.2542  257.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8771  222.2249  256.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7672  223.0825  256.2556 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.8378  224.5733  256.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1097  225.0664  257.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2004  226.4084  258.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0288  227.2773  257.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7643  226.8077  256.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6661  225.4698  255.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7144  222.9104  254.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6182  222.6199  256.2181 Br  0  0  0  0  0  0  0  0  0  0  0  0
  192.1982  219.4859  257.8992 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5338  219.5022  256.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3357  220.0338  255.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3816  219.1292  255.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3435  219.8203  254.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5912  220.5574  253.3293 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4318  221.1403  252.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6701  221.9488  254.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  4 13  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-131.26324989,155.56380417,115.16475311,-94.48642101,51.90731254,67.49551603
71.66078558,-170.92516087,-42.87331230,-175.29658702,193.62099140,222.36638483
256.29229954,1.57924394,-1.03546884,-2.89339791

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444546/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.15872

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.72

>  <SCORE.INTRA>
-10.2413

>  <SCORE.INTRA.DIHEDRAL>
-0.09445

>  <SCORE.INTRA.DIHEDRAL.0>
7.20728

>  <SCORE.INTRA.POLAR>
-1.61821

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.69213

>  <SCORE.INTRA.VDW.0>
-0.472795

>  <SCORE.INTRA.norm>
-0.512064

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.207936

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007448

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  193.2812  204.9590  259.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5087  206.0805  260.4960 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.9204  207.0420  259.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3556  208.1845  259.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8152  206.5320  258.7599 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9854  205.8473  257.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2720  206.3225  256.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4631  205.1718  255.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3740  204.0528  256.2386 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9219  204.4705  257.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3776  203.5496  258.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4631  202.1747  258.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9455  201.2758  259.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3166  201.7336  260.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1872  203.1057  260.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7192  204.0117  259.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7566  205.1363  254.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9495  203.9099  253.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2420  203.8757  252.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3441  205.0618  251.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1614  206.2848  251.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8722  206.3203  253.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4500  205.5550  261.4092 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0508  204.8491  262.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6332  206.6484  261.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9443  207.0347  258.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
-109.86698716,67.68734446,-92.65472672,-74.96249985,178.60057820,-176.31451782
191.31068239,204.92909050,257.65382480,-1.87329676,-1.15923592,-1.82202590

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444547/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30737

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.09263

>  <SCORE.INTRA.DIHEDRAL>
-4.40272

>  <SCORE.INTRA.DIHEDRAL.0>
6.60891

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.89127

>  <SCORE.INTRA.VDW.0>
1.69937

>  <SCORE.INTRA.norm>
-0.203705

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.252295

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002425

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  201.7527  202.9902  244.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3364  202.0377  245.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6722  200.8855  245.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3912  200.6534  243.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8648  201.6275  243.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5254  202.7803  243.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6819  201.4433  241.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0420  200.3134  241.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5515  199.3610  242.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6987  199.5237  243.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0616  198.4450  244.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5070  197.4793  243.7861 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0398  198.7917  245.6349 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3784  197.9563  246.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8221  197.9837  247.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0617  197.3622  248.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8509  196.7229  248.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4510  196.6537  247.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2056  197.2765  246.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9757  196.2106  249.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0607  195.2167  249.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9636  194.5848  248.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8832  194.0607  246.9934 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2335  194.8287  250.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4099  195.4174  251.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3396  193.7905  250.5044 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4569  193.2938  251.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6814  192.1718  251.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8396  191.6102  252.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7362  192.1663  253.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4765  193.3025  253.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3273  193.8664  252.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3475  194.0225  255.2817 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.9297  190.1994  251.7739 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.3657  193.2688  249.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
-178.17161706,174.76590101,153.33058558,-156.44970426,-0.21073044,-175.32076647
196.00849748,196.46746132,248.26647663,-0.39193682,0.86827694,1.22968660

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444549/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01019

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-6.38981

>  <SCORE.INTRA.DIHEDRAL>
-19.2477

>  <SCORE.INTRA.DIHEDRAL.0>
23.3362

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
3.23405

>  <SCORE.INTRA.VDW.0>
-1.54311

>  <SCORE.INTRA.norm>
-0.187936

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.147358

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001216

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  202.9320  183.4301  247.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4836  182.0310  247.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8905  181.8439  247.6080 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0817  181.6478  249.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4332  182.0783  249.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5366  180.8095  246.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4160  181.3957  245.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5259  182.1687  246.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1650  183.4147  246.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0471  183.8736  246.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2161  183.9713  247.2200 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1829  185.1053  248.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3598  185.4677  248.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3815  186.5812  249.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2223  187.3278  249.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0404  186.9617  249.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0224  185.8539  248.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2481  188.7052  250.7948 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.0765  183.4404  247.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
77.89694827,-152.90933523,100.95809512,62.24001261,-77.86601068,-7.29641446
176.05632472,206.79972267,184.31978928,248.17926528,2.03806032,-0.28780495
-2.52533551

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444550/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.37728

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-9.02272

>  <SCORE.INTRA.DIHEDRAL>
-8.6911

>  <SCORE.INTRA.DIHEDRAL.0>
14.4781

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.67717

>  <SCORE.INTRA.VDW.0>
4.39347

>  <SCORE.INTRA.norm>
-0.501262

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.187627

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001305

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 44 47  0  0  0  0  0  0  0  0999 V2000
  213.7966  182.0916  242.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2687  183.3454  243.2652 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6172  183.6621  242.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3555  184.4580  242.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4991  185.5495  243.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5464  186.7415  243.6624 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5621  185.0487  245.2591 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5081  185.8670  246.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7983  185.2998  247.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8830  186.1064  248.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8658  187.5092  248.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5194  188.3798  249.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2280  187.8319  250.9837 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.7034  188.6832  252.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9511  188.2014  252.8827 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.9071  189.3922  253.2697 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.7253  188.8186  254.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9129  189.4296  255.4947 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3424  187.4843  254.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6818  187.4017  254.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4682  186.4084  253.7798 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4477  188.4137  254.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5527  186.4566  253.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5485  185.2877  253.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7342  187.0002  252.3257 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9090  185.9576  251.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4162  184.8804  251.2829 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5723  186.3757  251.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1607  185.5574  250.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4268  184.4302  250.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7084  187.3293  251.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7825  189.8381  252.1643 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1097  190.5131  251.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9815  190.5865  252.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4286  188.0605  247.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2118  187.2228  246.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2184  183.9907  247.6681 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8170  184.0757  245.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3544  185.4930  254.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3806  186.3824  252.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3937  188.1682  254.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4599  184.3135  251.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2347  188.0864  251.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0291  183.6908  248.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  8 36  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
 10 29  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 13 12  1  6  0  0  0
 13 28  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  6  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  6  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 35 36  2  0  0  0  0
 37 44  1  0  0  0  0
M  END
>  <CHROM.1>
157.07925044,137.11562585,-169.61167056,-158.33059516,69.37731599,-66.67899423
-177.33214721,48.08222978,-162.27886989,215.80205958,186.71445359,249.84558965
-2.36996506,-0.95912641,0.50375990

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444551/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.603421

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.281081

>  <SCORE.INTRA>
-9.79658

>  <SCORE.INTRA.DIHEDRAL>
-6.97009

>  <SCORE.INTRA.DIHEDRAL.0>
13.0028

>  <SCORE.INTRA.POLAR>
-1.54929

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.182461

>  <SCORE.INTRA.REPUL.0>
0.182461

>  <SCORE.INTRA.VDW>
-0.131652

>  <SCORE.INTRA.VDW.0>
0.383254

>  <SCORE.INTRA.norm>
-0.264772

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.0163087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031298

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  196.5113  189.5604  251.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9365  188.8004  250.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8709  189.6304  249.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2813  188.8450  247.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1507  189.5832  247.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5291  188.9059  246.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1485  187.7960  245.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3799  189.7806  245.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8133  189.2803  243.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6278  190.0569  243.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9987  191.3563  243.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5424  191.8670  244.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7324  191.0875  245.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9379  192.1122  242.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4230  191.6598  241.5335 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2632  193.3022  243.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2099  194.0776  242.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5526  195.4023  243.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5663  196.1973  242.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9243  197.5244  242.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.95276952,179.74718348,-179.74675290,3.04343749,-176.86063690,-0.94420222
177.48778222,-179.73760428,179.94208802,179.99803180,201.22157430,191.37016951
245.07926010,3.13542875,-0.90442426,-2.39802669

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444552/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.0937

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.77

>  <SCORE.INTRA>
-18.4937

>  <SCORE.INTRA.DIHEDRAL>
-40.2341

>  <SCORE.INTRA.DIHEDRAL.0>
40.4316

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.62337

>  <SCORE.INTRA.VDW.0>
-0.216269

>  <SCORE.INTRA.norm>
-0.924685

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
-0.154685

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.133723

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 29  0  0  0  0  0  0  0  0999 V2000
  182.4990  211.9231  260.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8818  212.5089  258.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4682  211.9339  258.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8648  214.0490  258.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2393  214.7598  258.8379 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.1744  214.3116  257.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3352  213.9507  257.8473 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5880  214.2940  256.4279 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2229  213.8186  255.2029 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.2109  213.5928  254.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0447  212.6200  254.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0806  212.5858  253.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4838  211.1856  254.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3118  214.8486  254.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1692  215.6165  253.8588 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4475  214.8595  255.5968 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6197  215.6594  255.2563 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3223  216.1925  256.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6122  217.3619  257.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9370  216.9859  257.8121 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.5769  218.5370  258.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5625  214.7654  254.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3239  213.5854  254.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.0101  216.2155  258.7996 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.3519  216.8137  257.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9691  216.2083  256.7542 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0769  218.2766  257.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6979  214.7657  256.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.5388  214.2147  256.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.1341  216.7385  259.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  6  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  1  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
63.85909012,54.78089510,-129.67028861,-60.48222569,165.43581623,-56.63057902
-107.08620597,175.89740844,145.49307174,-75.28130870,-1.16302429,61.25654419
174.25535495,184.30166456,214.82033261,256.65764291,2.96460688,-0.50646905
-2.28540136

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444553/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0911

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.681481

>  <SCORE.INTRA>
-8.30885

>  <SCORE.INTRA.DIHEDRAL>
-1.87958

>  <SCORE.INTRA.DIHEDRAL.0>
8.58766

>  <SCORE.INTRA.POLAR>
-1.24709

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.12896

>  <SCORE.INTRA.VDW.0>
-4.09597

>  <SCORE.INTRA.norm>
-0.307735

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.373746

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003155

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  210.1733  190.8396  232.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6646  191.6698  233.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9922  190.7893  235.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4934  191.6065  236.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8030  190.6664  237.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2858  191.3821  238.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5861  190.5852  239.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8607  189.4523  239.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2249  188.7175  241.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3305  189.0963  241.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0735  190.2196  241.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6985  190.9615  240.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6923  188.2793  242.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6342  188.6125  243.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0193  187.6614  244.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5989  186.5448  245.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0198  188.2889  245.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4190  189.5140  245.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3903  189.9533  246.0460 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5710  188.8967  246.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7314  187.8524  246.7413 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6147  188.9157  247.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4577  190.0209  248.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4026  190.0027  249.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5648  188.9723  249.9622 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7480  187.9106  249.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7720  187.8341  248.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5680  190.0984  243.9325 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
179.80464831,-179.87017520,179.55423314,-179.89595593,-37.07457753,-172.27530387
1.58606481,214.97221174,189.52418106,242.89052594,-2.30392996,0.69528846
2.26934071

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444562/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.6901

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-4.7099

>  <SCORE.INTRA.DIHEDRAL>
-10.8635

>  <SCORE.INTRA.DIHEDRAL.0>
12.8818

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.721848

>  <SCORE.INTRA.VDW.0>
0.311576

>  <SCORE.INTRA.norm>
-0.168211

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.274646

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  205.5718  203.8954  242.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2679  205.2081  242.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1806  205.7560  241.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6845  206.1229  240.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4965  206.7506  239.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8672  206.9173  239.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7567  207.4788  238.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3169  207.9136  237.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9752  207.7830  236.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0420  207.2053  237.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6097  206.9953  237.3665 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.2154  205.5509  236.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4681  204.5133  237.9637 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4156  203.4788  237.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6566  202.4734  239.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0233  201.8172  238.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1095  202.8776  238.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7838  203.8823  237.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6809  207.4242  238.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3642  206.4976  240.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5322  205.9311  241.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8695  208.3678  238.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 21  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
121.55786991,-73.98951760,54.61845730,59.46968626,142.28415621,205.82521771
205.49481342,239.13858350,-2.52532479,-0.81837595,-0.99391368

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444563/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.62071

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-7.77929

>  <SCORE.INTRA.DIHEDRAL>
-2.64278

>  <SCORE.INTRA.DIHEDRAL.0>
8.82738

>  <SCORE.INTRA.POLAR>
0.0508276

>  <SCORE.INTRA.POLAR.0>
-0.0508276

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.63071

>  <SCORE.INTRA.VDW.0>
3.51776

>  <SCORE.INTRA.norm>
-0.370442

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.0771768

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000423

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  198.7783  206.5245  258.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6191  207.1997  257.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7515  207.9196  256.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3753  208.5760  255.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5635  208.5519  254.9405 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3190  209.1883  254.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4641  210.0422  253.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7994  210.6104  252.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6587  210.8169  253.8347 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9665  210.7460  251.6540 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2501  211.2442  251.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2676  211.3418  249.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3782  210.3732  252.4934 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2535  211.5058  251.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1520  211.5308  250.9807 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5251  210.3463  251.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3526  209.7595  250.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9630  208.5648  251.2590 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7397  207.9716  252.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8822  208.4301  252.7359 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2255  209.6322  252.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5769  210.3545  249.7858 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0246  210.4051  248.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0694  211.1629  250.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99206111,4.28272236,172.84443907,-31.00107134,-177.88590082,-179.71324418
67.70316310,197.88629156,209.59379244,252.94840060,0.83998175,0.26273986
2.15271833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444564/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.11776

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-5.28224

>  <SCORE.INTRA.DIHEDRAL>
-10.4215

>  <SCORE.INTRA.DIHEDRAL.0>
14.6761

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0714991

>  <SCORE.INTRA.VDW.0>
0.440669

>  <SCORE.INTRA.norm>
-0.240102

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.323535

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000286

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  203.4803  222.1437  239.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7697  223.0159  240.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2615  223.4024  241.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7284  223.8591  239.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1017  223.6210  238.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8277  222.8579  238.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7924  224.3771  237.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8717  224.9990  238.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8219  224.6497  239.5158 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7418  225.8732  237.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4304  226.2002  236.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3194  225.6313  235.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5307  224.6642  236.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8019  226.2619  234.3975 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.2808  225.7418  233.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1026  227.2271  234.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8042  226.1344  234.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4291  225.0247  240.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
93.93051746,205.65211596,224.40736286,238.09700911,2.02389676,0.55546486
1.88687168

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444565/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.2391

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385714

>  <SCORE.INTRA>
-0.160901

>  <SCORE.INTRA.DIHEDRAL>
-0.459277

>  <SCORE.INTRA.DIHEDRAL.0>
0.946431

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0687375

>  <SCORE.INTRA.VDW.0>
-0.170529

>  <SCORE.INTRA.norm>
-0.0114929

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.374221

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000240

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  215.6404  181.3314  240.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1515  182.3204  239.0473 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.5794  183.2371  238.6483 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0597  184.1766  239.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7007  184.1149  240.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1623  185.0137  241.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9829  185.9472  241.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3345  185.9995  241.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8557  185.1471  240.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6965  184.0040  237.2777 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4526  184.7580  236.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5864  184.1344  235.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3865  184.7321  235.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0376  185.9769  236.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8823  186.6140  236.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0795  186.0093  237.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5329  185.2341  237.1717 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
62.06045227,-131.61597769,178.14898057,-96.97261354,214.72462328,184.68372592
238.15208108,0.18555723,-0.25681765,1.91297519

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444566/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.66258

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-0.737417

>  <SCORE.INTRA.DIHEDRAL>
-0.142495

>  <SCORE.INTRA.DIHEDRAL.0>
2.21824

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.66617

>  <SCORE.INTRA.VDW.0>
-3.88437

>  <SCORE.INTRA.norm>
-0.0433775

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.509564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015118

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  187.5279  215.4866  257.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2854  214.1695  257.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1938  214.0242  256.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3859  213.2572  255.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3367  213.0585  254.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0790  213.6210  254.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8574  214.3934  255.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9441  214.6012  256.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4962  215.0466  256.1491 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.6419  216.4954  256.1809 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.1312  217.0633  257.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8531  218.2528  257.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3207  218.8052  258.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0197  218.2040  259.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2360  217.0535  259.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8054  216.5079  258.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0295  215.2479  258.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8814  214.5671  257.3749 N   0  3  0  0  0  0  0  0  0  0  0  0
  181.1000  213.4413  257.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6359  212.4505  256.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8370  211.4565  257.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5346  211.4561  258.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0201  212.4501  259.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8018  213.4329  258.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4252  214.5395  259.4823 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5608  212.0326  252.9365 Br  0  0  0  0  0  0  0  0  0  0  0  0
  187.6108  212.6892  255.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1169  216.8511  255.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.3842  214.8201  260.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.1829  212.9522  255.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  1  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
135.31637157,-0.54147374,-117.69171900,183.83474246,214.17836460,256.55029642
-0.85997717,0.46351974,0.67132323

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444567/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93247

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.274074

>  <SCORE.INTRA>
-0.467529

>  <SCORE.INTRA.DIHEDRAL>
1.70734

>  <SCORE.INTRA.DIHEDRAL.0>
1.34269

>  <SCORE.INTRA.POLAR>
-0.000442095

>  <SCORE.INTRA.POLAR.0>
-0.31336

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.3197

>  <SCORE.INTRA.VDW.0>
0.641431

>  <SCORE.INTRA.norm>
-0.0173159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.256758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000166

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  201.3063  199.6070  253.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2129  199.0517  252.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9019  199.3443  251.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2643  198.8314  250.1724 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.8200  197.6644  249.3083 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5282  197.3320  248.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7554  196.9537  249.8126 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.8956  198.2499  250.6373 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1048  198.1581  252.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4403  197.4947  252.9032 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7175  195.9105  250.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9572  196.3544  250.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8673  200.4800  251.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7072  201.3964  252.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8838  200.4496  250.5013 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4322  199.2973  249.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9098  199.6257  249.7712 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9085  201.0564  249.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7523  201.5115  250.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5363  202.6983  250.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7114  199.0871  250.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6119  199.6421  252.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3682  199.1307  253.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2394  198.0636  253.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3580  197.5101  251.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6058  198.0229  250.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  2  0  0  0  0
  3 13  1  0  0  0  0
  4  3  1  1  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  1  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-24.90201505,-71.98191647,203.43563931,199.00976730,251.08422226,2.87738552
0.03342395,-2.99193043

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444568/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.71002

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.689981

>  <SCORE.INTRA.DIHEDRAL>
-1.66115

>  <SCORE.INTRA.DIHEDRAL.0>
6.5124

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.140594

>  <SCORE.INTRA.VDW.0>
-1.20116

>  <SCORE.INTRA.norm>
-0.0265377

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.258078

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002558

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 51  0  0  0  0  0  0  0  0999 V2000
  219.0560  194.9129  251.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4385  195.3889  250.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0143  195.2092  250.3587 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4097  196.0280  249.1781 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.2901  195.3048  247.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5860  194.0485  248.0600 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2698  193.0941  249.0650 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.6106  193.7140  250.4229 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.5642  193.4670  251.3740 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5649  191.8580  249.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1030  194.1706  248.0996 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2666  194.6115  249.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4995  195.2946  250.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4708  195.6178  251.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1747  195.2579  250.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9114  194.5435  249.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9353  194.2023  248.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0405  193.4727  247.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9840  192.7467  247.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3197  191.8604  246.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6826  191.7628  245.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1105  191.0681  244.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0549  189.7684  244.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5360  189.5583  242.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9031  190.6449  241.9518 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0622  191.9257  242.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8343  192.0513  243.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2055  193.0187  244.8316 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4706  192.8280  245.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2762  193.5156  247.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1088  191.3485  245.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8926  190.7332  244.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1373  191.8172  246.3711 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5730  192.7590  247.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7904  193.4195  247.9767 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7477  191.7201  246.1431 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0739  192.6050  245.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5831  193.6197  244.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1398  197.3632  248.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4719  197.1215  248.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2602  192.5409  251.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5284  191.4108  248.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.8095  193.8010  244.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3761  190.7710  246.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.8828  196.5497  249.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  1  0  0  0
  7  8  1  0  0  0  0
  7 10  1  1  0  0  0
  8  9  1  1  0  0  0
  9 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
 18 19  2  0  0  0  0
 19 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 31  1  0  0  0  0
 21 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 44  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  1  0  0  0  0
 40 45  1  0  0  0  0
M  END
>  <CHROM.1>
167.81834634,67.02069591,-74.79538241,60.24543693,172.60239260,-81.30567102
-8.74288141,-56.41952849,213.30488045,193.37943404,247.46980629,-0.73497913
-0.07180148,-2.10324797

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444569/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.241836

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.26

>  <SCORE.INTRA>
-10.1582

>  <SCORE.INTRA.DIHEDRAL>
-9.60507

>  <SCORE.INTRA.DIHEDRAL.0>
15.3245

>  <SCORE.INTRA.POLAR>
-0.870209

>  <SCORE.INTRA.POLAR.0>
-0.0885134

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.39692

>  <SCORE.INTRA.VDW.0>
-1.08826

>  <SCORE.INTRA.norm>
-0.253954

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.00604591

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002236

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 23  0  0  0  0  0  0  0  0999 V2000
  212.6465  191.0646  247.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1032  192.0937  248.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1893  193.1672  249.2027 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.6025  193.7957  247.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5636  195.1409  247.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0073  195.5200  246.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4758  194.5675  245.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5188  193.2182  245.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0887  192.8374  246.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1066  191.4061  247.4347 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.8808  191.4071  248.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9757  190.5925  249.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6023  190.7009  250.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1376  191.6119  251.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0345  192.4321  250.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4027  192.3425  249.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6135  194.1615  250.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4709  194.1265  250.6557 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4773  195.1342  250.6070 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0758  195.7551  251.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  1  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-0.94372555,179.71398810,213.99845370,192.95229950,248.68663230,-1.02965799
0.89431571,-1.34107242

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444578/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38581

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-0.0141916

>  <SCORE.INTRA.DIHEDRAL>
-0.00289251

>  <SCORE.INTRA.DIHEDRAL.0>
0.484434

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0127454

>  <SCORE.INTRA.VDW.0>
-0.703804

>  <SCORE.INTRA.norm>
-0.000746929

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.336095

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016702

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  195.8967  225.3647  260.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3746  226.6886  260.4612 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6500  227.4408  259.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5704  228.1651  258.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7211  228.9744  257.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9652  229.0860  257.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0513  228.3700  257.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8964  227.5544  258.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1278  229.9280  255.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8705  229.1617  254.6422 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7191  228.1444  254.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7154  228.3220  253.5657 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3812  226.7764  254.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2075  226.5905  255.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8671  225.3225  255.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6919  224.2159  255.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8851  224.4194  255.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2291  225.6861  254.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3798  222.8351  256.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1007  222.2982  255.7948 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9337  222.0680  254.1377 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.2014  221.5556  253.6642 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6920  221.3683  253.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7805  223.7248  253.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7905  224.2456  252.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6769  225.5502  252.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5499  226.3223  252.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5334  225.7818  253.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6451  224.4809  253.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3530  227.9456  251.9772 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.9642  226.1531  251.2381 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.9246  229.1722  254.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2588  222.7123  256.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
135.53357237,-89.00033437,-67.64326579,-87.06197696,3.67738828,60.72102758
61.63018715,39.54993541,113.75335824,195.10418714,225.85540033,254.96482175
0.35064095,1.27913038,2.08157627

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444579/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01098

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-9.38902

>  <SCORE.INTRA.DIHEDRAL>
-1.8105

>  <SCORE.INTRA.DIHEDRAL.0>
8.53173

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.48376

>  <SCORE.INTRA.VDW.0>
0.0180507

>  <SCORE.INTRA.norm>
-0.302871

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.161645

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000524

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  199.4891  187.7677  252.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1772  188.8326  253.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5299  188.6265  253.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0064  188.4227  254.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3781  188.2424  255.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2546  188.2427  254.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7664  188.4458  252.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4213  188.6338  252.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8918  188.4107  251.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0872  188.1199  252.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6889  188.0386  253.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6310  187.7777  254.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9720  187.6189  254.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3703  187.7123  253.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4055  187.9512  252.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7066  187.5653  252.7276 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8250  187.3660  253.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8257  187.3663  254.7611 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1279  187.1351  252.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9387  185.7340  251.6908 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.5442  188.5863  251.8291 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.0536  188.3695  255.8771 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1621  187.3250  256.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9377  187.4731  256.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7803  185.9327  256.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3830  185.4076  254.5707 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.0935  185.9635  257.3512 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.8800  187.6986  251.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2800  188.9307  256.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
-111.41756699,70.57896261,-2.75445551,-57.46844832,-126.14534739,-71.27644356
205.39131197,187.42299259,253.89591845,2.92421543,-0.12162202,2.12696711

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444580/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.32194

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.07806

>  <SCORE.INTRA.DIHEDRAL>
2.53584

>  <SCORE.INTRA.DIHEDRAL.0>
4.71498

>  <SCORE.INTRA.POLAR>
0.0232681

>  <SCORE.INTRA.POLAR.0>
-0.0232681

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.42509

>  <SCORE.INTRA.VDW.0>
-0.0516816

>  <SCORE.INTRA.norm>
-0.114002

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.30822

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  205.7288  203.0417  240.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8142  201.6524  240.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3824  200.9340  239.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9095  201.5968  238.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7751  202.9920  238.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1999  203.7124  239.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4703  200.9250  237.1788 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7742  200.5324  237.2373 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0674  199.4455  237.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1049  198.5287  238.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3608  197.4591  239.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6153  196.8726  239.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8110  197.4722  239.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1599  198.8830  239.3775 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.5517  199.1214  237.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1949  198.9878  236.9580 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0403  200.0125  240.4521 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0374  201.1217  240.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8490  202.3551  239.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6152  202.9238  239.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4043  202.7294  239.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1391  201.8087  240.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4258  202.2427  241.9919 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1343  201.3412  242.9720 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1676  200.8243  243.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1563  199.4533  244.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1907  198.8620  244.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2631  199.6341  245.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3045  200.9929  244.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2706  201.5771  244.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5965  200.3624  240.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7752  199.4920  241.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1245  201.3376  236.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.2607  201.4734  243.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 31  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-84.06906399,79.33252402,148.34432893,67.01291997,-137.81476543,209.15979068
200.55152285,240.44268110,2.10746334,0.77514284,-1.85359628

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444581/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.83858

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-4.56142

>  <SCORE.INTRA.DIHEDRAL>
0.981378

>  <SCORE.INTRA.DIHEDRAL.0>
2.96916

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.05211

>  <SCORE.INTRA.VDW.0>
-2.90106

>  <SCORE.INTRA.norm>
-0.142544

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.182456

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  189.8932  222.7114  254.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9961  223.6318  254.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2247  224.8236  255.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2276  225.7336  254.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1099  225.4145  253.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8886  224.1583  252.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8185  223.3187  253.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7067  223.6048  251.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2454  226.3300  253.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3533  226.6151  254.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3066  227.6011  253.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3634  228.1475  252.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3632  227.7657  251.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2764  226.9831  251.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1993  226.9188  251.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4761  228.2562  249.6511 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.4785  229.0806  251.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2056  228.0655  254.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7400  225.6132  255.6182 Br  0  0  0  0  0  0  0  0  0  0  0  0
  192.2955  227.0078  255.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4716  226.4548  251.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7860  227.9921  255.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <CHROM.1>
64.91039840,-28.92114258,4.91758421,194.51556856,226.38483178,253.07406860
2.22954972,0.56623841,1.92702528

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444582/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34462

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-1.05538

>  <SCORE.INTRA.DIHEDRAL>
1.29529

>  <SCORE.INTRA.DIHEDRAL.0>
3.93098

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.70302

>  <SCORE.INTRA.VDW.0>
-0.643651

>  <SCORE.INTRA.norm>
-0.0527689

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.267231

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 50  0  0  0  0  0  0  0  0999 V2000
  190.6472  204.5253  260.6287 B   0  0  0  0  0  0  0  0  0  0  0  0
  191.3586  205.8657  260.0216 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.8615  205.7489  260.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7692  204.7356  259.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3365  203.2629  259.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2822  202.8466  261.2002 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0028  201.4582  261.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1196  205.9685  258.5546 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3984  206.9556  257.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9006  207.8464  258.5737 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1155  206.9083  256.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6410  208.0120  255.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6105  207.6636  254.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0714  206.3734  254.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3731  205.8963  255.4992 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8583  204.6163  255.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7737  204.1814  256.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5388  203.6695  254.6439 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9965  204.2655  254.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5491  203.7012  252.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5177  202.6730  252.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9683  202.1280  251.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4252  202.5546  250.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4604  203.5458  250.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0509  204.1165  251.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3910  205.7561  254.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6994  206.1590  255.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8309  207.5058  256.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7009  208.5111  255.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4599  208.1657  254.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2944  206.8129  253.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5626  202.2851  255.2339 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3189  201.4874  255.3547 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.8604  201.0104  254.0341 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8197  200.2053  253.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5182  201.0251  252.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5669  201.6648  251.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8912  202.6273  252.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0754  201.9445  253.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5217  200.3953  256.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8702  203.6279  259.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8167  204.1840  262.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4579  205.1947  257.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9674  202.3721  256.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2631  199.8490  255.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3567  203.6259  258.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6839  203.7104  262.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  6  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 16  1  1  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 44  1  0  0  0  0
 33 34  1  0  0  0  0
 33 40  1  1  0  0  0
 34 39  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 45  1  0  0  0  0
 41 46  1  0  0  0  0
 42 47  1  0  0  0  0
M  END
>  <CHROM.1>
-126.47087495,36.62724112,-82.85751566,73.83089890,115.36650193,-60.42839377
-59.34546672,-174.59702123,-166.20514041,70.95575984,-161.92600087,73.01872830
-101.16478423,74.45111196,72.24480691,56.76249148,-58.56229283,191.76587777
204.26826895,255.84118209,2.03370465,1.42761602,0.82783698

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444583/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32484

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.461905

>  <SCORE.INTRA>
-12.0752

>  <SCORE.INTRA.DIHEDRAL>
0.474392

>  <SCORE.INTRA.DIHEDRAL.0>
9.12574

>  <SCORE.INTRA.POLAR>
-2.16525

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.95052

>  <SCORE.INTRA.VDW.0>
-8.91847

>  <SCORE.INTRA.norm>
-0.287504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.174401

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005520

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  215.3026  180.3072  253.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0483  179.5039  252.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7441  180.1392  251.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5156  179.3747  249.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5761  178.0312  249.9591 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8762  177.4317  251.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1161  178.1142  252.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1821  180.0561  248.7561 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9845  179.4737  247.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0721  178.2754  247.2746 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7104  180.4535  246.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0547  180.0729  245.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8773  180.9746  244.2230 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3616  182.2639  244.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0327  182.7382  245.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2688  181.8900  246.5092 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.7451  181.8911  246.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6812  181.1768  246.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0350  181.1682  246.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5192  181.8551  247.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5591  182.5593  248.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2004  182.5818  248.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8536  181.7648  248.0121 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7859  182.8549  247.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2818  180.8743  249.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5394  184.1394  245.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8576  184.7298  246.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6447  184.7979  243.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3450  184.5679  243.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0775  183.0752  242.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4569  178.7108  244.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1836  181.0558  248.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3844  180.6382  243.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 30  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
176.79274372,-156.81244602,54.96832049,102.93530049,215.32007142,181.16294541
247.42828648,1.28125143,0.43559919,2.18768392

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444584/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.97241

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-2.42759

>  <SCORE.INTRA.DIHEDRAL>
-0.684067

>  <SCORE.INTRA.DIHEDRAL.0>
4.22425

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.08556

>  <SCORE.INTRA.VDW.0>
-0.203846

>  <SCORE.INTRA.norm>
-0.0783094

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.224916

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000379

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  202.7290  193.8098  251.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2107  195.2288  251.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4000  196.0799  250.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0820  196.4487  249.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0873  197.0994  250.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8754  196.2537  251.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1996  195.9161  252.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6179  198.3812  250.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6704  199.3442  249.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1733  199.2346  248.7037 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4082  200.5917  250.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5228  201.4211  251.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2323  202.7658  250.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3424  203.5013  251.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7202  202.9094  252.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0088  201.5878  253.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9086  200.8563  252.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7921  200.2204  250.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9717  199.6567  252.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2377  199.2669  252.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3469  199.4168  251.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1898  199.9600  250.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9260  200.3661  250.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5652  195.1037  252.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
68.77240587,8.12824196,-76.54824335,-121.52006702,-79.06027357,202.53798726
198.88023360,251.16130579,1.26267113,-0.00324917,-3.04929379

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444585/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.42513

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-3.97487

>  <SCORE.INTRA.DIHEDRAL>
-6.38143

>  <SCORE.INTRA.DIHEDRAL.0>
9.66639

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.784157

>  <SCORE.INTRA.VDW.0>
-2.64918

>  <SCORE.INTRA.norm>
-0.16562

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.267714

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040959

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  206.1527  210.5354  242.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6417  210.6982  242.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0072  211.8580  243.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4662  213.2150  242.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4711  211.7973  243.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3290  211.6959  244.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0839  210.4676  245.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4101  210.2695  246.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0636  211.2685  247.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2539  212.5155  247.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8878  212.7275  245.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5394  211.1075  248.9059 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0001  209.8647  249.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7294  209.4665  250.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0905  208.1860  251.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7240  207.2881  250.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0416  207.7160  248.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7165  209.0097  248.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0532  205.9613  250.4996 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8287  205.3489  251.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3810  205.8753  252.7371 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2802  203.8875  251.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3313  203.2666  250.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1263  202.9926  249.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0715  202.9207  250.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2630  202.7546  248.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4022  201.8932  247.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4702  201.5906  246.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4126  202.1648  245.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2978  203.0489  246.2874 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2846  203.4256  247.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0553  204.2874  248.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5002  205.3920  249.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9969  203.5013  245.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
68.75698079,-50.82742090,32.71990674,-142.83661143,-0.94741499,-24.01420348
-72.26776961,-19.16553265,148.81756394,205.82623029,207.43839928,247.75798430
2.81402674,-1.34559548,0.70280329

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444594/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.7348

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-2.66515

>  <SCORE.INTRA.DIHEDRAL>
3.72674

>  <SCORE.INTRA.DIHEDRAL.0>
7.97637

>  <SCORE.INTRA.POLAR>
-0.998243

>  <SCORE.INTRA.POLAR.0>
-0.0235254

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13449

>  <SCORE.INTRA.VDW.0>
2.451

>  <SCORE.INTRA.norm>
-0.083286

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.366714

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000073

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  217.7606  184.9449  251.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9104  183.7479  252.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8173  182.5071  252.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6474  183.9327  253.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5355  183.4908  251.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4635  184.5798  251.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7612  185.8292  251.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0067  185.5563  249.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8839  184.3058  249.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6066  183.1247  250.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6425  185.3609  248.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8309  186.6566  248.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5626  187.7726  248.1735 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8326  188.0179  248.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7290  186.7809  248.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7783  187.5859  246.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4909  187.7195  245.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6122  187.0007  244.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5976  185.5008  244.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5814  184.8230  244.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8666  184.8437  245.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1197  185.4520  244.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2773  184.7922  245.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1736  183.5352  245.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9400  182.9231  246.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7844  183.5698  245.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2858  182.9067  246.3749 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-64.77600374,70.78967131,-157.34417527,71.83312276,96.32170237,-20.13417295
214.90109205,185.06887202,248.33420337,0.85415099,-0.89089030,1.23699481

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444595/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.31599

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.08401

>  <SCORE.INTRA.DIHEDRAL>
1.24522

>  <SCORE.INTRA.DIHEDRAL.0>
4.50184

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.70662

>  <SCORE.INTRA.VDW.0>
2.97378

>  <SCORE.INTRA.norm>
-0.114223

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.308

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 33  0  0  0  0  0  0  0  0999 V2000
  195.7443  206.9715  240.7775 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2397  206.4917  242.1544 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.0856  205.9051  242.9888 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.3768  204.7732  242.1956 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8026  205.3724  240.9122 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9368  205.8868  240.0144 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7707  204.7842  239.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9893  204.0119  238.2465 P   0  0  0  0  0  0  0  0  0  0  0  0
  196.3080  203.7983  237.5148 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6751  202.6943  239.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2080  203.2395  236.9102 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9890  204.4457  240.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2946  203.7107  241.8535 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5330  202.6875  243.2280 P   0  0  0  0  0  0  0  0  0  0  0  0
  195.7053  201.4730  242.3249 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9674  203.3788  243.5336 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7713  201.6643  244.6024 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5052  205.3601  244.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4312  204.9402  245.3492 P   0  0  0  0  0  0  0  0  0  0  0  0
  193.2376  204.1800  244.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3357  204.0922  246.3548 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1850  206.2714  246.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8322  207.5980  242.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9924  208.1885  240.9316 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5609  202.8957  240.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4162  203.8620  236.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2445  204.2438  240.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8886  204.2608  243.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7277  202.2013  245.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1291  204.5900  246.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0126  206.6899  246.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1604  207.2767  243.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2203  208.0740  241.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  1  0  0  0
  2  3  1  0  0  0  0
  2 23  1  1  0  0  0
  3  4  1  0  0  0  0
  3 18  1  1  0  0  0
  4  5  1  0  0  0  0
  4 13  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  6  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <CHROM.1>
-59.64048358,-178.76628768,169.19798032,79.47555469,62.43320495,-156.83915733
140.71339556,29.76751784,172.62214980,147.29993249,75.76114007,-172.30055858
44.53774891,51.88466893,-49.67512866,195.11137041,204.53197695,242.02755393
2.19376084,1.55812197,-2.26471429

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444596/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.78823

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-16.1882

>  <SCORE.INTRA.DIHEDRAL>
-2.6025

>  <SCORE.INTRA.DIHEDRAL.0>
14.3096

>  <SCORE.INTRA.POLAR>
-2.65425

>  <SCORE.INTRA.POLAR.0>
-0.0827427

>  <SCORE.INTRA.REPUL>
-0.423007

>  <SCORE.INTRA.REPUL.0>
0.423007

>  <SCORE.INTRA.VDW>
-3.7475

>  <SCORE.INTRA.VDW.0>
-2.0743

>  <SCORE.INTRA.norm>
-0.67451

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.19951

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066590

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  201.7087  194.2107  249.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4264  194.1356  248.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4328  193.7705  247.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7472  193.4978  248.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9680  193.4514  249.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9671  193.8303  250.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9132  193.6072  247.1425 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.2226  192.2573  246.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0818  191.6790  245.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8620  192.0564  244.5464 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1281  190.7171  246.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9964  190.3244  245.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0343  189.4906  246.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1915  189.0342  247.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3232  189.3951  248.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2925  190.2312  247.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0542  194.8472  246.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2159  195.2581  245.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4523  196.4433  245.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3006  196.9265  246.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0819  197.4135  247.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8915  197.5812  248.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9215  197.3054  249.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1771  196.9255  248.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3365  196.7574  247.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4759  196.0000  247.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6227  196.1874  247.4226 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4262  194.8360  243.9663 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5398  193.8669  244.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  6  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-93.27423269,61.13528383,-65.79484748,81.75745538,173.04017028,49.44939827
203.43151585,193.87861876,247.20771533,1.16547501,1.01014735,0.47144010

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444597/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.86166

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-8.53834

>  <SCORE.INTRA.DIHEDRAL>
-1.77302

>  <SCORE.INTRA.DIHEDRAL.0>
8.74834

>  <SCORE.INTRA.POLAR>
-0.9971

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.26168

>  <SCORE.INTRA.VDW.0>
-3.06895

>  <SCORE.INTRA.norm>
-0.304941

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.066488

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005789

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  216.7285  180.7354  247.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9410  180.2866  246.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1972  180.2067  247.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4756  181.5243  248.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2481  181.9780  249.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9943  182.0533  248.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6419  181.3696  249.4045 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4066  182.4668  249.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9555  183.3311  250.5187 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6768  182.5255  249.1818 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2047  181.5892  248.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1758  182.1488  246.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5173  182.5599  246.2455 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.4672  183.6195  249.5825 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.6434  183.5629  249.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5429  180.6608  250.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
155.00386143,68.88832420,102.09438943,170.56146164,-59.74425550,220.79492096
182.06533547,248.32305710,-2.94861028,0.27929443,1.29163720

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444598/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.18144

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-2.21856

>  <SCORE.INTRA.DIHEDRAL>
-0.474708

>  <SCORE.INTRA.DIHEDRAL.0>
2.76069

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.98121

>  <SCORE.INTRA.VDW.0>
0.308607

>  <SCORE.INTRA.norm>
-0.147904

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.545429

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001886

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  218.6952  178.6055  248.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6822  179.5950  248.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9535  179.2708  247.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5542  180.4208  247.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6386  181.4614  247.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4759  180.9569  247.7679 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2934  181.7052  248.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9267  182.8240  247.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7916  183.6005  247.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9726  183.1898  248.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3053  182.0555  249.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4741  181.3379  249.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5339  184.0387  249.1240 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.4990  184.8316  246.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2901  184.7662  246.1949 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.4526  185.9687  247.5736 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.4057  185.0473  245.8382 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.8628  182.9026  246.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8843  180.5150  246.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2435  181.6435  245.8985 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.5653  181.6546  245.3487 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1024  182.9957  244.4594 S   0  0  0  0  0  0  0  0  0  0  0  0
  226.2383  183.5265  245.1857 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.2061  182.6432  243.0599 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7531  184.1345  244.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6673  184.0724  243.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5775  184.9235  243.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5715  185.8162  245.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6495  185.8730  245.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7395  185.0175  245.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0824  186.9573  245.2896 Br  0  0  0  0  0  0  0  0  0  0  0  0
  225.1986  180.8539  245.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
175.60860183,-151.11376588,119.42545568,173.32688704,118.44393522,-86.52959889
220.13352543,183.57382639,246.40785217,-3.03647346,0.37545262,-0.38255554

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444599/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.195

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-1.20503

>  <SCORE.INTRA.DIHEDRAL>
-1.50768

>  <SCORE.INTRA.DIHEDRAL.0>
7.56258

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.451188

>  <SCORE.INTRA.VDW.0>
-1.86767

>  <SCORE.INTRA.norm>
-0.0388719

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.32887

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  197.3741  222.0601  251.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8785  223.0240  252.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6554  222.9025  253.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9189  221.8251  253.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3416  220.8796  253.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6130  221.0012  251.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5066  219.7807  253.4081 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6288  219.6924  254.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4028  220.5543  255.3142 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7942  218.4231  254.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7026  217.2093  254.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3027  217.1439  256.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5800  218.3650  256.3092 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.9765  221.6820  255.6594 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.3361  219.1243  252.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
30.18949110,66.59838266,67.90601414,-73.10716856,196.14507781,220.21996302
254.39325678,0.90269494,-0.93714521,-1.17482252

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444600/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.95942

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-1.44058

>  <SCORE.INTRA.DIHEDRAL>
-0.524724

>  <SCORE.INTRA.DIHEDRAL.0>
4.31573

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.17821

>  <SCORE.INTRA.VDW.0>
-0.539212

>  <SCORE.INTRA.norm>
-0.102898

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.56853

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000132

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  197.2647  219.0157  243.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6354  217.7527  242.9102 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7736  217.6467  241.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8488  216.5645  243.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8160  215.8392  244.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0039  214.8128  245.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1703  214.0353  245.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1913  214.5711  244.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0491  215.8425  243.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2638  212.7462  246.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2133  211.6988  246.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7971  211.8486  245.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5735  210.7863  244.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1403  210.6851  245.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1237  211.4490  244.7874 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.3345  211.4712  245.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1801  212.4451  243.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6568  213.6828  244.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0287  214.7736  243.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8318  214.5898  242.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3095  213.3333  241.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9747  212.2473  242.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0694  209.9105  246.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9563  209.0012  246.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4110  208.5216  247.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0705  208.9408  248.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2952  209.8643  248.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9015  210.4489  247.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6014  212.9492  247.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9585  212.1027  248.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1643  212.2373  249.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1105  213.2428  249.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7375  214.0910  248.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5249  213.9726  247.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3110  213.3545  249.8041 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6767  212.5066  250.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2730  214.4479  249.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CHROM.1>
119.63570257,44.39167349,177.99185127,-6.48404692,196.58472870,213.17474558
245.84070217,-2.86443459,0.51984333,2.45018229

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444601/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.92173

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.261111

>  <SCORE.INTRA>
-4.47827

>  <SCORE.INTRA.DIHEDRAL>
-7.70654

>  <SCORE.INTRA.DIHEDRAL.0>
14.5094

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.625003

>  <SCORE.INTRA.VDW.0>
-0.355858

>  <SCORE.INTRA.norm>
-0.124396

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.136715

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 50  0  0  0  0  0  0  0  0999 V2000
  193.5219  220.6495  254.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9982  221.3332  255.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9490  221.1850  256.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3150  220.6710  255.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2844  222.7682  255.0874 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3407  223.6950  254.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5114  224.4091  255.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5032  224.3648  256.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4384  224.8352  257.5761 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2809  223.6995  257.5430 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.9802  224.1958  256.8603 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.6992  223.5180  257.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8190  222.7188  258.6777 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.7737  221.2011  258.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9174  220.5299  259.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0477  220.8425  260.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4456  220.0226  261.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4392  219.3269  262.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1371  219.3529  261.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9053  219.8327  260.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0202  218.9643  262.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8143  219.6594  263.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6991  219.9721  262.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6380  219.1516  261.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4468  222.2576  260.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9724  223.0811  259.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1058  223.8689  259.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8600  224.4734  259.7852 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9143  222.7545  261.7344 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0472  224.0693  255.3195 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.2456  224.8968  254.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1627  225.9427  254.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3020  222.6557  255.0098 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5613  221.9516  254.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3159  222.3250  253.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6258  221.3983  252.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3583  221.6976  252.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7756  222.9359  252.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4960  223.8732  253.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7777  223.6087  253.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0914  220.2755  254.0711 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.1626  223.7141  253.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1009  222.8214  254.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1910  222.0031  262.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7722  220.2509  255.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8422  223.1074  252.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  2  0  0  0  0
  6 42  1  0  0  0  0
  7 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  6  0  0  0
 10 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 30  1  0  0  0  0
 13 12  1  6  0  0  0
 13 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  1  0  0  0
 31 32  2  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 41  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 41 45  1  0  0  0  0
 42 46  1  0  0  0  0
M  END
>  <CHROM.1>
61.99018364,86.59025997,-5.78471608,-82.66624661,56.94590050,20.16628220
124.75278409,-179.15475844,23.27248990,190.41598985,222.13516057,257.22803596
-1.43310408,0.21611388,1.87441838

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444602/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.28981

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.295238

>  <SCORE.INTRA>
-6.11019

>  <SCORE.INTRA.DIHEDRAL>
-1.43115

>  <SCORE.INTRA.DIHEDRAL.0>
12.3997

>  <SCORE.INTRA.POLAR>
-0.818359

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.6122

>  <SCORE.INTRA.VDW.0>
1.54095

>  <SCORE.INTRA.norm>
-0.145481

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.149757

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014376

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  222.9737  179.9962  246.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4289  179.6497  245.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2262  180.2265  245.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5667  181.1322  246.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0884  181.4866  247.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3035  180.9043  247.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8321  181.2462  248.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3734  181.5996  245.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2361  180.9868  244.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2515  181.1129  243.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1001  181.9735  243.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1474  182.0606  242.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2499  181.2823  241.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3828  181.3593  240.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4316  180.4093  241.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3740  180.3325  242.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4857  179.5053  242.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4689  179.4208  243.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3707  180.1252  244.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5364  178.5904  242.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6707  180.7697  249.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3542  178.2125  241.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 19  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-0.00354631,-0.03624043,219.66643139,180.65138522,244.29114323,-0.63875895
0.51416192,-2.08517086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444603/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.27

>  <SCORE.INTRA>
-9.32543e-07

>  <SCORE.INTRA.DIHEDRAL>
-1.82641e-06

>  <SCORE.INTRA.DIHEDRAL.0>
3.54207e-06

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.93365e-08

>  <SCORE.INTRA.VDW.0>
0.202748

>  <SCORE.INTRA.norm>
-4.66271e-08

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.27

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001398

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  197.7133  205.0689  247.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4998  203.5254  248.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9505  203.2377  246.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2007  204.2807  245.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8911  205.4279  246.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6882  204.0337  244.2623 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.0583  202.4969  244.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2404  202.1805  246.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7482  200.9278  246.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0801  200.1854  245.5449 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9968  200.5977  244.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4858  201.7239  243.7688 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0212  200.2816  248.0678 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6694  199.4026  248.0580 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7858  198.1279  247.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9020  197.8869  246.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0821  196.7903  245.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1570  195.9251  245.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9878  196.0992  246.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7543  197.1513  247.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8855  200.3389  248.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0930  201.1338  248.9546 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7116  200.2485  246.9251 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4070  200.8593  245.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8486  202.1366  245.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5286  202.6169  244.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7854  201.8434  243.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3647  200.5748  243.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6843  200.0894  244.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4502  202.4333  241.5624 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.7453  203.0076  246.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5316  202.9757  247.5183 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.0552  202.6377  246.0307 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.7023  204.3176  245.8069 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.2668  199.4106  246.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <CHROM.1>
-86.43106699,-67.49962841,22.48539848,61.61429129,79.66265068,92.87467360
-37.84959826,198.05097123,201.39177590,245.80730662,-1.28937880,0.96536413
2.65143426

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444604/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.55831

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-6.84169

>  <SCORE.INTRA.DIHEDRAL>
-0.153456

>  <SCORE.INTRA.DIHEDRAL.0>
6.09785

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.76496

>  <SCORE.INTRA.VDW.0>
-6.26813

>  <SCORE.INTRA.norm>
-0.201226

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.16348

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  196.7407  211.0770  259.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1396  212.4078  260.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6204  212.5504  261.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0490  213.7540  262.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9772  214.8390  261.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4854  214.7114  259.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0639  213.5080  259.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5360  213.4796  258.1918 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4231  215.7705  259.0403 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5427  213.9088  263.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8966  212.6113  257.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8221  215.5084  258.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6578  213.0777  263.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-0.10652002,179.82176360,1.31998526,195.66548402,213.61747132,260.47765171
-0.67239978,-1.10400060,2.36561920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444605/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.25674

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.54

>  <SCORE.INTRA>
-1.14326

>  <SCORE.INTRA.DIHEDRAL>
-0.0038226

>  <SCORE.INTRA.DIHEDRAL.0>
0.00635702

>  <SCORE.INTRA.POLAR>
-0.262894

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.24751

>  <SCORE.INTRA.VDW.0>
1.22337

>  <SCORE.INTRA.norm>
-0.114326

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.425674

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001412

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  192.4450  226.5970  254.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3567  226.6609  253.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6828  225.3555  252.7237 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7626  224.5598  253.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7026  223.5775  252.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7291  222.6204  251.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7894  222.6735  252.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7897  223.6397  253.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7775  224.6083  253.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9975  221.8331  252.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0663  221.0545  251.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0019  222.1571  253.4652 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2606  221.4883  253.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9468  221.6368  251.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7511  220.5297  251.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4320  220.4770  250.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3392  221.5422  249.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5175  222.6183  249.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7964  222.6737  250.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9660  223.7583  250.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8868  224.6081  252.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8569  225.6860  251.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5881  223.7733  251.2599 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9643  224.8595  251.6986 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-92.69562526,-3.73126946,-174.82190668,58.41234193,-150.85820391,50.54310500
-178.47232464,197.65774332,223.32999782,252.13149219,-2.73252327,-0.27395668
3.09068134

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444606/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24917

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-5.15083

>  <SCORE.INTRA.DIHEDRAL>
-7.28027

>  <SCORE.INTRA.DIHEDRAL.0>
12.7143

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.5107

>  <SCORE.INTRA.VDW.0>
-0.813007

>  <SCORE.INTRA.norm>
-0.214618

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.302049

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000360

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  212.1248  176.7603  248.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2765  177.9480  249.4400 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0007  177.8929  250.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1367  178.9603  251.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5645  180.2347  251.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7034  181.2153  251.8582 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8354  180.2429  249.9386 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6572  179.1416  249.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9802  179.2403  248.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1918  181.4751  249.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9097  178.5030  252.4860 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1804  177.1550  252.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6580  176.8047  251.0714 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8948  176.3016  253.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4925  176.6500  254.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3563  175.5186  255.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7824  174.1760  254.9071 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9856  173.8663  253.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0706  174.9110  252.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2308  174.0791  254.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1298  174.0578  255.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8170  172.9575  256.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4786  179.3710  253.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6738  179.4879  254.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2981  179.7803  254.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4903  179.8536  255.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0494  179.6471  257.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4116  179.3932  257.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2189  179.3151  256.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0541  179.6919  258.4968 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.4305  173.0202  257.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
96.15138952,1.35179311,74.00414128,59.40389229,179.79802913,-49.86407029
213.59528130,177.85579542,253.38517853,-2.45928265,-0.90338407,1.44573120

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444607/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.690162

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-11.0902

>  <SCORE.INTRA.DIHEDRAL>
-22.2113

>  <SCORE.INTRA.DIHEDRAL.0>
24.9759

>  <SCORE.INTRA.POLAR>
0.0490454

>  <SCORE.INTRA.POLAR.0>
-0.0490454

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.15125

>  <SCORE.INTRA.VDW.0>
-1.3993

>  <SCORE.INTRA.norm>
-0.369672

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.0230054

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002222

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  201.7098  200.2810  239.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8296  200.5667  240.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6313  201.3701  241.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5462  201.3674  240.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4022  201.5106  241.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1598  200.9075  240.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0721  201.1499  241.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2158  201.9844  242.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4518  202.5628  243.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5368  202.3312  242.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3381  199.2923  241.2576 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5154  198.4468  240.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7137  197.4317  241.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1810  197.7183  242.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5719  196.7215  243.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4240  195.4398  242.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9072  195.1500  241.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5555  196.1346  240.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1153  197.0765  244.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5070  196.2104  245.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2660  198.9914  242.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7665  199.5323  242.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8322  198.9808  243.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
167.42063116,-60.39832494,-113.55007185,-162.13623361,35.22716963,179.37158889
-131.17301762,198.53926746,199.16512916,241.96805124,-1.16738105,-0.70784762
3.05678637

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444608/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.97485

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-3.42515

>  <SCORE.INTRA.DIHEDRAL>
1.55534

>  <SCORE.INTRA.DIHEDRAL.0>
3.5899

>  <SCORE.INTRA.POLAR>
-0.259604

>  <SCORE.INTRA.POLAR.0>
-0.858302

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.32017

>  <SCORE.INTRA.VDW.0>
4.11017

>  <SCORE.INTRA.norm>
-0.163102

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.379755

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000239

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  221.1867  187.3500  257.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3868  186.5005  257.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6891  186.9155  257.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7670  186.0327  257.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5650  184.7814  256.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2819  184.4273  256.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1982  185.2640  256.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6534  183.9601  256.8417 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.7587  184.6031  257.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4578  186.2102  257.7840 S   0  0  0  0  0  0  0  0  0  0  0  0
  228.0425  184.1809  257.1095 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.4278  183.0192  256.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5704  181.9335  256.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7134  180.5649  256.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8776  179.5954  255.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8600  179.9926  254.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7265  181.3283  254.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6062  182.2807  255.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9493  179.0467  254.3447 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.9692  178.1688  255.3964 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.8966  177.6268  254.5846 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7753  177.2891  256.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2347  179.4069  256.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0536  180.1820  257.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4975  181.2225  258.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1378  181.5256  257.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3374  180.7720  257.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8728  179.6861  256.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4007  182.8167  258.7760 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.5455  182.1137  259.0634 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  229.6039  182.5996  256.6261 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.3197  178.4539  253.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
2.47558911,-136.56411391,61.63562752,162.62872448,-63.34512448,224.60193823
182.25320190,256.84057508,1.58824158,0.19696475,0.28279184

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444609/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.65617

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-4.74383

>  <SCORE.INTRA.DIHEDRAL>
-6.06333

>  <SCORE.INTRA.DIHEDRAL.0>
14.2852

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71216

>  <SCORE.INTRA.VDW.0>
-4.34252

>  <SCORE.INTRA.norm>
-0.153027

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.182457

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  186.3546  214.0196  254.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7452  214.5019  255.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0735  214.8442  255.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0129  214.7315  254.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6240  214.2637  253.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2891  213.8887  253.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8332  213.4244  251.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6223  214.0262  250.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9193  213.5552  250.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6518  214.0647  249.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1148  215.0812  248.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8625  215.6082  248.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1265  215.0962  249.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9999  215.6891  246.9994 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.9089  211.9443  251.6313 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8803  211.0742  251.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3301  209.8094  251.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6364  209.9376  252.0026 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.9835  211.2297  251.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5365  208.8135  252.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6673  208.4339  253.8148 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.1558  209.5763  254.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3565  210.6468  255.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9146  211.7287  255.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2675  211.7334  256.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0632  210.6506  255.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5136  209.5830  255.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9616  213.0770  256.9884 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.6511  210.7020  254.9031 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.4584  207.8511  254.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6940  207.0400  255.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1416  207.8208  256.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4496  207.6632  257.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8695  208.3513  258.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9847  209.2186  258.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6967  209.4063  258.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2784  208.7147  257.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4827  210.0511  260.3968 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.5912  206.6055  256.4473 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.5601  215.4302  257.1054 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
147.24088484,75.83115808,126.26909168,-98.99941812,-58.13713490,77.51452185
157.29555404,67.12746272,-112.34249185,188.59394467,211.55699831,254.31125152
-2.14327109,1.42570955,2.74144926

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444626/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.54448

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.36

>  <SCORE.INTRA>
-7.85552

>  <SCORE.INTRA.DIHEDRAL>
0.5346

>  <SCORE.INTRA.DIHEDRAL.0>
9.4271

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.12282

>  <SCORE.INTRA.VDW.0>
-4.79052

>  <SCORE.INTRA.norm>
-0.196388

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.163612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001416

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 38  0  0  0  0  0  0  0  0999 V2000
  196.7111  198.4819  248.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4045  198.7130  249.7502 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4824  199.5530  249.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7413  200.2399  250.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8735  201.0531  251.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8137  201.1672  249.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5006  200.5218  248.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3517  199.7162  248.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2055  201.7667  250.3010 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.7852  202.8163  249.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2174  202.3778  248.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6918  203.3919  247.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8099  203.1341  245.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2583  204.1325  244.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5984  205.3931  245.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4360  205.6780  246.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9612  204.6895  247.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7148  205.0650  248.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6736  203.9450  249.8461 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5119  204.4237  251.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4599  204.1296  252.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2182  204.4841  253.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0386  205.1345  253.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0953  205.4600  252.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3326  205.1078  251.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8002  205.4441  255.2177 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.5341  201.0270  247.9576 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7107  200.2435  249.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4306  199.1760  249.2862 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2787  198.9826  250.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5359  199.8913  251.2864 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1362  200.6406  250.2432 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1752  200.8343  247.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  6  0  0  0
  9 32  1  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  1  0  0  0  0
 27 33  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
151.28046520,-134.88329811,106.99710931,202.38072338,202.36257317,249.77924865
-2.78837928,0.81348466,1.24538182

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444627/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.21495

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2625

>  <SCORE.INTRA>
-0.185053

>  <SCORE.INTRA.DIHEDRAL>
0.714198

>  <SCORE.INTRA.DIHEDRAL.0>
2.09929

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.542152

>  <SCORE.INTRA.VDW.0>
-0.864896

>  <SCORE.INTRA.norm>
-0.00578291

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.256717

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000027

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  193.4401  216.7108  261.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3008  216.9248  261.8576 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6916  218.1532  261.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4539  218.8596  260.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6566  220.0363  260.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2385  220.5765  261.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5000  219.9194  262.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1828  218.6748  263.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2160  218.0787  264.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3113  217.3226  264.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9488  220.5875  264.0686 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8133  220.9388  265.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2239  220.6007  259.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5804  221.7727  259.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9585  222.2630  258.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0949  223.1287  258.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4321  221.7056  256.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1292  222.3880  255.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7386  222.0097  254.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6202  220.9042  254.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8456  220.1704  255.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2692  220.5970  256.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5515  219.9364  258.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2347  220.6980  253.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1848  219.6697  253.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5256  222.8775  253.3952 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0728  222.3364  252.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2677  223.4609  255.6085 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2833  223.8659  254.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 23  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
43.07349660,-174.17038066,-125.50246135,38.46756051,172.61672465,-129.75378141
177.75442245,190.49064469,220.39807922,258.78095897,-1.30853663,0.91179716
-1.45175523

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444628/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.5659

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-3.8341

>  <SCORE.INTRA.DIHEDRAL>
5.41311

>  <SCORE.INTRA.DIHEDRAL.0>
4.93358

>  <SCORE.INTRA.POLAR>
-0.243196

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.71379

>  <SCORE.INTRA.VDW.0>
8.5736

>  <SCORE.INTRA.norm>
-0.136932

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.270211

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001796

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  207.2515  198.4905  249.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2205  197.6502  249.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0400  196.4141  249.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8795  195.9946  250.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9183  196.8319  251.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1039  198.0790  250.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3683  199.1623  250.9124 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.9374  196.2762  252.3441 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.0221  195.5968  249.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3511  197.9937  248.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5681  196.0864  248.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.5915  198.8744  247.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
0.06204432,-0.03007092,207.53546413,197.35444466,250.39167359,-2.96562975
0.65353872,2.57863718

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444629/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3997

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.54

>  <SCORE.INTRA>
-0.000297295

>  <SCORE.INTRA.DIHEDRAL>
-0.000608009

>  <SCORE.INTRA.DIHEDRAL.0>
0.00063392

>  <SCORE.INTRA.POLAR>
-1.88442e-05

>  <SCORE.INTRA.POLAR.0>
-0.335498

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
7.07799e-05

>  <SCORE.INTRA.VDW.0>
0.577016

>  <SCORE.INTRA.norm>
-2.97295e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.53997

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001961

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  183.9881  208.9873  255.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4206  210.1534  255.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0548  210.4059  255.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2871  209.5554  256.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8530  208.4043  256.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1979  208.1098  256.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7854  206.8677  257.1395 N   0  3  0  0  0  0  0  0  0  0  0  0
  184.9667  206.6275  256.8568 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.0626  206.1292  257.8247 O   0  5  0  0  0  0  0  0  0  0  0  0
  181.3626  211.4441  254.9312 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.8653  212.0429  253.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8863  213.4469  253.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3900  214.1346  252.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8846  213.4185  251.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8254  212.0286  251.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2738  211.3426  252.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0757  209.6334  252.4594 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  183.5455  214.2557  250.2277 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  181.2803  214.3820  255.0899 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <CHROM.1>
21.57421866,-133.03171779,182.58460566,210.95544614,254.23733253,-1.37856486
1.09072508,-0.83029469

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444630/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.38264

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.0173571

>  <SCORE.INTRA.DIHEDRAL>
-0.209009

>  <SCORE.INTRA.DIHEDRAL.0>
3.62247

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0871477

>  <SCORE.INTRA.VDW.0>
-1.34174

>  <SCORE.INTRA.norm>
-0.000913531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.38856

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  202.6707  217.6397  257.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2877  219.0923  257.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8458  219.3261  257.1009 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3555  220.6043  257.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2640  220.7010  259.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5464  219.1247  255.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1455  218.5831  255.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9306  217.2549  255.8231 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8658  217.1371  257.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6312  217.8143  257.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4038  217.7411  257.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2789  218.3970  257.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3656  219.1261  258.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5685  219.1794  259.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6925  218.5201  259.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9541  215.6697  257.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0125  214.7285  257.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0965  213.3957  257.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1241  212.9925  258.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0656  213.9151  258.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9796  215.2494  258.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
145.82472068,-72.10949473,148.50354975,-64.91081531,67.70394846,67.51516057
38.53517497,-59.55799563,198.98040503,217.49918711,257.64643534,-1.27524725
-0.17613820,3.10401645

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444631/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.5663

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.638095

>  <SCORE.INTRA>
-3.8337

>  <SCORE.INTRA.DIHEDRAL>
3.0752

>  <SCORE.INTRA.DIHEDRAL.0>
1.7047

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.3713

>  <SCORE.INTRA.VDW.0>
2.3707

>  <SCORE.INTRA.norm>
-0.182557

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.455538

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027579

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 18  0  0  0  0  0  0  0  0999 V2000
  216.8512  195.4692  248.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8771  193.9937  248.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8796  193.1569  249.3991 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.4539  192.9621  250.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8064  194.1276  251.8633 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.0442  195.3844  251.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7434  195.8211  250.1686 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1521  195.1189  250.2137 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.2354  194.6429  251.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2719  193.8107  249.3813 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.8976  193.9691  248.0563 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3176  192.6379  247.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8658  192.6507  246.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8849  193.1216  245.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7168  194.5714  248.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3197  193.0929  244.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-71.68277772,174.58651519,-60.46197673,-179.93668051,218.63003504,194.04114178
249.15841163,2.08835638,-0.44403450,1.45937485

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444632/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.90042

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.499581

>  <SCORE.INTRA.DIHEDRAL>
-0.507259

>  <SCORE.INTRA.DIHEDRAL.0>
0.789108

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.245952

>  <SCORE.INTRA.VDW.0>
-0.631419

>  <SCORE.INTRA.norm>
-0.0356844

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.564316

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001279

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  191.4721  214.5501  257.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4527  215.7568  256.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0059  215.4430  255.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8146  216.7395  254.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2538  216.4993  252.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0820  214.5372  254.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1721  215.0108  254.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8303  213.1780  254.3458 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8784  212.2862  253.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1762  211.1347  254.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9306  210.4564  255.2264 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8759  211.3458  255.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5953  212.4676  254.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7366  209.0990  255.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7342  208.2788  254.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5717  206.8944  254.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3974  206.2740  254.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3616  207.0751  255.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5379  208.4666  255.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2013  204.8795  254.7395 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1267  203.9409  254.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2792  204.1962  253.9394 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6639  202.4791  254.3412 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.5865  201.9133  255.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4203  200.8439  256.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3367  200.2825  257.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4257  200.7840  258.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6062  201.8554  257.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6874  202.4180  256.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0962  202.2765  253.4969 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.3285  204.5189  255.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  1  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
171.71226478,-174.84367591,-73.76045249,2.01037793,0.85785558,-72.24516401
-116.53041494,191.54193267,208.22578738,255.09153561,1.07885517,1.54399718
0.42457565

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444633/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4332

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-1.96685

>  <SCORE.INTRA.DIHEDRAL>
-2.70768

>  <SCORE.INTRA.DIHEDRAL.0>
8.28055

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.613006

>  <SCORE.INTRA.VDW.0>
-0.882355

>  <SCORE.INTRA.norm>
-0.0655616

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.347772

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  200.9117  212.5965  253.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3755  212.9388  254.0521 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5599  214.1307  255.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5123  213.9588  256.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8182  215.4013  254.4720 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4836  215.7276  253.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1920  216.5375  255.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3297  216.1218  256.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6703  217.2081  257.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4496  217.6693  258.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3023  218.0815  257.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9747  216.9879  256.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6070  217.7402  254.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8911  218.7091  254.0444 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1993  211.5234  254.7762 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <CHROM.1>
82.36273619,49.76642382,202.95817889,215.27030679,255.35642629,2.29307177
1.32613408,2.77776477

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444634/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.02677

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.37323

>  <SCORE.INTRA.DIHEDRAL>
0.959031

>  <SCORE.INTRA.DIHEDRAL.0>
1.9332

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.852745

>  <SCORE.INTRA.VDW.0>
2.37674

>  <SCORE.INTRA.norm>
-0.024882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.468451

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008193

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  194.5712  208.1582  255.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8114  208.0228  256.7812 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1439  209.5334  257.3187 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.1404  207.0117  255.2309 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8053  209.3845  255.1311 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5643  209.3047  254.1368 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7979  210.5322  253.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5608  210.6681  252.4892 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2320  209.1586  251.9538 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.2252  211.6777  254.0347 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7198  207.1822  254.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4800  206.2499  255.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8823  212.4428  254.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6508  211.5093  254.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.73779025,179.73359922,-179.89797781,132.77087292,195.18585104,209.34539655
254.63491968,-2.82795021,0.91835781,-0.20305007

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444636/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.23745

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-5.16255

>  <SCORE.INTRA.DIHEDRAL>
-9.71111

>  <SCORE.INTRA.DIHEDRAL.0>
10.6739

>  <SCORE.INTRA.POLAR>
-0.130829

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.137825

>  <SCORE.INTRA.VDW.0>
-0.50258

>  <SCORE.INTRA.norm>
-0.516255

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.423745

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  202.9139  218.7024  266.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7324  218.2549  267.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3824  216.8959  267.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2858  216.4284  267.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5237  217.3489  268.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8653  218.7078  268.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9660  219.1572  267.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8836  215.0765  267.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4564  214.0349  267.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5165  214.0532  266.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6162  212.9247  267.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0761  211.8083  266.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2408  210.6000  267.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6178  209.4584  266.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8139  209.4979  265.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6273  210.7384  264.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2555  211.8790  265.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1670  208.2918  264.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3559  207.0392  264.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7567  205.9113  264.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9572  206.0038  262.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7564  207.2210  262.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3709  208.3515  262.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0435  214.8375  268.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-1.27402419,177.63349924,123.68880047,-1.49792009,200.87609948,212.60378961
266.07695398,-1.64557418,-0.89325815,-2.84430127

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444637/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.41038

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-1.98962

>  <SCORE.INTRA.DIHEDRAL>
-4.91869

>  <SCORE.INTRA.DIHEDRAL.0>
8.49671

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.469724

>  <SCORE.INTRA.VDW.0>
-0.333101

>  <SCORE.INTRA.norm>
-0.0865053

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.32219

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001411

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  220.2809  181.8056  249.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4572  181.0055  250.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1946  179.6888  250.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7496  179.1634  248.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5983  179.9655  248.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8552  181.2850  248.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4075  177.7630  248.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7956  177.0070  249.4661 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4413  175.7256  249.1092 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7423  175.1488  247.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3908  174.0188  247.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4442  175.9198  247.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7302  177.2372  247.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1732  177.9465  246.3187 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6990  174.9584  250.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5467  174.0647  250.8319 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6192  174.6838  251.5697 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1152  175.5712  252.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2817  174.8091  253.6632 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0922  175.1614  253.7400 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.0040  175.4974  253.8146 N   0  5  0  0  0  0  0  0  0  0  0  0
  220.4816  173.5354  252.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6583  172.5705  252.7841 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5946  175.5426  246.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1381  173.0778  253.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
>  <CHROM.1>
-11.13478642,-98.94567584,59.83175872,65.91729912,57.73064399,-49.82867842
-115.73820326,-53.60469749,219.09969794,176.57981901,250.06416816,0.27455287
1.33113982,0.65314616

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444638/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.77081

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-2.62919

>  <SCORE.INTRA.DIHEDRAL>
-1.77404

>  <SCORE.INTRA.DIHEDRAL.0>
5.16769

>  <SCORE.INTRA.POLAR>
-0.71173

>  <SCORE.INTRA.POLAR.0>
-0.105838

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.677711

>  <SCORE.INTRA.VDW.0>
-1.5124

>  <SCORE.INTRA.norm>
-0.114313

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.424818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007092

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 44  0  0  0  0  0  0  0  0999 V2000
  200.9072  219.1562  257.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4481  218.7420  255.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4026  218.7941  254.5314 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.8346  220.2199  254.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8986  221.2518  253.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0848  218.2762  253.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1010  218.1591  252.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7841  217.8398  250.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7913  217.2754  249.8671 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2955  216.0007  249.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9090  214.9575  249.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4412  213.5949  249.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0429  212.6432  249.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1437  213.3835  250.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5133  214.4360  250.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0791  215.7938  250.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5633  216.6808  251.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6825  212.0671  250.3831 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9378  211.1871  251.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4050  210.7354  251.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9741  210.7762  253.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4308  210.2599  253.1312 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.8746  210.3514  254.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0148  209.5609  255.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5610  208.7911  252.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9732  208.2251  252.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3865  211.1382  252.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4637  212.6225  252.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7575  213.5641  251.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8866  214.9336  252.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7245  215.3623  253.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4405  214.4401  253.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3200  213.0790  253.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1823  217.8346  254.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4777  216.3558  254.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3527  215.8042  255.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7063  214.4550  255.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1888  213.6395  254.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3050  214.1640  253.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9535  215.5126  253.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7037  217.6892  248.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7173  212.0262  250.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  CHG  2   3   1  22   1
M  END
>  <CHROM.1>
59.92770178,60.73989884,174.50851953,-67.35672024,172.13662951,159.29600688
-74.16727920,-87.33720647,95.47415412,-72.03157911,137.08833313,177.04539543
-179.79252613,58.81301948,179.16877472,59.98436069,-100.30403720,65.20620187
200.37929639,214.55237912,252.79268254,-1.72926310,1.03318355,-2.83454265

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444639/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.7799

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.585

>  <SCORE.INTRA>
-4.62006

>  <SCORE.INTRA.DIHEDRAL>
5.67177

>  <SCORE.INTRA.DIHEDRAL.0>
5.12137

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.45594

>  <SCORE.INTRA.VDW.0>
5.05464

>  <SCORE.INTRA.norm>
-0.115501

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.469499

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  222.9289  182.5132  245.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0970  182.7472  244.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7824  184.2277  243.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9439  184.4168  242.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6645  185.8039  242.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8712  186.0727  241.3742 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.4105  185.6751  241.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9440  187.5782  241.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3592  188.0487  240.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3857  189.5410  240.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.83903262,-179.82930771,-179.73507067,74.53740878,63.16159424,179.85830164
220.94182061,185.66670836,242.42146966,-1.29345537,-0.34245297,-0.54417607

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444640/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1066

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-0.293354

>  <SCORE.INTRA.DIHEDRAL>
0.516771

>  <SCORE.INTRA.DIHEDRAL.0>
0.524901

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.55174

>  <SCORE.INTRA.VDW.0>
0.687391

>  <SCORE.INTRA.norm>
-0.0293354

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.11066

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.098365

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 35  0  0  0  0  0  0  0  0999 V2000
  211.9904  194.5427  247.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8186  194.0448  246.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6687  194.7505  245.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5215  192.7579  245.8399 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1085  192.1352  244.6229 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6165  191.8095  244.7199 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.8167  190.8059  245.8785 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0191  189.5204  245.5865 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6491  189.7801  245.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3932  190.8022  244.2861 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.7803  190.3825  242.9906 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7505  188.6208  244.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8421  187.7565  243.8847 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1880  190.4689  246.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5337  192.9111  244.8406 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5884  193.7537  243.6713 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4689  194.9967  243.9616 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.9537  194.6958  243.7344 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.1636  194.0230  242.3761 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.3304  192.7374  242.3283 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9405  193.0613  242.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5216  191.9993  240.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9538  192.7261  239.9105 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7732  194.9324  241.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7376  195.8973  243.7834 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2765  195.4881  245.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7853  192.2601  246.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4765  191.0874  242.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2214  188.3238  243.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6627  191.3000  246.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.3286  193.6255  239.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3217  195.7366  241.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.6271  196.2655  244.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3094  195.5592  245.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 27  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  6  0  0  0
  8  9  1  0  0  0  0
  8 12  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 15  1  1  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  1  0  0  0
 18 19  1  0  0  0  0
 18 25  1  6  0  0  0
 19 20  1  0  0  0  0
 19 24  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
M  END
>  <CHROM.1>
69.85342052,-66.33781869,58.66209831,-156.14663443,-61.80268279,62.29978821
173.27601497,-49.01387080,61.76543703,59.40961642,-68.31817102,53.81688355
215.19046535,192.52543886,244.11370506,2.74227552,-0.75000247,-2.70779461

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444641/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.38373

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-18.7837

>  <SCORE.INTRA.DIHEDRAL>
-20.9136

>  <SCORE.INTRA.DIHEDRAL.0>
25.9753

>  <SCORE.INTRA.POLAR>
-2.12946

>  <SCORE.INTRA.POLAR.0>
-0.439755

>  <SCORE.INTRA.REPUL>
-0.00441952

>  <SCORE.INTRA.REPUL.0>
0.00441952

>  <SCORE.INTRA.VDW>
-1.0647

>  <SCORE.INTRA.VDW.0>
-2.60148

>  <SCORE.INTRA.norm>
-0.722451

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
-0.322451

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000692

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  188.9125  215.4999  248.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5182  214.2849  249.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8777  213.1854  249.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4888  212.0976  249.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7987  212.0492  251.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4704  213.1220  251.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8221  214.2405  251.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8039  213.1112  253.5728 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.0370  213.8391  253.7930 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5768  213.4396  254.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1726  211.5710  253.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4125  213.2475  247.7770 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9482  211.3330  253.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.7772  214.0159  247.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.1477  213.1863  247.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
-55.20173905,149.06012860,59.18869441,188.47302729,213.28252953,251.56341840
-1.92254026,1.06240527,2.04906576

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444642/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.01728

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-1.38272

>  <SCORE.INTRA.DIHEDRAL>
-1.22712

>  <SCORE.INTRA.DIHEDRAL.0>
2.79935

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.769161

>  <SCORE.INTRA.VDW.0>
-0.402559

>  <SCORE.INTRA.norm>
-0.115227

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.50144

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000190

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 40  0  0  0  0  0  0  0  0999 V2000
  195.0130  205.0250  255.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4155  205.5737  253.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4625  204.6690  253.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8890  205.1850  251.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9373  204.2464  251.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3758  204.7346  249.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5062  205.5219  249.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9490  205.9856  248.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3088  205.6687  247.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1592  204.7837  247.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6946  204.3881  248.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3571  204.1957  246.1954 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2532  204.9436  245.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8587  205.9912  246.1535 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4520  204.4854  244.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8878  203.3659  243.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3596  203.0044  242.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3327  203.7607  241.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8363  204.8529  242.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3958  205.2099  243.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7870  203.4034  240.5006 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.2705  202.4216  239.9302 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8793  204.1098  240.0407 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.8530  202.4036  244.1549 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.5478  201.8644  245.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7898  202.0910  243.4199 O   0  5  0  0  0  0  0  0  0  0  0  0
  200.0396  206.3681  246.0738 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1865  205.5546  245.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7011  204.4993  244.4896 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.6409  205.0917  243.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6337  206.1491  244.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2272  207.1474  245.0408 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2313  208.1757  245.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9031  209.2091  246.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4651  208.9707  244.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3912  203.1960  245.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0770  206.7754  248.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3729  206.8664  249.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27  9  1  6  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 36  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 37 38  1  0  0  0  0
M  CHG  4  21   1  23  -1  24   1  26  -1
M  END
>  <CHROM.1>
179.91032880,-179.96088722,179.99670438,94.49685007,0.12983910,89.25934192
-86.93933776,-7.52680410,-7.92180713,56.71509332,197.31544604,204.93397690
246.06261584,1.28368839,0.43984746,1.50671116

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444643/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3486

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389189

>  <SCORE.INTRA>
-4.05138

>  <SCORE.INTRA.DIHEDRAL>
-3.25311

>  <SCORE.INTRA.DIHEDRAL.0>
10.087

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.42482

>  <SCORE.INTRA.VDW.0>
-3.34754

>  <SCORE.INTRA.norm>
-0.109497

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.279692

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001419

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 51 55  0  0  0  0  0  0  0  0999 V2000
  199.1818  222.1015  243.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2558  221.4035  242.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5590  221.7567  243.2328 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.3032  223.0055  243.9774 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8778  223.3345  243.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2463  224.1307  243.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4164  224.2154  244.8576 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4304  223.0361  244.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8793  221.7736  245.5568 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.3568  222.1694  246.8347 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3463  223.1485  246.6412 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.9105  224.3638  246.1823 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5965  223.4225  247.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3321  224.0248  247.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6109  224.3086  248.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1510  224.0027  250.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4227  223.4208  250.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1437  223.1322  249.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2976  224.1436  251.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5050  222.9433  251.5553 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5896  222.7984  252.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4378  223.6269  253.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7879  221.5271  252.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6622  220.3116  252.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8224  219.4350  251.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2953  219.3587  251.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9297  218.3381  251.4219 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7851  220.4842  250.5377 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9494  220.5302  249.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1563  220.0481  248.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3525  219.9954  247.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3764  220.4924  246.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2026  221.0433  246.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9478  221.0280  248.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8449  221.7689  248.7622 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8224  220.5793  245.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7197  219.4220  244.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5066  218.2853  245.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4223  218.2684  246.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5047  219.4058  247.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7244  220.5415  246.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2191  217.0208  246.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4488  216.9779  245.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7549  221.6881  242.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9722  220.3582  241.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5275  222.2763  250.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.3832  221.0887  251.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0486  221.1538  248.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5854  222.5320  248.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.9035  216.1608  246.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1453  219.7973  242.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 44  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 48  1  0  0  0  0
 35 49  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  2  0  0  0  0
 42 43  1  0  0  0  0
 43 50  1  0  0  0  0
 44 45  1  0  0  0  0
 45 51  1  0  0  0  0
M  END
>  <CHROM.1>
-64.85703705,-93.02934712,63.69108633,-105.12933752,-160.43250895,82.61020066
-177.90070569,68.81003684,-114.13961677,121.06902465,105.24898177,-97.60530179
-86.66662488,-94.90975756,89.51413803,178.76771698,-59.70957077,201.51239097
221.47744619,247.47016279,0.59771890,0.63482950,-1.08735317

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444644/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.35076

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.453333

>  <SCORE.INTRA>
-14.0492

>  <SCORE.INTRA.DIHEDRAL>
8.44684

>  <SCORE.INTRA.DIHEDRAL.0>
12.02

>  <SCORE.INTRA.POLAR>
-1.52142

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-13.0998

>  <SCORE.INTRA.VDW.0>
-3.06852

>  <SCORE.INTRA.norm>
-0.312205

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
0.141128

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006075

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 28  0  0  0  0  0  0  0  0999 V2000
  204.3646  197.7972  242.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4725  198.7982  242.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7708  198.9012  244.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8873  198.1349  244.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2675  198.0587  245.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5332  198.7489  246.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4291  199.5389  246.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0105  199.6728  245.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8621  200.5643  244.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1801  201.2039  245.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6396  200.9988  247.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7442  200.1957  247.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1045  202.0124  245.7510 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6022  202.2696  244.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2231  201.7005  243.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3326  200.8857  243.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7677  201.9131  242.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6592  202.7054  241.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0057  203.3020  242.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8885  204.1091  242.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2164  204.7249  243.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6577  204.5385  245.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7696  203.7301  245.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4736  203.0912  244.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
98.33248149,202.92180909,201.12323895,244.49399858,-0.02028255,0.68029196
-1.81997241

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444645/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34533

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-0.0546738

>  <SCORE.INTRA.DIHEDRAL>
0.0361022

>  <SCORE.INTRA.DIHEDRAL.0>
0.701014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0727249

>  <SCORE.INTRA.VDW.0>
-0.423682

>  <SCORE.INTRA.norm>
-0.00227807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.264389

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009161

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  223.0995  187.0712  245.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6725  187.0720  246.0907 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8997  187.3598  244.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2323  185.7798  246.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1733  185.7048  248.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1543  186.6525  248.8472 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1684  186.0095  249.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7463  185.2149  250.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9638  184.5268  251.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5831  184.6161  251.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9886  185.4065  250.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7593  186.1069  249.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8360  187.2069  248.6989 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.8996  188.5816  248.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1410  189.5121  249.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9922  190.6046  249.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6056  190.7767  247.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3369  189.8934  246.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4779  188.8036  247.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7068  192.0768  247.6581 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.8329  187.8759  249.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7249  188.2036  250.6511 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6699  188.5774  248.6448 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6569  188.4476  247.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.0938  189.4169  249.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
97.08769599,63.68898273,127.63795707,51.99011364,-123.48190044,-24.59460644
-72.85197230,219.63197770,187.81792518,248.53665109,-1.00822859,-0.71293729
2.89497471

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444646/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.4454

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-2.9546

>  <SCORE.INTRA.DIHEDRAL>
6.37634

>  <SCORE.INTRA.DIHEDRAL.0>
6.11666

>  <SCORE.INTRA.POLAR>
-0.915908

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.02869

>  <SCORE.INTRA.VDW.0>
-3.49843

>  <SCORE.INTRA.norm>
-0.128461

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.410669

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000207

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  189.6869  216.3465  260.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4752  215.9431  258.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5883  214.4187  258.8110 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.2970  214.0832  260.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6584  215.2965  260.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3157  213.8383  257.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5451  213.7004  257.5920 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5363  213.4980  256.4534 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0416  212.9062  255.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6739  211.6458  255.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2667  211.1066  254.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2319  211.7979  252.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5684  213.0200  252.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9680  213.5629  254.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0617  209.5827  254.2204 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.1590  213.5753  256.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4601  214.0763  257.5423 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1155  214.0559  257.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0553  214.5630  257.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7392  214.4728  257.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4693  213.8784  256.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4982  213.3714  255.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8153  213.4801  255.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2710  212.9907  255.2001 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
89.68901104,61.28547855,7.81740070,188.87098292,213.30571467,256.45556089
-2.37354538,0.17426051,-2.14529479

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444647/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.93466

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-16.3347

>  <SCORE.INTRA.DIHEDRAL>
-39.6351

>  <SCORE.INTRA.DIHEDRAL.0>
52.3281

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
3.48289

>  <SCORE.INTRA.VDW.0>
-2.32723

>  <SCORE.INTRA.norm>
-0.680611

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.330611

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000837

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  195.8686  211.2206  242.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7832  211.1168  243.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8716  209.9739  244.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7524  209.8326  245.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4898  210.8557  246.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4656  212.2207  245.4732 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6000  212.3419  244.1722 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.4453  212.6169  243.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9884  213.1130  246.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0076  211.8338  242.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9980  214.0033  246.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  1  0  0  0
  7  8  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
178.19473519,-60.55785146,197.60849329,211.56430435,244.63191698,-2.72456354
1.03896343,2.37390531

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444648/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.27388

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.126124

>  <SCORE.INTRA.DIHEDRAL>
-0.028353

>  <SCORE.INTRA.DIHEDRAL.0>
0.26426

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.111948

>  <SCORE.INTRA.VDW.0>
-0.023614

>  <SCORE.INTRA.norm>
-0.0140138

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.585986

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001940

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  217.5956  188.4540  250.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4461  188.7629  251.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9536  187.5296  251.8889 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.9033  187.9130  252.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0138  188.1685  253.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9208  188.4523  254.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3955  186.5631  250.9635 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0127  185.3697  251.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1423  185.0397  252.6647 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4582  184.4541  250.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0762  183.1512  250.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7064  182.2016  249.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6232  182.6040  248.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9667  183.9043  248.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4003  184.8201  249.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5149  180.7434  250.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6964  180.4709  251.5209 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.2791  180.2708  249.8818 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.3994  179.9456  249.5347 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
175.82583149,136.82797984,174.93034248,-2.47828242,176.87987362,1.70817704
214.47179325,184.47310249,250.90527675,-1.14069314,-0.96817298,-2.46319288

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444649/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1832

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.2168

>  <SCORE.INTRA.DIHEDRAL>
-1.67158

>  <SCORE.INTRA.DIHEDRAL.0>
2.63474

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.381005

>  <SCORE.INTRA.VDW.0>
-0.433608

>  <SCORE.INTRA.norm>
-0.0640419

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.535958

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.126525

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  195.2030  218.2016  254.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2860  219.2760  254.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7376  218.8234  253.8579 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7439  219.9614  253.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8982  221.0724  253.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9765  221.9285  253.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8650  221.6822  254.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6894  220.5787  255.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6352  219.7243  255.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3024  218.5258  255.6531 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2112  217.9002  255.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6985  216.8460  255.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9155  218.0536  256.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9459  216.9321  256.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0666  217.3069  255.7233 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7056  217.2878  254.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4431  215.8762  253.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5933  215.0390  253.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9785  214.9725  255.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2126  216.3747  255.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8622  218.1611  252.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4703  216.9015  252.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7445  216.3675  251.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4174  217.0811  249.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7977  218.3188  250.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5228  218.8516  251.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-179.93389882,-127.77621751,-103.06448441,59.23927168,-79.28030884,199.53407158
218.08201902,254.00343011,-3.09194422,0.68664011,-2.49558648

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444666/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.81591

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.58409

>  <SCORE.INTRA.DIHEDRAL>
-0.217498

>  <SCORE.INTRA.DIHEDRAL.0>
3.72265

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.47534

>  <SCORE.INTRA.VDW.0>
-1.27006

>  <SCORE.INTRA.norm>
-0.0993882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.300612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029736

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  199.4121  215.6146  259.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1709  215.0557  258.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4071  214.1034  257.6600 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4369  214.7365  256.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0654  215.4699  255.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0424  214.6864  254.7359 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9863  214.0097  255.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3262  213.2683  256.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3759  213.6651  253.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2837  213.1320  252.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1180  211.9935  252.3481 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2921  214.0087  252.4120 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1886  213.8243  251.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1925  214.7810  251.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1704  214.5754  250.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1258  213.4180  249.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0744  212.5139  249.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1138  212.7204  250.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4522  213.0307  248.2805 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.9588  212.2046  247.2041 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2479  214.2146  248.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3714  212.0245  249.2619 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3860  214.8286  253.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7411  212.5359  250.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8592  211.1750  249.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
78.23371743,163.61539970,152.03860717,-177.23474592,-154.35256632,-64.87781013
202.08492141,213.72087420,252.54966340,-2.17836567,-0.32885113,-1.97171692

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444667/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.10449

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-2.29551

>  <SCORE.INTRA.DIHEDRAL>
-1.93678

>  <SCORE.INTRA.DIHEDRAL.0>
5.50761

>  <SCORE.INTRA.POLAR>
-0.160649

>  <SCORE.INTRA.POLAR.0>
-0.0492936

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.780913

>  <SCORE.INTRA.VDW.0>
-0.593599

>  <SCORE.INTRA.norm>
-0.104341

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.413841

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001924

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 56  0  0  0  0  0  0  0  0999 V2000
  213.6624  192.2604  241.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4632  192.9619  242.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5758  193.5737  241.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6607  192.0670  243.6092 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1101  190.7665  242.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7699  189.7603  242.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8611  190.8657  242.3793 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3674  191.9044  244.9122 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9316  192.5276  246.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8426  193.1209  246.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8042  192.5493  247.3563 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6357  193.9836  247.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5779  194.0911  249.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5315  192.9272  248.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2470  192.3814  247.6304 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1398  191.6407  246.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8091  191.1243  245.8225 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6319  191.5927  247.3863 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.6011  190.7265  246.5194 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.0396  190.6682  247.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0314  189.8023  246.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2800  188.4849  246.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1842  187.6868  246.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8466  188.1945  244.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6099  189.5013  244.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7203  190.3021  245.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9988  189.3860  246.2447 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1510  188.7029  245.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6853  189.2461  244.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5280  187.2740  244.9265 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2132  187.1893  244.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0653  187.9113  244.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3605  187.3659  245.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8039  189.1899  244.4396 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5135  186.3690  244.3398 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4555  185.7023  245.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5750  185.8768  246.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2654  184.6261  244.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3320  185.1528  243.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8161  186.1064  242.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2813  185.6316  241.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8886  186.5292  240.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0255  187.9015  240.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5327  188.3855  241.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9243  187.4894  242.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1755  192.9009  247.5873 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7318  190.5635  241.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0863  190.7490  243.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0943  191.1946  245.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5172  188.9612  247.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
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  217.4435  186.2160  243.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1349  193.3563  246.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <CHROM.1>
-58.21969061,79.56060094,107.20396412,128.37639628,139.10348219,179.46795657
-177.11896800,-60.41191912,177.35343315,143.58757869,-96.05096963,101.77900276
-65.43918666,86.13890322,-87.14734624,77.96223802,74.43644521,-54.72613218
-85.64652034,216.11730715,189.70608847,244.84431691,2.65691902,-0.42820034
0.92493968

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444668/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07323

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.508696

>  <SCORE.INTRA>
-15.3268

>  <SCORE.INTRA.DIHEDRAL>
-0.433644

>  <SCORE.INTRA.DIHEDRAL.0>
18.3294

>  <SCORE.INTRA.POLAR>
-2.56253

>  <SCORE.INTRA.POLAR.0>
-1.014

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.39735

>  <SCORE.INTRA.VDW.0>
-7.08214

>  <SCORE.INTRA.norm>
-0.333191

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.175505

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043915

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
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M  END
>  <CHROM.1>
68.81477234,59.87014155,101.72493841,131.53021717,-23.27931500,-106.05313961
-7.88468041,175.99679420,-67.08107591,77.29122866,-59.67772326,-115.85878196
88.18273891,-73.72254574,83.32462634,88.47507428,175.25485815,121.34945783
70.21738384,-63.27997545,123.39030154,92.05729076,31.68017575,84.77846108
118.99413215,-47.02869068,159.08298696,90.75105953,-127.43117735,39.73401264
197.88250719,205.10528839,251.13339422,1.21949706,0.74173967,-0.55871451

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444669/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.576

>  <SCORE.INTER>
34.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
29

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435443

>  <SCORE.INTRA>
-22.824

>  <SCORE.INTRA.DIHEDRAL>
-6.89473

>  <SCORE.INTRA.DIHEDRAL.0>
28.299

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
-2.12916

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-18.0182

>  <SCORE.INTRA.VDW.0>
-9.81045

>  <SCORE.INTRA.norm>
-0.288911

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
79

>  <SCORE.norm>
0.146532

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010579

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  218.6458  184.9265  251.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5366  183.4760  251.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5073  182.7174  250.7625 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6903  182.7268  249.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7923  184.1753  248.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8209  184.9499  249.5232 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.9581  185.8957  249.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.7625  184.4971  249.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4551  182.0747  251.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2086  182.0035  252.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7952  181.1027  253.1251 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.1351  179.8671  253.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7289  181.9744  253.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4802  180.7183  251.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4507  179.9117  250.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3894  179.6777  249.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3490  180.2403  248.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3827  181.0491  249.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4494  181.3029  250.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0600  182.7333  253.9931 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  1   6   1
M  END
>  <CHROM.1>
-1.40645956,216.08438378,182.02599339,251.49534342,-0.30358798,0.72720174
1.54997648

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444670/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-28.1977

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-34.5977

>  <SCORE.INTRA.DIHEDRAL>
-75.8145

>  <SCORE.INTRA.DIHEDRAL.0>
75.8685

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
3.30953

>  <SCORE.INTRA.VDW.0>
-1.52941

>  <SCORE.INTRA.norm>
-1.9221

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
-1.56654

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016287

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  198.5528  211.2549  243.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2751  210.2910  244.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4371  211.2383  244.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5148  212.4446  245.7005 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2369  213.5082  245.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8123  213.4996  244.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2635  214.6523  246.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7676  215.8753  245.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3523  216.3072  244.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5589  217.0120  244.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0529  217.5037  243.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3745  217.2921  242.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1877  216.5610  242.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6785  216.0661  243.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1939  218.2037  243.4192 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.5306  214.1822  247.6162 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.0866  212.5848  247.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2758  211.4867  247.9683 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-73.11812045,-134.90354005,200.39447567,214.25166477,245.18821887,2.97664085
1.00907865,1.24954770

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444671/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.50725

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-1.89275

>  <SCORE.INTRA.DIHEDRAL>
-5.99866

>  <SCORE.INTRA.DIHEDRAL.0>
15.1766

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.10658

>  <SCORE.INTRA.VDW.0>
-1.81906

>  <SCORE.INTRA.norm>
-0.105153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.305958

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000355

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  197.0425  211.3759  254.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7311  211.4078  253.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5287  211.3533  254.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6734  212.7021  252.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6841  210.3086  252.4896 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7909  208.7700  253.2735 P   0  0  1  0  0  0  0  0  0  0  0  0
  194.2811  208.5462  253.1046 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6080  208.0911  251.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1099  208.3440  251.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5170  209.7594  251.7711 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8939  209.9082  252.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4248  210.3963  250.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8921  207.3115  254.0165 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
59.47059134,102.94852900,84.96535596,-58.24305839,157.69913840,196.53362134
209.72670635,252.79097424,-3.00881555,-0.51237709,-3.09764655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444672/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15759

>  <SCORE.INTRA.VDW.0>
0.963274

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015657

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  219.6940  188.7933  244.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4264  188.7316  245.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4481  187.7919  246.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7441  186.8898  245.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0126  186.9770  243.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9880  187.9210  243.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7554  185.9088  245.1834 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7439  184.7962  246.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2097  184.9102  247.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1451  183.8161  248.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6192  182.5858  247.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1957  182.4600  246.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2697  183.5482  245.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5709  181.5444  248.7281 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.0932  180.4994  248.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6747  186.3148  245.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
67.22277343,-86.92200557,-179.79108864,221.87402950,185.07275496,246.24547293
-2.33507476,1.17161071,-2.89584878

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444673/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34809

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-1.05191

>  <SCORE.INTRA.DIHEDRAL>
-1.60931

>  <SCORE.INTRA.DIHEDRAL.0>
2.57077

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.24726

>  <SCORE.INTRA.VDW.0>
-0.328703

>  <SCORE.INTRA.norm>
-0.0701276

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.489872

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001608

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  208.4509  190.8850  249.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4749  192.2725  248.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6925  192.9420  248.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8861  192.2392  249.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8646  190.8554  249.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6456  190.1559  249.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5831  188.6301  249.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0294  187.9337  248.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0919  187.2404  247.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4827  186.6004  246.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8124  186.6518  245.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7575  187.3261  246.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3704  187.9582  247.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2920  185.8795  244.3429 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.3289  188.0771  250.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6705  188.7629  252.2426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.2080  186.2890  250.8510 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.7253  194.6439  248.6721 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
106.49694381,-110.37990043,59.51287388,210.11781952,189.10090977,248.64709841
-2.58785790,-1.38470623,2.57532446

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444674/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.32522

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-0.0747833

>  <SCORE.INTRA.DIHEDRAL>
-0.058332

>  <SCORE.INTRA.DIHEDRAL.0>
1.63024

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0456173

>  <SCORE.INTRA.VDW.0>
-2.72505

>  <SCORE.INTRA.norm>
-0.00415463

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.462512

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001387

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  187.2216  209.0579  259.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7602  208.1800  258.1861 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.5213  206.7439  258.4244 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2892  206.4899  259.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8434  205.1888  259.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6559  204.8952  259.8484 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.8806  205.9330  260.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2348  207.2195  260.1103 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4288  207.4872  259.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7818  208.8426  259.4782 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6092  205.6518  260.6302 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6856  204.1075  258.9932 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2168  208.4277  257.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5473  208.9925  256.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8748  209.2509  256.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8944  208.9409  257.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5847  208.3716  258.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2546  208.1147  258.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2728  206.2467  258.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.2385  209.3992  260.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.5464  204.6949  260.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.2832  206.3827  261.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.9687  203.6482  259.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.4682  204.4744  258.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  1  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-113.69583739,111.67650386,19.13156535,187.22174425,207.28320315,258.83007821
0.41067925,0.37195607,-0.02802375

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444675/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.02096

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-0.379045

>  <SCORE.INTRA.DIHEDRAL>
-0.00132192

>  <SCORE.INTRA.DIHEDRAL.0>
1.68759

>  <SCORE.INTRA.POLAR>
-0.204044

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.315368

>  <SCORE.INTRA.VDW.0>
-0.873703

>  <SCORE.INTRA.norm>
-0.021058

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.445609

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000224

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  199.8628  228.0735  255.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3951  228.4370  255.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0660  228.4088  257.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1187  229.8151  255.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7326  230.1542  255.2294 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8952  229.3402  254.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1855  228.7931  253.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2796  227.9449  252.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0591  227.6142  253.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7493  228.1995  254.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6629  229.0527  255.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1015  226.6519  252.5701 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.8465  225.3723  253.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6715  224.5271  253.6882 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5214  225.3196  253.6914 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8619  226.3894  253.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6770  226.6333  253.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7557  227.1739  252.5065 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0878  224.5897  254.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4843  228.0506  252.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12  9  1  1  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
174.64949732,-64.15008617,-37.51115565,117.14541470,194.69537435,227.64496645
254.16852038,-0.36821899,0.36224282,3.10315312

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444676/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.14551

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.254492

>  <SCORE.INTRA.DIHEDRAL>
1.97489

>  <SCORE.INTRA.DIHEDRAL.0>
0.734845

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.24194

>  <SCORE.INTRA.VDW.0>
0.761703

>  <SCORE.INTRA.norm>
-0.0141384

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.508084

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005007

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  201.4719  228.6553  251.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5584  227.7497  251.1015 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7021  227.4622  249.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2441  226.1926  249.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5654  225.7971  248.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3691  226.6851  247.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8260  227.9620  247.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4832  228.3446  248.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9892  229.5981  248.9269 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7451  228.7021  246.2340 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5937  229.5045  246.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1235  224.4459  247.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3254  223.6016  248.9036 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8313  222.3693  248.5780 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0117  221.4355  249.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7203  221.6291  250.7749 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5886  220.1039  249.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8009  219.1707  250.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4206  217.9423  249.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8530  217.6414  248.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6222  218.5458  247.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9992  219.7790  247.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5706  216.4326  248.4471 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2539  216.5426  248.2457 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.7830  215.2139  248.4354 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5297  217.2884  247.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9201  217.5299  249.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6624  217.2063  250.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9930  218.3513  251.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4840  219.5092  250.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6151  219.2122  249.4759 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.6808  229.6071  249.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9739  222.1344  247.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.2029  215.9057  247.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
105.16964431,0.02843875,139.66678274,-12.08517215,-177.91280899,178.54544878
-102.71899104,161.67497942,107.07792943,204.02375700,221.99069545,248.96083930
-2.60327473,0.92242736,-2.26516430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444677/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.74702

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-3.65298

>  <SCORE.INTRA.DIHEDRAL>
0.0380176

>  <SCORE.INTRA.DIHEDRAL.0>
8.44197

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.67199

>  <SCORE.INTRA.VDW.0>
0.814901

>  <SCORE.INTRA.norm>
-0.117838

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.31442

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000281

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  177.9492  217.0397  257.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4150  216.7936  257.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2254  218.0783  257.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7017  217.8448  257.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4878  219.1460  257.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9646  218.9248  257.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7646  220.2186  257.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2236  219.9290  257.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0130  221.1117  257.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3490  220.9135  257.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0774  219.7870  257.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4293  219.6754  257.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0709  220.6985  258.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3530  221.8313  258.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9930  221.9366  258.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4984  220.5713  258.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1985  221.4298  259.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6714  221.2959  259.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3351  220.4267  259.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1671  222.2758  260.5963 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2700  223.1028  261.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6347  222.8022  260.4667 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.4362  224.1694  261.8547 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7098  224.3723  263.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0209  223.6233  264.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3210  223.7931  265.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2877  224.7168  265.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9446  225.4832  264.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6590  225.3164  263.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2518  226.1285  261.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7942  226.4474  264.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3484  224.6084  261.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.65581303,-179.91520647,-179.44109397,179.93253430,179.81656663,-179.18663367
-179.50435535,37.96773260,-174.19267880,-125.51346241,75.90597174,189.51854588
221.61663146,259.96905482,2.58321049,-0.08785738,-2.25610856

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444678/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7286

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.529032

>  <SCORE.INTRA>
-5.67143

>  <SCORE.INTRA.DIHEDRAL>
-10.8426

>  <SCORE.INTRA.DIHEDRAL.0>
13.8008

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.250153

>  <SCORE.INTRA.VDW.0>
-0.596071

>  <SCORE.INTRA.norm>
-0.18295

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.346083

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 58 65  0  0  0  0  0  0  0  0999 V2000
  197.6042  209.6375  252.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8358  208.1639  252.3783 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5917  207.3882  252.8240 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.6891  207.0637  251.6112 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5334  206.3561  250.5057 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7444  207.2701  250.1442 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.4935  207.4753  251.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6449  206.7099  249.1702 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0863  205.3594  249.5017 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7458  204.5206  248.3834 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.2125  204.7114  248.3891 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0979  204.9028  249.5616 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4463  205.7327  250.4993 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0790  205.3890  250.7831 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1365  204.2753  251.6975 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0558  203.9168  252.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5077  202.6724  252.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3425  202.2233  252.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7944  202.9806  253.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4378  204.1288  254.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5751  204.6389  253.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1153  205.8450  254.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5977  206.5816  255.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1082  207.9089  255.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6026  208.6013  256.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0189  209.8939  256.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9241  210.5441  255.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4444  209.8961  254.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
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  200.6527  207.7871  253.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4228  208.2285  252.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
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  197.6303  207.9895  257.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
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  196.2021  206.2730  257.7833 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5439  206.0105  255.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9861  204.7879  255.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8543  204.2422  256.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6226  204.8905  255.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4488  205.9947  255.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5533  204.0969  256.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1949  202.8286  255.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7467  203.1078  254.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5056  203.0051  253.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3094  203.5274  254.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8421  203.7023  250.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5996  203.7759  247.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8242  204.3156  246.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5688  204.7674  246.9361 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8120  205.3875  245.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5441  203.3094  245.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9760  205.0754  250.9775 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5667  206.3082  252.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5455  206.0762  251.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9247  208.1076  253.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1701  204.5570  251.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1872  207.5699  254.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 56  1  1  0  0  0
  4  5  1  0  0  0  0
  4 54  1  1  0  0  0
  5  6  1  0  0  0  0
  5 53  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 50  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  1  0  0  0
 12 13  1  0  0  0  0
 12 47  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 32  1  0  0  0  0
 22 23  2  0  0  0  0
 23 37  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
 53 57  1  0  0  0  0
 54 55  1  0  0  0  0
 56 58  1  0  0  0  0
M  END
>  <CHROM.1>
-174.87372539,172.09149909,60.76440755,-51.16115738,164.50092842,-63.55708987
112.37700372,-103.77070901,-11.24370456,-73.98813097,-56.46078044,98.17454744
198.04839966,205.89866560,252.58643744,-2.33118504,-0.57321665,-2.16206540

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444679/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.02573

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.275

>  <SCORE.INTRA>
-20.4257

>  <SCORE.INTRA.DIHEDRAL>
-17.126

>  <SCORE.INTRA.DIHEDRAL.0>
31.8973

>  <SCORE.INTRA.POLAR>
-0.971536

>  <SCORE.INTRA.POLAR.0>
-0.0284641

>  <SCORE.INTRA.REPUL>
-0.417948

>  <SCORE.INTRA.REPUL.0>
0.417948

>  <SCORE.INTRA.VDW>
-6.46975

>  <SCORE.INTRA.VDW.0>
-5.28207

>  <SCORE.INTRA.norm>
-0.364745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
56

>  <SCORE.norm>
-0.0897452

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  222.7432  184.6365  241.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9974  185.1185  239.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4863  186.5000  239.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7505  186.9976  238.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2432  188.3251  237.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6390  189.4215  237.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0832  190.7474  237.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0803  191.3323  237.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8278  190.6752  239.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5518  191.3456  240.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0811  191.2007  240.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7306  189.7593  241.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7896  192.1292  241.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2164  191.5906  235.7736 Si  0  0  0  0  0  0  0  0  0  0  0  0
  222.7979  190.7576  234.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3659  191.2989  235.9549 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5959  193.4155  235.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  3  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.76582320,-179.77485588,-47.50842943,80.16984429,-71.37959311,-112.66314227
64.46833050,69.82905631,222.71858179,189.83334227,238.31398113,1.54110760
1.25688807,2.50077833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444680/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.4685

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.788235

>  <SCORE.INTRA>
-1.93148

>  <SCORE.INTRA.DIHEDRAL>
-0.907503

>  <SCORE.INTRA.DIHEDRAL.0>
2.69424

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.47773

>  <SCORE.INTRA.VDW.0>
-0.736876

>  <SCORE.INTRA.norm>
-0.113617

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.674619

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021759

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  223.0813  186.9327  252.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2993  188.2323  252.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4606  188.7134  251.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9418  187.7815  250.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6926  186.4479  250.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6388  185.8789  251.6419 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.6633  185.6441  251.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.4296  184.5876  251.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2609  183.8882  253.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3113  183.8612  253.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1105  183.3646  255.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8688  182.8620  255.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8566  182.7567  254.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0419  183.2965  253.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5775  182.4728  256.9759 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.4142  182.6897  258.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4495  183.3427  257.9930 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0115  182.0535  259.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7170  181.6621  259.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0695  182.8660  259.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9079  183.4590  260.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4813  182.6855  260.8875 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.4907  184.5413  261.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3019  185.1651  261.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5146  184.6722  260.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8420  183.4658  259.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8383  186.6208  262.1181 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.1081  180.0825  259.8130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.6527  182.1156  257.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  1   6   1
M  END
>  <CHROM.1>
62.87146023,-108.46008049,8.26902693,-22.03658463,222.13794134,184.14841682
257.00245617,1.20006498,1.14482998,-0.91389901

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444681/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.61773

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-0.782266

>  <SCORE.INTRA.DIHEDRAL>
-1.73685

>  <SCORE.INTRA.DIHEDRAL.0>
4.60794

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0861568

>  <SCORE.INTRA.VDW.0>
-1.78898

>  <SCORE.INTRA.norm>
-0.0289728

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.319175

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001913

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  195.6320  215.5016  246.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1912  214.4857  247.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9101  215.1470  248.1123 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.4839  216.2255  248.8949 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7322  215.3761  247.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5953  213.8351  249.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6618  213.9825  250.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3484  212.6666  251.2218 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.7628  211.5936  250.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5313  212.4312  252.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0769  213.3306  252.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6401  212.3131  253.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-66.23980824,-179.81319718,-66.97922296,179.58463509,193.13025212,213.90723609
249.66843294,-0.89095607,-0.75657654,2.61952012

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444690/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.05513

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-0.344866

>  <SCORE.INTRA.DIHEDRAL>
-0.0545166

>  <SCORE.INTRA.DIHEDRAL.0>
2.56876

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.317607

>  <SCORE.INTRA.VDW.0>
-0.806001

>  <SCORE.INTRA.norm>
-0.0287388

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.754595

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006485

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  203.0818  217.4722  254.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9610  216.7417  253.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0172  215.9327  253.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5520  215.3330  252.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7981  215.7789  251.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8236  216.6796  251.8548 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8807  217.4229  251.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3542  216.9006  249.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4637  217.6502  249.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0318  218.9027  249.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5358  219.4282  250.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4736  218.7033  251.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1592  219.5391  248.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0075  220.0894  249.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0290  215.4975  249.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6685  214.4286  252.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4314  213.9699  253.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2233  214.3613  254.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0910  214.6358  255.8605 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5776  213.0411  253.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8383  212.6885  251.9463 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3110  212.6328  254.1823 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4668  211.7489  254.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0264  210.3052  254.3634 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.0549  209.7440  253.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5246  208.5446  254.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4552  209.0492  255.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3261  210.1928  255.6213 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0232  212.8507  255.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  3  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 24 23  1  6  0  0  0
 24 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
0.00648058,-148.78051427,132.49451726,-0.03665694,-95.07971606,62.63576455
205.50014714,214.85510416,252.47853396,3.08165009,0.84861077,-1.98734919

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444691/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.33855

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-2.06145

>  <SCORE.INTRA.DIHEDRAL>
-2.70154

>  <SCORE.INTRA.DIHEDRAL.0>
10.1187

>  <SCORE.INTRA.POLAR>
0.0124552

>  <SCORE.INTRA.POLAR.0>
-0.0124552

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.753034

>  <SCORE.INTRA.VDW.0>
1.23193

>  <SCORE.INTRA.norm>
-0.0736234

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.333519

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  208.8021  189.9063  247.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4930  188.4501  247.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1237  187.6698  246.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8471  186.2426  247.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7172  185.4914  246.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6390  185.7637  248.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0949  184.4902  248.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7482  184.0781  249.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9404  184.9380  251.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6007  186.1823  250.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9397  186.5888  249.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6675  187.8590  249.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4060  188.4058  250.1170 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8556  186.9958  252.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4497  188.3539  252.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7203  188.9966  253.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3189  188.2953  254.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7473  186.9956  254.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5716  186.3837  253.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5313  188.8235  255.9221 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4096  190.4264  253.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5396  190.9638  254.9179 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0136  191.2211  252.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6993  190.6396  251.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6895  189.1542  251.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0470  188.6340  250.4838 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2713  191.4218  250.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8553  183.6018  247.7052 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1698  189.7386  255.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1463  184.0045  246.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 29  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
1.29331025,-124.93947507,1.87455710,207.66827372,187.77127162,250.82804184
2.02825119,1.53056866,-2.59124579

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444692/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.58957

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.228571

>  <SCORE.INTRA>
-1.81043

>  <SCORE.INTRA.DIHEDRAL>
0.615365

>  <SCORE.INTRA.DIHEDRAL.0>
2.56057

>  <SCORE.INTRA.POLAR>
-0.00013

>  <SCORE.INTRA.POLAR.0>
-0.00546172

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.11767

>  <SCORE.INTRA.VDW.0>
-0.13098

>  <SCORE.INTRA.norm>
-0.0646582

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.163913

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006964

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  192.6326  217.6089  262.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4477  216.1408  262.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4259  215.2061  262.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7043  213.6604  262.9230 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.1773  214.3378  262.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1626  215.6204  262.3821 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0262  213.5817  262.6160 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7787  214.0462  262.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4966  215.1678  261.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6694  213.0555  262.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3867  213.4913  261.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3049  212.6274  262.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4866  211.3338  262.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7536  210.8887  262.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8525  211.7501  262.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4391  210.5069  262.6756 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.0835  213.0549  261.7355 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.8497  215.4178  263.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3598  216.5384  262.9635 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7496  214.2482  263.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2014  212.5934  262.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
0.61698748,-173.39560513,-179.37619659,189.81654073,213.87536843,262.55570265
0.35766278,-0.15773446,-0.23724732

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444693/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31977

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-2.08023

>  <SCORE.INTRA.DIHEDRAL>
-4.99536

>  <SCORE.INTRA.DIHEDRAL.0>
5.48197

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.417447

>  <SCORE.INTRA.VDW.0>
-0.0354426

>  <SCORE.INTRA.norm>
-0.104012

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.315988

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000238

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  193.4177  206.6627  256.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0983  206.3131  255.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3539  205.2934  255.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0907  205.0060  255.4681 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5362  205.7613  254.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4009  205.6079  254.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3399  206.7483  253.9364 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5457  207.1483  254.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1202  208.1479  254.0238 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1933  204.1091  256.1998 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4898  202.6646  255.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9665  202.1215  257.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0434  203.1588  258.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7095  203.1230  259.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4196  204.3144  257.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9283  207.3369  253.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-81.25847445,190.50974163,205.13416953,255.84363767,-1.21958429,0.51508325
2.29774186

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444694/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.05539

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.344612

>  <SCORE.INTRA.DIHEDRAL>
-0.945446

>  <SCORE.INTRA.DIHEDRAL.0>
2.78338

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.128111

>  <SCORE.INTRA.VDW.0>
-0.76907

>  <SCORE.INTRA.norm>
-0.0229741

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.403693

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001114

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  221.1805  185.5689  241.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5911  185.8910  240.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8731  186.8526  239.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7456  187.4526  240.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3137  187.1518  241.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0628  186.2007  242.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6725  185.8774  243.5377 N   0  3  0  0  0  0  0  0  0  0  0  0
  220.3480  185.0379  244.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6833  186.4594  244.0046 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.2942  188.3651  239.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1964  188.2335  238.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1300  187.3406  238.3308 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1329  189.0430  236.5586 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.1700  189.1958  239.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8812  190.3544  238.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6410  191.1118  238.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6571  191.3232  238.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5007  192.0728  238.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3136  192.6200  239.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2739  192.4383  240.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4206  191.6898  240.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4147  191.5518  241.3243 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.7406  190.4014  241.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8534  192.5986  241.8136 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.0999  193.3984  239.8763 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.2739  193.5403  238.9701 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9874  193.8641  241.0182 O   0  5  0  0  0  0  0  0  0  0  0  0
  215.7766  190.8962  236.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8923  191.1527  235.7820 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8683  190.1879  236.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8932  189.5456  236.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9517  189.8914  235.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 32  1  0  0  0  0
M  CHG  6   7   1   9  -1  22   1  24  -1  25   1  27  -1
M  END
>  <CHROM.1>
-13.18032803,-115.57172277,-177.88037747,179.07347804,217.71308287,189.61331806
239.75721261,0.41288399,-0.74402259,1.77624513

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444695/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.60589

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.28

>  <SCORE.INTRA>
-5.79411

>  <SCORE.INTRA.DIHEDRAL>
-7.3254

>  <SCORE.INTRA.DIHEDRAL.0>
18.1923

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.26859

>  <SCORE.INTRA.VDW.0>
-1.18984

>  <SCORE.INTRA.norm>
-0.193137

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.086863

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  201.2059  210.1492  248.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5785  211.6004  249.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8748  211.8529  249.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3345  213.1497  249.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5113  214.2222  249.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2162  213.9939  248.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7103  212.6881  248.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2107  212.4867  248.4906 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1019  211.9765  247.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6891  211.5810  246.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1414  210.5356  247.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0714  211.1110  249.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4437  211.5948  249.5137 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3498  212.1961  250.8170 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6567  212.4148  251.7742 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.5085  211.2473  251.7184 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1781  213.7518  251.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8165  212.4030  253.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-76.77866746,-67.94099174,-41.78084123,199.90329081,212.16360144,249.76063652
-2.42542055,0.29576872,1.40707254

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444696/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.10185

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-1.29815

>  <SCORE.INTRA.DIHEDRAL>
-0.155979

>  <SCORE.INTRA.DIHEDRAL.0>
1.84311

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.22016

>  <SCORE.INTRA.VDW.0>
-2.51527

>  <SCORE.INTRA.norm>
-0.0721194

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.394547

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005470

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  196.1506  216.5010  244.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0300  216.7723  246.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2637  217.2169  246.9354 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5865  218.5186  247.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8518  219.4686  246.9666 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9357  218.7598  247.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0321  218.8239  247.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3323  217.7219  246.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6917  217.5669  245.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9097  216.4037  244.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7853  215.4001  244.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4091  215.5582  245.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1731  216.6982  246.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0250  214.1664  243.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0867  213.0429  244.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2076  212.5033  243.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7996  218.4287  244.4566 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2214  219.7761  244.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1736  216.1767  247.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9077  215.6593  248.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8869  214.5416  248.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
99.75569718,-90.42559535,82.52230563,-62.20324467,88.11774788,54.42696731
-91.21654958,118.17475556,179.65590803,198.95921559,216.69684317,245.98289555
2.23509165,0.82853144,-0.03992974

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444697/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.13636

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.685714

>  <SCORE.INTRA>
-7.26364

>  <SCORE.INTRA.DIHEDRAL>
-1.0329

>  <SCORE.INTRA.DIHEDRAL.0>
16.1596

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.74719

>  <SCORE.INTRA.VDW.0>
1.67191

>  <SCORE.INTRA.norm>
-0.345888

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.339826

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  195.8554  227.4629  260.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1458  226.1302  260.5724 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.9918  225.0301  261.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0148  224.1140  261.6576 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9656  224.9701  262.1326 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0489  226.2425  261.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6466  224.3482  261.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6760  223.9629  262.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7765  224.1646  264.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3627  223.3194  262.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2593  221.8081  262.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2852  220.9582  261.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2351  220.2614  262.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3839  220.2462  263.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2468  219.4198  261.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
119.30473385,105.20096306,-60.77163375,113.68045243,193.10945958,223.52948975
262.04378841,-0.95643012,-0.37187536,3.09994681

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444714/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.22518

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-3.17482

>  <SCORE.INTRA.DIHEDRAL>
-3.80404

>  <SCORE.INTRA.DIHEDRAL.0>
4.31242

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.2728

>  <SCORE.INTRA.VDW.0>
-0.376982

>  <SCORE.INTRA.norm>
-0.211655

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.415012

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026583

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 33  0  0  0  0  0  0  0  0999 V2000
  199.6478  207.4553  244.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5177  208.1464  244.9690 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8598  208.1273  244.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6035  209.0192  245.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9718  209.1506  245.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6111  208.4277  244.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8868  207.5744  243.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5065  207.3861  243.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5606  207.2620  242.1124 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.8404  208.0410  241.1013 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6982  207.4468  240.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6010  208.2017  240.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5460  207.5930  239.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6107  206.2421  239.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7085  205.4730  239.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7100  206.0873  240.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8785  205.3676  240.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6773  205.8652  241.7206 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.7411  204.9908  241.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8592  205.0516  242.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8158  204.0339  242.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6526  203.0125  241.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5093  202.9418  240.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5700  203.9468  241.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3676  204.1772  240.3909 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9858  209.8339  246.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6415  208.9806  241.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.9812  203.6147  239.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.0344  209.6153  246.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  1  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
169.43735758,1.21836567,-105.67101818,203.51045305,206.62105831,242.29788334
2.34276293,-0.48446096,1.05916856

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444715/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.31327

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.0867263

>  <SCORE.INTRA.DIHEDRAL>
-0.133642

>  <SCORE.INTRA.DIHEDRAL.0>
1.05607

>  <SCORE.INTRA.POLAR>
-0.00245851

>  <SCORE.INTRA.POLAR.0>
-0.311198

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0115463

>  <SCORE.INTRA.VDW.0>
-0.195521

>  <SCORE.INTRA.norm>
-0.00333563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.28128

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 50  0  0  0  0  0  0  0  0999 V2000
  217.1115  191.5028  243.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2169  190.6466  245.8798 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.7261  189.8116  247.7599 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.9547  189.5777  249.2372 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.4495  188.5701  248.2166 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.1139  189.2583  246.5977 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8594  188.0583  248.4590 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9355  187.2918  247.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2934  188.2282  246.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5151  188.2668  245.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4085  187.5258  244.8804 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.1638  186.6225  245.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9561  186.3704  246.9293 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9220  189.4606  244.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0398  189.5462  243.2740 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2107  188.2288  242.5112 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.8497  188.7761  241.1568 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.6287  189.6606  241.4821 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.9256  190.2020  242.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4673  190.8868  240.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3098  191.6971  240.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3659  193.0673  239.9276 P   0  0  1  0  0  0  0  0  0  0  0  0
  216.6014  194.2189  240.6965 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4070  192.6890  242.2266 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4221  194.4377  238.8731 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4266  193.5265  237.4981 P   0  0  0  0  0  0  0  0  0  0  0  0
  216.1682  192.7365  237.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6826  194.5781  236.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7524  192.6570  237.4456 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9438  189.5386  240.6503 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3211  187.1222  242.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6066  190.1970  245.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7475  189.4975  246.6892 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3825  191.2830  245.4500 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8201  191.3555  244.1068 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.9803  191.3836  243.0111 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0603  189.2813  250.5115 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1732  188.1777  247.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4391  188.9032  248.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7501  194.0890  235.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5077  193.2719  237.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.1940  190.2346  241.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6101  186.3536  242.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.2170  191.1482  246.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5541  189.1616  251.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9737  187.9067  248.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  6  0  0  0
  4  5  1  0  0  0  0
  4 37  1  1  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 33  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  1  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  1  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 40  1  0  0  0  0
 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 44  1  0  0  0  0
 35 36  3  0  0  0  0
 37 45  1  0  0  0  0
 38 46  1  0  0  0  0
M  CHG  1  35   1
M  END
>  <CHROM.1>
179.93739898,-178.22987620,-177.67409549,-55.40608463,158.11670412,63.51082433
176.85826595,-53.67294501,-20.54091898,48.70636385,218.63229723,190.42803605
243.28684242,1.70242843,0.65260906,-1.17140277

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444716/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.98207

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.247368

>  <SCORE.INTRA>
-12.3821

>  <SCORE.INTRA.DIHEDRAL>
-14.2212

>  <SCORE.INTRA.DIHEDRAL.0>
19.6972

>  <SCORE.INTRA.POLAR>
-0.185466

>  <SCORE.INTRA.POLAR.0>
-0.830052

>  <SCORE.INTRA.REPUL>
0.0280507

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.78113

>  <SCORE.INTRA.VDW.0>
4.56866

>  <SCORE.INTRA.norm>
-0.325844

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
-0.0784755

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020734

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 58  0  0  0  0  0  0  0  0999 V2000
  192.3595  222.1445  256.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0889  222.9263  257.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1755  222.5135  258.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4204  221.3518  258.2187 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5557  220.6520  257.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4176  220.9850  256.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3746  220.2085  254.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3501  220.0728  254.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1954  219.6108  254.4354 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4632  220.8649  259.2432 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.9797  221.1191  258.8896 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.2813  220.0859  259.7659 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.2664  218.9059  259.7266 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.5906  219.4532  259.5336 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2001  217.9782  260.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2576  217.0413  260.8643 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6889  216.2135  262.1656 P   0  0  1  0  0  0  0  0  0  0  0  0
  188.7407  215.1742  262.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0587  215.5250  261.6829 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2100  217.2875  263.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1529  216.9547  264.4345 P   0  0  1  0  0  0  0  0  0  0  0  0
  191.4055  218.0586  265.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4154  215.7019  265.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5045  216.2708  263.8494 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5435  217.2038  263.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3372  218.1898  262.4072 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.5473  219.4093  262.9129 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.8543  220.4848  261.8886 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2959  220.1156  261.4753 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.5651  218.7461  261.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6475  220.3004  260.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5312  221.2338  259.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5983  221.2226  258.2904 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7076  220.2435  257.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2970  219.7765  256.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3939  218.7711  256.5869 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9006  218.2882  257.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1927  218.6717  259.0084 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1238  219.6446  259.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7726  220.2930  255.4430 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8525  220.4790  260.8762 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0126  219.8400  264.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0509  220.5976  261.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6251  220.8666  257.5229 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3548  219.6446  254.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.1852  219.0469  253.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6832  215.4238  262.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3164  214.9510  264.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0614  220.3731  254.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3925  221.0793  255.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9682  219.6941  260.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6546  219.2450  264.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.5631  219.9468  261.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8570  219.9453  257.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10  4  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  6  0  0  0
 12 13  1  0  0  0  0
 12 43  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  1  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  1  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  1  0  0  0
 26 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  1  0  0  0
 28 29  1  0  0  0  0
 28 41  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  1  6  0  0  0
 31 39  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 40 49  1  0  0  0  0
 40 50  1  0  0  0  0
 41 51  1  0  0  0  0
 42 52  1  0  0  0  0
 43 53  1  0  0  0  0
 44 54  1  0  0  0  0
M  END
>  <CHROM.1>
103.99073336,29.23789421,56.97250367,176.95517545,-172.87064857,163.30573865
70.31582089,147.54522926,-159.56740682,-172.56315669,58.53594000,91.34780761
-68.17311353,84.76034182,-77.88870525,-72.89928377,111.74685769,-140.87591945
191.48527472,219.12503056,260.10599266,-1.40452546,0.12328716,2.03242428

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444717/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.95582

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.395455

>  <SCORE.INTRA>
-19.3558

>  <SCORE.INTRA.DIHEDRAL>
-5.32592

>  <SCORE.INTRA.DIHEDRAL.0>
22.0704

>  <SCORE.INTRA.POLAR>
-2.70144

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0.010696

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.56145

>  <SCORE.INTRA.VDW.0>
-4.89399

>  <SCORE.INTRA.norm>
-0.439905

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
-0.0444505

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010860

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  199.3485  215.8862  247.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7807  217.2445  247.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0606  217.9880  248.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7189  217.5798  249.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2207  217.3545  249.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6754  216.1013  249.0649 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7561  216.1864  247.4719 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8875  214.9662  247.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6828  215.3161  247.8528 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.1415  216.0270  249.0971 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6096  216.8032  247.9239 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.7684  217.3533  247.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3877  215.9363  250.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3202  214.8239  249.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0697  217.7246  245.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2788  216.9940  244.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3502  217.1623  245.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  1  0  0  0
  7 12  1  6  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  1  0  0  0
 11 12  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
72.88488603,-114.16030853,68.73309094,-63.52555572,60.34012072,196.27512891
216.51237810,248.01862637,-0.45122335,0.26115313,1.57090613

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444718/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.80134

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-2.59866

>  <SCORE.INTRA.DIHEDRAL>
-1.35602

>  <SCORE.INTRA.DIHEDRAL.0>
2.42336

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.92065

>  <SCORE.INTRA.VDW.0>
0.557361

>  <SCORE.INTRA.norm>
-0.162416

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.425084

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000750

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  195.9984  192.2720  239.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7558  193.7270  239.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0279  194.4915  239.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1418  193.4555  238.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5045  192.0756  239.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8371  193.6102  237.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2521  193.4882  237.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0339  193.6585  236.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4286  193.9811  235.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0384  194.0929  235.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2253  193.8828  236.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8974  194.0009  235.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1367  192.8306  235.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6052  191.8830  234.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4212  190.8904  234.8543 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7618  190.8292  236.2136 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1741  192.0756  233.3274 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6503  191.2339  236.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8237  192.5402  232.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7049  191.2679  232.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
136.99350216,-79.15994384,-61.11136278,92.64491306,100.31258256,-101.26815655
197.77615251,192.96899988,236.69426678,1.67112930,0.38070665,1.30416560

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444719/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56172

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-3.83828

>  <SCORE.INTRA.DIHEDRAL>
-0.308447

>  <SCORE.INTRA.DIHEDRAL.0>
7.5224

>  <SCORE.INTRA.POLAR>
2.53663e-05

>  <SCORE.INTRA.POLAR.0>
-2.53663e-05

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.68414

>  <SCORE.INTRA.VDW.0>
-0.765524

>  <SCORE.INTRA.norm>
-0.225781

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.385984

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  214.7004  185.1566  246.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3877  186.1712  245.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9629  186.5926  244.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8463  185.9999  243.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1572  184.9852  244.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5859  184.5667  245.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4326  186.4686  242.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4505  185.9284  242.0036 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3346  187.7406  241.7143 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.95366466,214.01257089,186.23677074,243.70896515,-1.42734064,-0.63554570
-1.01925175

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444720/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38414

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.0158625

>  <SCORE.INTRA.DIHEDRAL>
-0.000108791

>  <SCORE.INTRA.DIHEDRAL.0>
0.000254276

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0158081

>  <SCORE.INTRA.VDW.0>
0.0116183

>  <SCORE.INTRA.norm>
-0.0017625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.709349

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.144822

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  201.3453  214.7341  256.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5475  215.7150  257.6313 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3963  216.2617  258.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1874  216.1157  259.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0506  216.6588  260.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1057  217.3580  259.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3177  217.4538  257.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4673  216.9532  257.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1136  218.2270  259.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4865  219.1880  259.2931 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3926  219.7261  259.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7118  219.0919  260.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5761  219.7047  261.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2497  221.0105  261.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9423  221.6353  260.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9671  220.9544  259.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9891  221.9979  262.1001 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.2954  217.9439  261.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6388  217.7812  261.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6353  216.7622  262.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2572  216.5238  261.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5686  215.5800  262.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2459  214.8388  263.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5968  215.0837  263.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2799  216.0462  263.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
121.22440858,159.83058096,14.97232425,195.56045863,218.42570204,260.67306920
-0.29710243,0.62024187,-0.43110996

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444721/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85901

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-1.54099

>  <SCORE.INTRA.DIHEDRAL>
0.289233

>  <SCORE.INTRA.DIHEDRAL.0>
5.18448

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.68561

>  <SCORE.INTRA.VDW.0>
2.46615

>  <SCORE.INTRA.norm>
-0.0616397

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.27436

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005437

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  190.2547  201.0754  262.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2413  202.4706  262.1986 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.1743  202.8728  261.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2242  204.2040  260.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3067  205.1517  261.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3320  204.6716  262.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3183  203.3383  262.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3543  206.5860  260.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3340  207.0640  260.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4125  208.4165  259.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5326  209.2992  260.2629 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.5445  208.8831  261.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4427  207.5350  261.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6532  210.7371  259.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  2   2   1  11   1
M  END
>  <CHROM.1>
-0.05037635,190.36859432,205.87971429,261.20922125,-1.62062847,0.65009109
-0.24518718

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444722/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.07563

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.324371

>  <SCORE.INTRA.DIHEDRAL>
-1.31089

>  <SCORE.INTRA.DIHEDRAL.0>
1.31094

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.331074

>  <SCORE.INTRA.VDW.0>
-0.0961461

>  <SCORE.INTRA.norm>
-0.0231694

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.433973

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.072710

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 26  0  0  0  0  0  0  0  0999 V2000
  193.1643  209.8939  246.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3979  209.0517  247.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6673  209.8762  246.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9098  209.0386  247.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0434  208.7181  248.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2712  207.8615  248.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4150  207.5299  250.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6527  206.6857  250.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8374  206.3152  252.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1018  205.4925  252.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2343  205.1578  253.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4048  204.3901  253.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5448  204.2409  255.3556 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0296  205.5752  255.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3067  206.0099  255.4936 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7461  207.2515  256.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1042  207.7003  255.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1284  207.8731  254.1988 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.4878  208.8618  256.1117 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.0542  206.7727  255.8361 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.2874  203.8042  255.9337 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7953  202.2410  255.3794 P   0  0  1  0  0  0  0  0  0  0  0  0
  200.4023  201.8771  256.8158 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5195  202.9530  254.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3033  200.6778  254.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2673  199.6321  254.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7608  203.8007  254.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  1  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.17459007,-69.57458780,178.97823625,-179.86294448,-179.58635362,-179.47614041
-179.04001308,-179.53174386,-179.46391917,172.80860649,-74.51733595,-61.51115767
63.16382770,-179.82329659,-179.24074758,59.11810858,136.87895096,39.57088260
-45.25804002,201.01400623,205.80269746,253.14558051,-2.47246271,0.53082129
2.59792074

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444723/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.4294

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.9

>  <SCORE.INTRA>
-7.97062

>  <SCORE.INTRA.DIHEDRAL>
-1.8012

>  <SCORE.INTRA.DIHEDRAL.0>
7.4148

>  <SCORE.INTRA.POLAR>
-0.999535

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.6716

>  <SCORE.INTRA.VDW.0>
0.663719

>  <SCORE.INTRA.norm>
-0.306562

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.593438

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022516

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  205.5741  207.5662  244.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3410  206.6807  243.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1012  206.0480  243.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0809  206.2930  244.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3085  207.2288  245.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5540  207.8562  245.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3225  207.4597  246.5487 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0026  206.6128  247.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7899  206.1623  248.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6558  206.2887  247.6707 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6781  206.6383  246.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8739  207.4102  245.8254 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3105  206.1195  246.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2397  206.9298  246.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9259  206.5847  246.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6662  205.4024  247.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7229  204.5617  247.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0370  204.9198  247.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0307  204.0962  247.9522 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.4381  208.0632  245.8638 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.5692  205.3416  244.3810 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.7628  204.1288  245.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6660  203.3233  245.7401 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.8143  203.3061  245.4640 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.0634  208.4345  246.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4285  205.7140  248.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
103.42784111,74.33904208,54.30478865,146.28886366,178.77188269,200.78618865
205.93143131,246.14584522,0.09506957,0.31080730,-0.05962527

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444724/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.59293

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-2.80707

>  <SCORE.INTRA.DIHEDRAL>
-0.58596

>  <SCORE.INTRA.DIHEDRAL.0>
6.57096

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.51409

>  <SCORE.INTRA.VDW.0>
-2.01391

>  <SCORE.INTRA.norm>
-0.116961

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.316372

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000213

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 37  0  0  0  0  0  0  0  0999 V2000
  203.1977  221.7586  252.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7748  221.6781  252.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8891  221.0028  251.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4606  220.9254  252.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5817  220.2453  251.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1542  220.1699  251.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2759  219.4891  250.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8487  219.4148  251.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9699  218.7366  250.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5427  218.6623  250.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6641  217.9830  249.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9700  216.4984  249.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0939  215.8198  248.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4095  214.3376  248.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5605  213.6538  247.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9273  212.1833  247.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3023  212.0558  247.0766 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6878  210.6730  247.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1935  210.5232  246.7313 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9844  211.1205  247.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8970  212.5053  248.1402 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4617  213.5065  247.0468 P   0  0  1  0  0  0  0  0  0  0  0  0
  194.2475  213.7578  246.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8895  214.5537  248.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5894  214.0057  245.9446 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5717  213.0264  244.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9414  211.5876  245.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8847  210.8007  243.7462 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.4934  210.8808  243.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9102  211.3401  242.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2165  209.3638  244.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5411  209.1121  246.5145 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0410  208.5486  245.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3411  209.1598  244.5628 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3699  207.2222  245.1989 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9367  206.4845  244.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6629  214.2753  248.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8995  206.7428  245.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  6  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
M  CHG  1  28   1
M  END
>  <CHROM.1>
-179.77547038,-179.75604452,-179.94615060,-179.95380234,-179.96329809,179.88405658
-179.99890906,-179.95156355,72.44599549,-179.82618117,179.42789691,-178.68110935
177.81192951,-61.08864567,178.29535729,-176.24945136,65.53226596,-66.71506152
68.82924249,-64.19050279,93.59511608,80.19010917,68.45816613,-62.64191655
-178.82006492,-58.51240544,-0.01850448,195.26387970,214.16108328,247.72475507
-1.26462134,-0.14207658,-2.54763163

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444725/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.2328

>  <SCORE.INTER>
31.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
26

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.872222

>  <SCORE.INTRA>
-13.1672

>  <SCORE.INTRA.DIHEDRAL>
-9.59037

>  <SCORE.INTRA.DIHEDRAL.0>
12.6418

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.37202

>  <SCORE.INTRA.VDW.0>
6.7007

>  <SCORE.INTRA.norm>
-0.365756

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.506467

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008835

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 33  0  0  0  0  0  0  0  0999 V2000
  196.6816  212.1239  259.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9251  211.9142  260.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0105  211.1473  261.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9207  212.7165  259.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1703  212.6223  260.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1765  213.6249  259.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7628  215.0739  260.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5738  215.4161  259.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9746  216.7834  259.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6715  216.8628  258.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6472  216.1110  259.0931 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7042  215.4157  260.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5593  215.8008  261.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6244  217.8395  257.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7661  217.3028  256.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7420  216.2106  255.8007 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.0353  214.8483  256.4584 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1866  213.8402  255.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3470  214.3581  254.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1827  213.6448  253.2622 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8293  212.3361  253.6364 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8074  211.4271  253.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7960  215.8213  254.2915 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.9216  216.6431  253.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4205  218.0733  253.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7427  218.1502  252.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8928  218.4208  251.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7373  217.9191  253.3656 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0406  218.0150  252.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4728  214.6843  256.3289 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2431  213.6288  256.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8632  212.5316  257.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6660  213.9772  256.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
179.36864594,-176.28261221,66.22968849,-71.11343762,173.21254987,-169.87641672
65.46861752,101.32924445,121.43717489,56.45281954,-73.33689166,-174.03934591
-119.06269980,69.59716494,67.05112875,99.87255176,-177.86819282,5.06322356
197.89276702,214.97677520,256.75951620,1.05491411,1.25983626,2.49555404

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444726/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33097

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.709091

>  <SCORE.INTRA>
-17.069

>  <SCORE.INTRA.DIHEDRAL>
-17.0619

>  <SCORE.INTRA.DIHEDRAL.0>
25.2396

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.822888

>  <SCORE.INTRA.REPUL.0>
0.827147

>  <SCORE.INTRA.VDW>
-4.42364

>  <SCORE.INTRA.VDW.0>
-1.07992

>  <SCORE.INTRA.norm>
-0.517243

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.191848

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001583

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  224.3702  183.5427  234.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1327  184.3999  235.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2438  184.7350  236.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7632  185.5083  237.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8943  185.9718  237.4339 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6644  185.7967  238.4133 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.5040  186.5823  237.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5719  187.5960  237.1634 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3424  185.9893  238.2333 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5845  184.7957  238.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7327  183.9838  239.1459 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9504  184.6562  238.9764 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.5885  183.4092  239.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4237  186.2943  237.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
179.83310407,2.97727827,-62.33005189,223.33735333,185.13811946,237.57654783
0.05445394,-0.75198241,3.09674929

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444727/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.56802

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-2.83198

>  <SCORE.INTRA.DIHEDRAL>
-4.75302

>  <SCORE.INTRA.DIHEDRAL.0>
5.84058

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.455474

>  <SCORE.INTRA.VDW.0>
-0.287147

>  <SCORE.INTRA.norm>
-0.217845

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.428309

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043113

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  196.8025  206.8195  254.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2512  206.7390  255.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3109  206.9112  256.9353 N   0  3  2  0  0  0  0  0  0  0  0  0
  196.6954  206.8197  257.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8822  208.2948  257.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3344  208.4814  256.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1741  207.2413  256.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6645  206.0222  256.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2484  205.7517  257.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5445  207.4746  256.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4920  206.4844  256.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6839  207.0878  255.7150 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5193  208.4408  255.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1842  208.7259  255.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7514  210.0684  255.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6723  211.0754  255.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0023  210.7756  255.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4538  209.4511  255.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1470  212.7157  255.5839 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.5572  206.6010  255.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  9  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
179.89751652,179.82025054,200.79935937,208.58246175,255.99391914,2.49337501
-0.06442348,3.04708046

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444728/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.4976

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-3.9024

>  <SCORE.INTRA.DIHEDRAL>
-11.3463

>  <SCORE.INTRA.DIHEDRAL.0>
11.5437

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.77077

>  <SCORE.INTRA.VDW.0>
-0.219186

>  <SCORE.INTRA.norm>
-0.2168

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.194311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001690

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  193.2097  228.9301  248.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9908  229.7259  249.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7184  230.9296  248.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5851  231.6819  248.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7198  231.2366  249.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9825  230.0402  250.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1145  229.2877  250.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5931  231.9235  250.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3059  233.1078  249.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0597  233.6853  248.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2947  232.9541  248.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0550  233.3547  247.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6384  234.8682  248.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9661  234.7974  246.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6568  234.0812  247.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4990  234.8081  247.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2658  234.1821  247.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1642  232.7995  247.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2989  232.0554  247.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5333  232.6902  246.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8775  231.6869  246.4465 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.5539  236.1436  247.4236 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.0531  233.7199  250.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9293  232.9191  250.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7232  233.4995  250.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6397  234.8811  250.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7559  235.6865  250.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9627  235.1063  250.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1447  235.5970  251.3382 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-41.85157508,-97.87506920,65.46846626,91.21554867,187.58133745,233.08614405
248.81691050,-0.00985511,-0.58197815,1.72138458

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444729/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.33599

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-5.06401

>  <SCORE.INTRA.DIHEDRAL>
0.84937

>  <SCORE.INTRA.DIHEDRAL.0>
6.70869

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.4887

>  <SCORE.INTRA.VDW.0>
-1.60914

>  <SCORE.INTRA.norm>
-0.174621

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.149517

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000148

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  212.8581  192.8251  244.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5542  191.7422  243.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9727  192.2612  242.3659 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8462  193.3851  242.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1698  194.4858  243.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7377  193.9967  244.7109 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8826  193.8956  245.9317 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.7463  194.5923  247.5005 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.5593  193.4155  247.4947 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2020  193.7691  247.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0582  193.6304  249.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3934  192.3063  249.9336 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7239  191.9671  249.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8731  192.0611  248.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-89.20615091,61.29994365,-151.27083040,213.28887826,193.31623241,246.28817200
0.97443699,-0.86926932,-2.01953746

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444730/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.44834

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.95166

>  <SCORE.INTRA.DIHEDRAL>
-0.673309

>  <SCORE.INTRA.DIHEDRAL.0>
1.41793

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.615006

>  <SCORE.INTRA.VDW.0>
-0.898999

>  <SCORE.INTRA.norm>
-0.0679757

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.532024

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006830

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  213.6887  199.8842  256.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6945  199.8360  254.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8177  198.6971  254.1238 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0478  198.4727  253.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9298  199.2553  252.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2580  199.0696  251.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7172  198.1490  250.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8259  197.3658  250.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4468  197.4539  252.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5823  196.5107  252.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0784  195.9889  251.3240 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0490  196.1952  253.6575 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2218  195.5421  254.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0282  196.2745  255.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8260  196.2818  254.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6575  196.9119  255.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6379  197.5509  256.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8088  197.5635  257.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9986  196.9429  256.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7741  198.4404  258.7288 Br  0  0  0  0  0  0  0  0  0  0  0  0
  208.1025  196.8983  253.9885 Br  0  0  0  0  0  0  0  0  0  0  0  0
  215.1031  197.0707  254.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8757  196.7377  255.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9416  197.4513  255.6626 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3007  198.5148  254.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6330  198.9086  253.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5140  198.1828  253.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-178.62293885,-8.39701840,-158.00308686,61.43396475,-67.92699001,-165.49149194
79.88551415,211.85954735,197.65372507,254.76457792,-0.32433259,0.07169771
1.41431991

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444731/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.88027

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-8.51973

>  <SCORE.INTRA.DIHEDRAL>
-7.61955

>  <SCORE.INTRA.DIHEDRAL.0>
11.5507

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.70995

>  <SCORE.INTRA.VDW.0>
-1.0191

>  <SCORE.INTRA.norm>
-0.315545

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.143714

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000206

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  199.7967  204.5731  251.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9294  203.8160  251.4296 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0468  204.4411  250.7293 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9979  203.2649  250.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5837  202.1499  251.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1887  202.5109  251.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4111  201.7769  252.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6160  205.0626  249.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6236  204.4189  248.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2438  204.7687  247.4568 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.8188  205.8401  246.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8100  206.5590  247.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2228  206.1595  248.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3199  203.8711  246.6706 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0916  202.6357  246.1580 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1308  201.5161  247.2022 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7145  201.2256  247.7132 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0789  202.5024  248.2869 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0855  203.6055  247.3626 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6705  202.1773  248.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3237  202.2535  249.9378 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8400  201.7748  247.7836 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9814  200.7911  246.5590 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7318  200.3688  246.5938 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4254  202.9892  245.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9441  201.5647  248.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0313  200.7320  246.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7733  199.6625  247.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3285  203.6370  245.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 10  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  1  0  0  0
 16 17  1  0  0  0  0
 16 24  1  6  0  0  0
 17 18  1  0  0  0  0
 17 23  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
-35.09255635,-74.66589596,-61.57197363,178.76406638,-170.70289608,116.16407965
179.53265612,199.95019720,203.15435659,248.67736684,0.51219215,0.63022130
1.73826790

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444732/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.3058

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-5.0942

>  <SCORE.INTRA.DIHEDRAL>
-6.46259

>  <SCORE.INTRA.DIHEDRAL.0>
9.61513

>  <SCORE.INTRA.POLAR>
-0.240813

>  <SCORE.INTRA.POLAR.0>
-0.463554

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.04414

>  <SCORE.INTRA.VDW.0>
-1.89255

>  <SCORE.INTRA.norm>
-0.203768

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.132232

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000513

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  191.2210  221.5506  259.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5820  220.0816  259.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4026  219.1545  259.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8723  217.7069  259.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8624  217.3863  260.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3555  216.1116  260.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0311  215.3034  259.4391 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4977  215.9499  261.3161 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8622  214.4764  261.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6218  216.7202  260.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5228  218.0820  260.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1200  218.6762  259.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1474  220.0658  259.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5698  220.8803  260.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9194  220.2857  261.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8911  218.8878  261.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6499  222.3584  260.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2483  222.7796  259.4241 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0853  223.1201  261.4186 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0077  224.5370  261.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4741  225.1699  262.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3401  226.5806  262.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7577  227.3479  261.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3093  226.7245  260.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4238  225.3330  260.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6520  227.4382  263.9656 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.0891  224.4251  263.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7752  222.6095  262.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-177.97161485,63.50851012,-176.98333442,2.51150210,167.38451889,66.23642240
-139.65895345,-2.05557110,-175.96878016,193.34729711,221.24793892,261.02216448
1.62203307,0.08404679,-2.93159686

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444733/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.61183

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-10.7882

>  <SCORE.INTRA.DIHEDRAL>
-18.0979

>  <SCORE.INTRA.DIHEDRAL.0>
21.7211

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.73922

>  <SCORE.INTRA.VDW.0>
0.569147

>  <SCORE.INTRA.norm>
-0.399562

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.133772

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  202.3943  189.9717  245.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6149  191.2548  244.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8772  191.9496  244.8163 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0354  191.0403  244.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8165  189.7707  245.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5593  188.9960  245.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7329  188.2805  243.9283 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7626  188.7476  242.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8098  187.6256  241.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8643  187.6893  240.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8824  188.9605  239.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8211  190.1072  240.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7397  190.0033  242.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9693  189.1341  238.0982 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.7613  186.4862  242.5372 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6660  186.8550  243.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5320  186.0708  244.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1015  193.0358  243.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3102  194.3018  244.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7028  194.8975  245.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4179  193.9694  246.5859 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3752  193.2330  247.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7517  193.3006  247.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4411  192.3904  248.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7477  191.4446  248.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3507  191.3918  248.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6962  192.2971  248.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3345  192.4431  247.8442 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1384  193.4550  246.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0658  193.7847  246.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7284  185.5295  242.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5880  191.8856  248.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
80.63809877,49.84919312,61.27846031,-62.23896081,106.32981836,203.78801283
190.68512165,244.36489040,-1.52379699,1.44244769,-2.22402743

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444734/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.62756

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-4.77244

>  <SCORE.INTRA.DIHEDRAL>
-0.055914

>  <SCORE.INTRA.DIHEDRAL.0>
5.77772

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.74448

>  <SCORE.INTRA.VDW.0>
-0.943877

>  <SCORE.INTRA.norm>
-0.159081

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.187585

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  201.5900  195.6287  244.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5313  195.3722  245.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0009  193.9559  245.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1631  193.4519  244.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2051  194.2771  244.2419 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2315  191.8282  244.1486 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.3399  192.0501  242.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0151  193.3048  241.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7574  193.4866  241.6338 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3714  194.5837  240.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0293  194.7111  240.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6077  195.7661  239.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5282  196.7115  239.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8673  196.6043  239.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2777  195.5387  240.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6895  195.3670  240.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4921  196.2388  240.4686 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0113  194.1837  241.4814 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3891  193.9587  241.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8057  193.6489  243.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1660  193.5538  243.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1120  193.7492  242.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7094  193.9918  241.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3490  194.0818  240.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7872  193.7078  242.7555 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.8911  194.0685  243.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-88.21184865,-43.36791082,-45.83374315,-48.77467983,203.84657669,194.22864871
242.30659510,2.95774169,0.09338689,-1.10099393

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444735/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.73004

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.66996

>  <SCORE.INTRA.DIHEDRAL>
2.11823

>  <SCORE.INTRA.DIHEDRAL.0>
10.4233

>  <SCORE.INTRA.POLAR>
-0.588249

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.729032

>  <SCORE.INTRA.VDW.0>
-2.21534

>  <SCORE.INTRA.norm>
-0.0667985

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.309201

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  186.7451  218.3672  252.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9620  218.5745  254.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5745  219.5221  254.5369 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3727  217.5251  254.7568 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5083  217.5309  256.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7954  217.4354  256.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9112  217.3590  258.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7678  217.3217  258.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5029  217.3585  258.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3733  217.4609  256.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9004  217.2553  260.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0630  217.2223  260.9771 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1113  217.1288  262.3453 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3644  217.0574  262.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4101  217.1668  262.2977 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4259  216.8438  264.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5477  216.6860  265.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3685  216.5631  266.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6644  216.5904  266.2581 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6653  216.8027  264.9456 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0163  216.5727  268.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6215  216.5492  268.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1360  216.3500  269.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0888  216.0975  270.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8800  215.7562  272.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3171  215.4455  272.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1924  215.6901  271.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4342  216.0989  270.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9615  216.4372  269.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3707  216.6099  269.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1515  216.1790  270.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5668  215.5637  271.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8723  217.4338  255.8768 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7840  216.3457  256.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2596  217.0574  262.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5499  216.9425  264.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 36  1  0  0  0  0
 21 29  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
178.23552390,-62.70994801,-126.18370823,-0.44261528,178.28284292,-0.88707215
8.06340255,188.57249169,216.93550520,263.08016235,1.73494260,0.03202605,-1.45711245

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444736/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.35985

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-3.04015

>  <SCORE.INTRA.DIHEDRAL>
-1.75105

>  <SCORE.INTRA.DIHEDRAL.0>
8.55197

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.16462

>  <SCORE.INTRA.VDW.0>
0.846092

>  <SCORE.INTRA.norm>
-0.0894161

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.27529

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  223.1978  177.4219  243.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1162  177.7782  244.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4738  178.9560  243.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8722  179.5424  245.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1726  180.7384  244.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0486  181.3455  243.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6244  180.7632  242.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3668  179.5791  242.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4901  181.3110  241.2512 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7610  182.4443  240.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0940  183.1368  241.6824 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8453  182.8060  239.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2168  183.1626  239.0362 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8734  184.3006  239.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5860  185.5463  239.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1704  186.7098  239.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0449  186.6370  240.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3430  185.4003  241.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7670  184.2291  240.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2315  182.5985  241.5541 Br  0  0  0  0  0  0  0  0  0  0  0  0
  222.1908  181.9259  238.4247 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.5567  182.3936  238.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8657  180.7097  239.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5454  181.7785  236.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9012  180.7755  240.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
-153.11704634,-1.96749222,-63.81742393,-62.37548255,-83.45871060,-169.75949698
221.86478040,182.14099139,241.05719909,-2.60981810,1.44123809,0.30631173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444737/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.72472

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-4.67528

>  <SCORE.INTRA.DIHEDRAL>
0.613659

>  <SCORE.INTRA.DIHEDRAL.0>
4.309

>  <SCORE.INTRA.POLAR>
-0.990355

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.6149

>  <SCORE.INTRA.VDW.0>
-2.27761

>  <SCORE.INTRA.norm>
-0.194803

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.280197

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  222.2338  183.2007  249.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6076  184.2854  248.2425 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.7215  185.2007  248.7425 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.6736  184.5508  249.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6702  183.0428  249.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8313  182.3004  249.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7712  180.9063  250.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5511  180.2486  249.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3865  180.9800  249.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4489  182.3720  249.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1286  186.6836  249.4003 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.2541  186.3455  250.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2721  187.5479  249.5882 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1468  187.3700  248.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9684  188.0610  248.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2155  188.6085  247.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6545  188.5487  246.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8820  187.9010  245.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6129  187.3004  246.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8684  189.1437  244.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6378  189.7859  245.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8753  190.3233  244.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3356  190.2501  242.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5571  189.6415  242.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3096  189.0896  243.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9924  183.6810  246.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4250  182.7233  246.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0124  184.3324  246.2799 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3263  185.0438  246.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  6  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
39.18244891,59.44399004,143.30811878,-0.54549634,3.17374632,222.33847632
185.88104864,247.59192745,0.30512916,1.03193558,-2.54735587

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444754/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.17959

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-1.22041

>  <SCORE.INTRA.DIHEDRAL>
-1.96786

>  <SCORE.INTRA.DIHEDRAL.0>
5.12336

>  <SCORE.INTRA.POLAR>
0.0327328

>  <SCORE.INTRA.POLAR.0>
-0.483707

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.347778

>  <SCORE.INTRA.VDW.0>
-1.511

>  <SCORE.INTRA.norm>
-0.0435862

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.292128

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011995

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  188.5990  228.1430  242.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3921  228.2509  244.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4834  229.4804  244.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3180  229.6286  246.2220 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0350  228.4856  246.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9347  227.2599  246.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1146  227.1147  244.9179 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8255  228.5250  248.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5761  227.5277  249.0316 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9624  229.7782  248.8770 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6876  229.8673  250.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8118  229.2486  251.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7477  229.9468  251.5058 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6797  227.8817  251.3384 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5535  227.1014  252.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3835  225.7151  252.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2941  224.9131  252.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3738  225.4861  253.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4958  226.8731  253.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5912  227.6666  252.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3517  224.5862  254.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1957  223.3666  254.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5362  225.1490  255.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9714  227.3814  250.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.58303395,176.43740654,73.33490414,91.01578182,-174.15855686,0.96759018
189.42963026,227.49051419,249.89056408,-2.37576950,-1.04435293,1.19598600

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444755/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.29038

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-2.10962

>  <SCORE.INTRA.DIHEDRAL>
-0.911719

>  <SCORE.INTRA.DIHEDRAL.0>
3.2392

>  <SCORE.INTRA.POLAR>
-0.539009

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.178865

>  <SCORE.INTRA.VDW.0>
1.13589

>  <SCORE.INTRA.norm>
-0.0917228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.403929

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  207.5307  203.5928  256.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6383  202.5273  256.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2763  202.0466  255.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8077  202.6279  254.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7098  203.6950  254.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0704  204.1734  255.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3175  202.2350  252.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5696  201.1310  252.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0603  200.7591  251.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3670  199.7521  251.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3887  201.5528  250.1462 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1376  202.5863  250.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6060  202.9817  251.5669 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6028  203.4755  248.9072 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.7093  205.0389  249.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9847  205.6213  250.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9353  206.3738  250.7158 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1238  205.1714  251.5066 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1793  205.5810  252.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4454  204.8588  253.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5297  205.1967  255.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3174  206.2649  255.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0181  207.0119  254.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9418  206.6745  253.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6649  204.2704  256.3219 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.2942  203.7332  251.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5269  204.3786  251.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-13.87548194,112.36536936,51.30566012,88.67060270,-167.05121570,205.81376357
203.81260009,252.89119619,2.33191690,1.46280383,0.56072832

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444756/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.99944

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-6.40056

>  <SCORE.INTRA.DIHEDRAL>
-5.1941

>  <SCORE.INTRA.DIHEDRAL.0>
9.12625

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.80351

>  <SCORE.INTRA.VDW.0>
-1.91159

>  <SCORE.INTRA.norm>
-0.256022

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.159978

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  198.1365  219.0888  259.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4378  217.7973  258.0106 Si  0  0  0  0  0  0  0  0  0  0  0  0
  198.0492  216.1093  258.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5813  217.8632  258.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1740  218.3027  256.0522 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.1605  217.3612  254.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2700  215.9041  255.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3568  214.9390  255.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0773  213.7297  255.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3826  214.0286  255.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5129  215.3468  255.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-164.77748758,-58.43549395,117.95836062,197.54630895,216.74514381,256.60813999
1.62888417,1.31855938,0.61173488

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444757/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.55964

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-1.84036

>  <SCORE.INTRA.DIHEDRAL>
-2.01354

>  <SCORE.INTRA.DIHEDRAL.0>
2.44429

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.833588

>  <SCORE.INTRA.VDW.0>
-0.744581

>  <SCORE.INTRA.norm>
-0.167305

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.596331

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002313

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  200.7005  204.9110  252.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5373  206.1655  253.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6301  207.3964  253.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3785  206.0564  254.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4319  207.1666  254.5448 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.5300  207.0112  253.6012 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6805  206.2384  254.1137 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.4129  205.8081  255.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2053  207.0018  256.1793 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.0297  206.9579  254.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0925  206.3717  253.9410 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9195  208.2596  254.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1366  209.0216  254.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4890  209.3063  253.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8873  210.3095  255.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5468  207.4043  252.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5059  207.1694  251.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4595  208.1203  251.8529 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4445  209.5814  251.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8712  210.1270  253.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9586  211.6523  253.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8638  212.1715  252.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4296  211.6453  250.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3566  210.1193  250.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8413  207.6827  251.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
170.44271023,-71.05993718,-146.84501575,-176.76166817,73.32008738,93.51674626
-50.61917032,204.72097448,208.10700944,253.48121380,2.63089615,0.32618854
2.59224015

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444758/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.78806

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-2.61194

>  <SCORE.INTRA.DIHEDRAL>
-1.55067

>  <SCORE.INTRA.DIHEDRAL.0>
6.2186

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.8366

>  <SCORE.INTRA.VDW.0>
-2.40275

>  <SCORE.INTRA.norm>
-0.108831

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.407836

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000579

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  214.1157  189.7322  239.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4330  190.8952  240.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3729  190.8542  241.8431 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8370  189.5312  241.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8867  188.9658  242.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4329  187.6713  242.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8981  186.9791  241.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8084  187.5795  240.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2595  188.8545  240.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5611  191.8275  243.1961 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.5072  191.1683  244.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7901  193.1999  242.7850 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9838  191.7887  244.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8435  192.2973  243.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5845  192.1032  243.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4392  191.3774  245.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5978  190.9020  245.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8628  191.0905  245.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1336  191.1839  245.6714 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9560  190.5125  246.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6297  190.2455  247.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4024  190.6053  246.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3168  190.1319  247.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7522  189.4302  248.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4598  189.3378  248.7160 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-78.55943690,-63.10142001,179.70501730,0.24992793,210.64482547,190.38984444
244.20728338,0.33176856,-0.60602012,-2.55952008

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444759/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09062

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.30938

>  <SCORE.INTRA.DIHEDRAL>
-2.66832

>  <SCORE.INTRA.DIHEDRAL.0>
4.0075

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0247785

>  <SCORE.INTRA.VDW.0>
-1.99717

>  <SCORE.INTRA.norm>
-0.0523753

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.323625

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  191.8446  224.3071  244.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4621  222.9631  244.9188 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1625  222.6918  244.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3794  223.4943  244.1219 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8351  221.2596  244.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7543  221.0841  246.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4221  219.6495  246.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3561  219.5248  248.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0238  218.0975  248.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9648  217.9916  250.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6381  216.5938  250.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5540  216.3011  251.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2628  214.9123  251.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2791  214.6428  252.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
0.41660101,72.09764001,179.88578264,179.86072822,179.96122378,179.88815824
179.96461034,-120.19372586,179.46237331,189.22978062,219.60855189,247.88125837
-1.23270373,0.44939669,2.22961887

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444760/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.9366

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02857

>  <SCORE.INTRA>
-0.463386

>  <SCORE.INTRA.DIHEDRAL>
0.160128

>  <SCORE.INTRA.DIHEDRAL.0>
1.09786

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.54345

>  <SCORE.INTRA.VDW.0>
1.51857

>  <SCORE.INTRA.norm>
-0.033099

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.995472

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.036775

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  200.6284  212.5119  248.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8357  212.6655  248.7590 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.5599  213.2627  250.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7643  214.4250  250.8964 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3343  215.5479  250.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5943  215.6875  248.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2866  216.8021  248.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6336  217.8457  249.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2653  217.7775  250.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6289  216.6309  251.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6098  219.3684  248.7265 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.7170  216.7885  246.7623 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.8442  212.0468  251.4217 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.7789  212.8357  252.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
73.69072399,-179.53822593,11.16804762,200.05597204,216.02208166,249.24134740
-2.70028311,1.11404899,0.81624561

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444761/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.84292

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-0.557084

>  <SCORE.INTRA.DIHEDRAL>
-1.418

>  <SCORE.INTRA.DIHEDRAL.0>
5.27235

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.151914

>  <SCORE.INTRA.VDW.0>
-1.05879

>  <SCORE.INTRA.norm>
-0.0428527

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.603301

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 28  0  0  0  0  0  0  0  0999 V2000
  187.1194  201.1049  258.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5505  201.1870  258.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4556  201.9459  257.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9144  202.0479  258.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8704  202.8226  257.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6048  204.3308  257.0864 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.6731  205.0454  256.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5589  206.5861  256.1366 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.5734  207.3772  255.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3818  208.8839  255.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0397  209.7109  255.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2665  209.1792  254.4273 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6630  210.5025  254.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5082  210.7900  253.5330 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8848  210.7870  252.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4408  209.5460  251.6035 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4321  209.8456  253.7169 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1841  210.7467  256.0128 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5113  212.0923  256.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1073  212.1366  257.6663 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2465  209.7151  256.4184 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2430  206.9487  255.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3412  204.4825  256.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0603  209.2454  252.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.2360  209.8247  254.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6728  212.9955  257.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0046  209.8915  257.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1612  207.9180  255.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2178  205.4256  256.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  6  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  6  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <CHROM.1>
-179.36174032,-178.69245490,64.04623140,175.52754315,-173.24755648,-173.98800492
-179.17154896,177.73255287,175.24872877,103.44380896,160.40535067,173.41465912
-62.81765736,-179.23940527,58.91102018,48.72362597,-42.43480336,178.63324987
177.80675052,-179.41901191,191.06895335,207.36036681,255.82244927,1.75555176
-0.49411302,2.86409234

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444762/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.84796

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.843478

>  <SCORE.INTRA>
-23.248

>  <SCORE.INTRA.DIHEDRAL>
-18.6769

>  <SCORE.INTRA.DIHEDRAL.0>
26.3023

>  <SCORE.INTRA.POLAR>
-2.97732

>  <SCORE.INTRA.POLAR.0>
-0.761115

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.78664

>  <SCORE.INTRA.VDW.0>
1.31854

>  <SCORE.INTRA.norm>
-1.01078

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.167303

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001608

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  201.0158  208.9735  252.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3363  208.2005  252.2306 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4497  208.8783  251.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8572  208.4081  250.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0616  210.1572  251.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0698  210.7346  251.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6789  211.9283  251.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2883  212.5526  252.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2904  211.9819  253.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6779  210.7851  253.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7353  208.0131  253.6447 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8954  207.1468  253.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9569  207.6392  254.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-106.71680494,172.94298408,-179.95522806,203.73112756,209.72367628,252.27982692
2.82027981,-0.97459918,-2.06494629

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444763/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.61951

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-3.78049

>  <SCORE.INTRA.DIHEDRAL>
-2.0743

>  <SCORE.INTRA.DIHEDRAL.0>
3.19143

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.74334

>  <SCORE.INTRA.VDW.0>
2.80913

>  <SCORE.INTRA.norm>
-0.315041

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.384959

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013986

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  202.9237  203.8571  253.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7737  204.7515  254.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3986  205.0724  255.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1740  205.9436  256.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3595  206.5260  255.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8102  206.1005  254.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9896  205.2435  253.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1038  206.4915  253.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0196  208.0398  256.6380 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.4198  207.7432  258.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0342  208.5293  255.7196 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7910  209.2287  256.7366 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6840  209.0498  255.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9568  208.7587  254.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9110  208.4029  253.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6120  208.3095  254.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3084  208.6533  255.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3499  209.0770  256.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6355  207.8300  253.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2592  207.5621  252.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6639  207.0814  251.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9871  207.9388  251.9688 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.0271  210.4964  257.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9718  210.6213  258.1460 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1305  211.6923  257.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2576  211.9040  256.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5266  213.0930  255.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7134  214.1333  256.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6077  213.9702  257.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3003  212.7594  258.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6850  206.1928  257.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
63.98794169,-20.00168098,-46.70536651,-22.11528305,203.90022810,208.47260876
255.33846913,-1.77158486,-0.68838522,0.47334261

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444764/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.9972

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-4.4028

>  <SCORE.INTRA.DIHEDRAL>
-7.618

>  <SCORE.INTRA.DIHEDRAL.0>
19.7534

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.593804

>  <SCORE.INTRA.VDW.0>
-4.32778

>  <SCORE.INTRA.norm>
-0.142026

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.1612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000368

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  221.1256  194.9252  231.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5372  193.8543  231.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8307  192.8932  231.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7035  192.9969  233.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2909  194.0789  233.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0038  195.0388  233.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1806  194.2997  235.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5341  193.5577  236.2432 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7078  194.2356  237.7759 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.6576  195.5608  237.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0876  196.4890  237.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8370  195.4231  235.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6704  191.4187  234.1926 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-0.71225234,219.63513067,193.20313561,234.68056526,-2.15274548,1.02026733
1.30631409

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444765/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.07624

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-1.32376

>  <SCORE.INTRA.DIHEDRAL>
-4.29413

>  <SCORE.INTRA.DIHEDRAL.0>
4.30188

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.8233

>  <SCORE.INTRA.VDW.0>
-0.780397

>  <SCORE.INTRA.norm>
-0.101828

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.39048

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002911

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  219.4735  187.9404  240.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0406  187.9743  241.0808 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4732  189.2363  240.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3039  186.8512  240.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0012  186.4427  241.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0714  186.0444  242.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9890  184.8969  242.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2725  185.1439  243.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4845  185.9638  244.1297 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4406  184.6141  242.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4321  183.2063  241.9782 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2617  182.7587  241.2048 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.1149  182.5164  242.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4769  183.5696  242.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3771  183.2804  243.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9463  181.9662  243.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6029  180.9246  243.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6712  181.1924  242.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1133  179.2990  243.4975 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.9572  183.5295  239.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9925  184.1138  239.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7325  184.8658  238.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4281  185.0069  237.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3946  184.3634  238.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6618  183.6201  239.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6240  183.0216  239.9760 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.5162  182.6155  242.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
155.31066870,-57.45278166,-59.37751236,102.55185242,30.93546630,217.13039451
184.09854317,241.51729001,-0.07870420,1.22505997,1.23003375

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444766/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.38916

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.01084

>  <SCORE.INTRA.DIHEDRAL>
0.997182

>  <SCORE.INTRA.DIHEDRAL.0>
2.50606

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.50943

>  <SCORE.INTRA.VDW.0>
-2.75121

>  <SCORE.INTRA.norm>
-0.07734

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.32266

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000276

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  206.5778  210.0754  251.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2061  210.3165  252.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3828  211.0958  253.6469 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2329  211.4165  254.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1120  210.9850  254.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5806  212.2919  255.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5460  211.6356  256.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2214  210.2283  256.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7692  209.0576  256.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4304  207.8332  257.1098 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8396  206.5132  256.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7025  205.8850  255.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8554  204.4939  256.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1718  203.7439  257.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3145  204.3711  257.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1548  205.7640  257.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3750  206.5520  258.6334 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5505  207.7739  258.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9817  208.9818  258.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2655  210.1689  258.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5701  211.4074  258.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0221  208.9894  259.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2261  208.9957  260.8006 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7081  209.0028  255.4221 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0680  208.6080  255.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7345  208.1010  254.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9687  207.4564  254.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5666  207.3239  255.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9494  207.8612  256.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7081  208.5058  256.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5946  207.7474  258.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6107  209.7495  254.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
178.89787712,8.16647899,-58.30753633,-50.37589684,100.43229441,112.73811841
155.23758309,205.99718897,208.56092407,256.41588741,-2.56088648,-0.58203629
2.38703080

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444767/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.44791

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-7.95209

>  <SCORE.INTRA.DIHEDRAL>
-4.96966

>  <SCORE.INTRA.DIHEDRAL.0>
8.31831

>  <SCORE.INTRA.POLAR>
-0.999835

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.06781

>  <SCORE.INTRA.VDW.0>
-1.64765

>  <SCORE.INTRA.norm>
-0.256519

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.143481

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000923

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  215.1973  186.9392  249.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0036  187.6931  249.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1894  187.2573  250.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1982  187.9198  252.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4214  187.4534  253.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5716  186.3715  252.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4863  185.7416  251.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3007  186.1765  250.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1421  185.5047  249.4092 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8742  186.2035  248.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5703  184.7186  251.6923 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8832  183.4713  251.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5221  188.0863  254.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2671  189.0324  254.6442 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
101.85911424,0.72933622,-135.75031675,-52.63716753,212.48277628,186.58565144
251.36747442,-1.82552614,0.77897176,1.14790749

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444768/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34782

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-3.05218

>  <SCORE.INTRA.DIHEDRAL>
8.01922

>  <SCORE.INTRA.DIHEDRAL.0>
1.97472

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.06179

>  <SCORE.INTRA.VDW.0>
7.3219

>  <SCORE.INTRA.norm>
-0.218013

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.453416

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000361

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  196.4129  207.8234  262.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3860  207.1676  261.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3269  205.7693  261.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2989  205.1284  259.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2337  203.6948  259.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1858  202.6700  260.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1151  201.3960  260.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0944  201.3944  258.6266 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.2070  203.1220  258.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2509  203.9290  257.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3015  205.3238  257.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3296  205.9278  258.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3881  207.3239  258.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4162  207.9370  260.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2295  203.4031  255.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1451  202.2086  255.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2190  204.3338  254.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1724  203.9763  254.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
1.43385336,-177.89253376,196.25197620,204.35786361,258.86986244,0.67024939
1.52375514,1.61601473

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444769/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.41312

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-2.98688

>  <SCORE.INTRA.DIHEDRAL>
-3.12273

>  <SCORE.INTRA.DIHEDRAL.0>
3.17345

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.42551

>  <SCORE.INTRA.VDW.0>
1.44257

>  <SCORE.INTRA.norm>
-0.175699

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.200772

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  205.6969  200.1965  246.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9137  200.8812  247.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4964  201.9679  248.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6800  202.6989  249.1525 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4292  203.5897  248.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2150  203.5620  250.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6202  202.7440  251.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6312  201.7855  251.9743 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3766  200.6612  251.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0293  199.1416  251.4222 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
179.37256558,69.70918368,64.01962258,58.85530465,-111.24645541,207.09200322
201.43640839,249.85977240,1.65996885,-1.28004571,-1.04243331

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444770/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.34143

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-2.05857

>  <SCORE.INTRA.DIHEDRAL>
-1.86641

>  <SCORE.INTRA.DIHEDRAL.0>
2.54838

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12537

>  <SCORE.INTRA.VDW.0>
0.523355

>  <SCORE.INTRA.norm>
-0.205857

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.834143

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001686

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  192.3577  204.7679  256.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6128  205.0988  255.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2291  204.9381  255.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5533  204.4592  256.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3099  204.1593  257.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7139  204.2923  257.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7023  203.6559  258.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8166  204.2538  259.6244 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0033  202.5119  258.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0705  204.3881  256.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4992  205.1202  255.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4155  203.4068  256.6557 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5854  202.1619  259.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.9531  202.7837  257.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-25.58388661,-120.96456799,-179.52319399,0.23309618,189.66808088,204.20393764
256.85110628,-0.75746249,0.16306304,1.94671359

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444771/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.68691

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-1.71309

>  <SCORE.INTRA.DIHEDRAL>
1.3868

>  <SCORE.INTRA.DIHEDRAL.0>
11.694

>  <SCORE.INTRA.POLAR>
-0.384573

>  <SCORE.INTRA.POLAR.0>
-0.615381

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09894

>  <SCORE.INTRA.VDW.0>
0.602605

>  <SCORE.INTRA.norm>
-0.142758

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.473909

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024777

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  200.4113  217.4073  257.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9358  217.0447  257.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2812  217.8608  256.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9248  217.6223  256.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0412  218.6914  256.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6752  218.4051  256.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2530  217.1049  256.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2042  216.1028  255.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5311  216.3488  256.0108 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8362  214.7290  255.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8155  213.7408  255.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4653  212.4494  254.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1299  212.1069  254.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1430  213.0714  254.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4954  214.3663  255.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9132  210.8276  254.2537 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8330  210.1429  254.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4435  220.0682  256.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6174  221.1240  256.6032 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4729  222.2097  256.7644 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7426  221.7085  256.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7817  220.4055  256.6844 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8254  222.6623  256.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1482  222.2287  256.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2224  223.0529  257.0479 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9672  224.3764  257.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6907  224.9121  257.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6077  224.0403  257.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-179.44902136,127.23050403,175.55775577,178.31084089,137.09630825,-178.88263239
196.74268556,217.97983592,256.17800484,-1.11244446,0.15145767,-3.02230068

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444772/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.14773

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-3.25227

>  <SCORE.INTRA.DIHEDRAL>
-3.54216

>  <SCORE.INTRA.DIHEDRAL.0>
9.13475

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0414487

>  <SCORE.INTRA.REPUL.0>
0.0414487

>  <SCORE.INTRA.VDW>
-1.27394

>  <SCORE.INTRA.VDW.0>
1.45014

>  <SCORE.INTRA.norm>
-0.116152

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.290991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001878

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  210.1856  191.7301  243.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3867  192.7362  242.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3531  193.0117  241.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6708  193.2477  240.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6533  193.6388  239.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3202  193.7410  239.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9832  193.4609  241.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0074  193.0982  242.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5934  193.5683  241.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5469  194.1351  241.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8538  194.8162  239.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1083  195.3812  238.7292 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2181  194.1669  241.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0946  193.6137  242.9126 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2019  194.7867  241.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8657  194.9211  241.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9380  195.4869  240.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5869  195.5896  241.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1673  195.1500  242.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0946  194.6228  243.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4353  194.5126  242.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9166  193.1785  239.8437 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6928  192.0157  240.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0171  190.7264  239.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1931  190.1544  238.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1518  190.3031  240.6354 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4303  189.1119  240.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3673  195.0839  240.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-139.80601800,48.28523851,-11.32594135,-3.95036756,-175.13398510,60.63125961
94.51280065,178.77139322,206.10873780,193.28473565,241.09396226,0.00677275
-0.33943665,1.95224930

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444773/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.32285

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-8.07715

>  <SCORE.INTRA.DIHEDRAL>
-12.5478

>  <SCORE.INTRA.DIHEDRAL.0>
19.1928

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.80324

>  <SCORE.INTRA.VDW.0>
4.07925

>  <SCORE.INTRA.norm>
-0.299154

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.197143

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000112

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  190.6663  213.5406  261.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3785  214.7151  262.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1530  215.4376  263.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3246  216.4644  263.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0932  216.3082  263.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1211  215.2404  262.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8119  217.0598  263.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7249  216.2414  263.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8648  215.4754  262.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6389  215.5599  262.8165 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5597  214.6413  261.9787 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8466  213.8947  261.0349 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5416  212.9872  260.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7520  212.8123  260.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7464  212.2099  259.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4069  211.2747  258.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7004  210.5624  257.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3372  210.7870  257.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6748  211.7194  258.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3751  212.4315  259.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5747  214.5575  261.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.8317  213.9420  261.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-111.40352871,-93.40995217,-126.48940819,-175.09615419,-179.84277131,187.14328033
214.00093663,261.11786851,-0.98746553,0.06990324,-2.36026429

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444774/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.075

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-4.325

>  <SCORE.INTRA.DIHEDRAL>
-0.747561

>  <SCORE.INTRA.DIHEDRAL.0>
5.22004

>  <SCORE.INTRA.POLAR>
-0.999977

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.551294

>  <SCORE.INTRA.VDW.0>
-1.19977

>  <SCORE.INTRA.norm>
-0.21625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.30375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  198.0476  201.8335  240.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8053  200.6923  239.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8988  199.7194  240.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2660  199.8793  242.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4903  201.0368  242.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3885  201.9952  241.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6573  201.2210  243.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1316  202.3078  244.5107 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3621  198.4991  243.3132 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.5445  199.2766  244.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6464  198.9490  245.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7508  199.5239  247.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7609  200.4370  247.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6374  200.8067  246.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5176  200.2740  245.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4688  200.7641  244.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0212  201.9843  243.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1510  202.2899  244.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8330  202.1256  245.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6754  202.2188  242.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
142.55710909,113.87944735,-39.69666234,125.64120694,98.46655540,-179.08629762
198.44556112,200.43861181,243.69650944,2.53048844,1.50716211,-2.35391498

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444775/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.79401

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-6.60599

>  <SCORE.INTRA.DIHEDRAL>
-0.640184

>  <SCORE.INTRA.DIHEDRAL.0>
6.54495

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.8859

>  <SCORE.INTRA.VDW.0>
-1.33911

>  <SCORE.INTRA.norm>
-0.388588

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.223177

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001234

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  211.9743  192.2290  237.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7829  193.3175  237.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1611  193.5329  238.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7215  192.6663  239.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8949  191.5728  239.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5330  191.3622  238.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3346  190.6873  240.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5368  189.3601  240.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0558  188.4577  241.3979 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3212  188.9504  242.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0245  190.3065  242.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5038  191.2533  241.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2157  192.4426  241.6145 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2654  190.7675  243.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7996  189.8654  244.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1232  188.5100  244.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8650  188.0417  243.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6759  187.5490  245.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4822  187.9318  246.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6860  189.0338  247.2611 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9893  186.7703  247.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7479  186.9514  248.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3210  185.9287  249.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0709  184.5955  249.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6356  183.6795  250.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4406  184.0949  251.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6671  185.4131  252.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1011  186.3284  251.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0228  183.2145  252.6732 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.2206  193.0002  241.3690 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-123.38107271,-31.03883979,-1.88353551,179.80519738,-1.79426363,209.74403912
189.06938055,244.35404313,0.40920376,-1.15468020,-2.13028575

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444776/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.54961

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-1.85039

>  <SCORE.INTRA.DIHEDRAL>
-4.63468

>  <SCORE.INTRA.DIHEDRAL.0>
9.32442

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.466954

>  <SCORE.INTRA.VDW.0>
-1.63776

>  <SCORE.INTRA.norm>
-0.0616796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.284987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000842

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  202.5564  220.4618  252.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1601  220.5252  251.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7947  219.2146  250.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4256  219.2796  250.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3549  218.6520  250.7970 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3389  219.0243  249.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9871  218.6555  249.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1424  219.1865  248.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6329  220.0677  248.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9806  220.4479  247.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8003  219.9005  248.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1343  220.0427  249.2559 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7886  220.6147  248.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99102484,-108.56710505,198.46176775,219.64225309,249.96848014,-0.30515597
-0.37864293,-0.89887901

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444777/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30733

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.0926678

>  <SCORE.INTRA.DIHEDRAL>
-0.00303054

>  <SCORE.INTRA.DIHEDRAL.0>
1.34886

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0911526

>  <SCORE.INTRA.VDW.0>
-0.44845

>  <SCORE.INTRA.norm>
-0.00772232

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.608944

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000703

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  218.1481  178.9186  244.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9229  178.5020  243.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8753  179.0081  244.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4085  179.5530  245.4089 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.8743  178.5761  243.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  1   4  -1
M  END
>  <CHROM.1>
7.79131781,218.06473543,178.99351581,244.28495762,-1.61644465,0.10187421
-2.04070862

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444788/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.01834

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-3.38166

>  <SCORE.INTRA.DIHEDRAL>
-6.76331

>  <SCORE.INTRA.DIHEDRAL.0>
7.18983

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.845414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
0.504586

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.469797

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 66 69  0  0  0  0  0  0  0  0999 V2000
  199.5061  192.7372  247.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6774  192.5481  248.6042 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.4215  191.7751  249.9608 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.7514  191.7608  250.6938 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4432  193.0078  250.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1512  194.0446  249.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1707  193.9003  248.9721 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8281  195.2221  250.0778 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7151  195.4129  251.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0966  194.5142  251.9194 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5570  193.2484  251.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9478  192.3313  252.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2039  196.6743  251.1495 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4315  190.5186  251.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6887  190.3999  249.8830 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.1585  190.5984  249.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0404  189.6757  248.6585 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3392  189.3818  248.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8491  188.1140  248.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1414  187.7398  248.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9836  188.6438  247.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4530  189.8864  247.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1470  190.2368  247.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4455  188.3758  247.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7365  187.5687  245.9399 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6903  188.4259  244.6581 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.2498  188.9181  244.3475 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1447  189.9161  243.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7515  191.1664  243.5328 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0338  191.8264  244.5851 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9987  192.6592  245.4435 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.0468  193.6739  246.0559 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0890  193.9646  244.8851 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9984  192.7149  244.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7017  194.4626  245.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6983  195.0873  246.6282 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3002  196.5961  246.6825 P   0  0  1  0  0  0  0  0  0  0  0  0
  201.7594  197.3603  245.5057 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1825  197.1393  248.0886 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.8973  196.3391  246.4156 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7188  197.4844  246.6992 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.2193  197.2164  246.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1220  198.3067  247.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3341  198.0703  248.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4336  197.9216  249.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1771  198.0533  249.2703 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3179  198.6997  245.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2841  198.7288  244.6287 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9909  199.7744  246.6175 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4017  193.0861  247.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0110  193.3118  244.6676 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4266  187.7733  244.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6288  189.5039  244.7265 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0295  186.9509  246.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0815  194.6413  248.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4140  196.0231  249.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5246  197.3730  251.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6521  196.9216  250.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3368  189.0500  248.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3205  197.8709  250.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7753  200.5164  246.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7686  193.7233  247.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4788  192.6208  244.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3844  187.2609  244.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3623  190.0897  245.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1667  186.4555  245.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  6  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 55  1  0  0  0  0
  8  9  1  0  0  0  0
  8 56  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 57  1  0  0  0  0
 13 58  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 59  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  1  0  0  0
 27 28  1  6  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 30 29  1  6  0  0  0
 30 34  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 51  1  6  0  0  0
 32 33  1  0  0  0  0
 32 50  1  1  0  0  0
 33 34  1  0  0  0  0
 33 35  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  6  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  6  0  0  0
 41 47  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 60  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 61  1  0  0  0  0
 50 62  1  0  0  0  0
 51 63  1  0  0  0  0
 52 64  1  0  0  0  0
 53 65  1  0  0  0  0
 54 66  1  0  0  0  0
M  CHG  1  39  -1
M  END
>  <CHROM.1>
-86.75493032,67.61085680,54.88201379,97.34362648,83.45698670,80.76968621
-67.96462171,-179.96564650,173.19834425,-63.51433175,-68.58925229,64.81903620
-66.01449237,149.22228882,-56.32108350,-177.90852049,24.56583943,75.95443367
43.81704019,-167.15712907,176.78756549,-167.66866871,-57.31571043,84.27298305
122.04664963,178.32641598,178.20929957,203.49957812,193.17405298,247.43760829
1.78626488,-0.95110476,-2.86098688

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444794/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.57064

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47037

>  <SCORE.INTRA>
-16.8294

>  <SCORE.INTRA.DIHEDRAL>
1.05078

>  <SCORE.INTRA.DIHEDRAL.0>
21.6065

>  <SCORE.INTRA.POLAR>
-1.4478

>  <SCORE.INTRA.POLAR.0>
-2.14632

>  <SCORE.INTRA.REPUL>
0.0834888

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.8497

>  <SCORE.INTRA.VDW.0>
0.333519

>  <SCORE.INTRA.norm>
-0.311655

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
0.158716

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009896

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  194.6897  218.4669  257.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9632  218.9843  257.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7002  220.1851  256.1707 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.0681  220.7980  256.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9051  221.0354  255.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4835  221.7661  257.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9248  219.7647  254.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0399  220.9040  254.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7041  220.8026  254.9281 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5774  221.1889  256.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5593  221.4205  256.9452 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0846  221.2266  256.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0864  221.8100  255.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7289  221.4243  255.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8524  221.8880  254.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3104  222.7427  253.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6457  223.1311  253.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5264  222.6601  254.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7447  219.7502  257.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6273  219.3584  258.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3243  218.0375  258.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1428  217.0799  257.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2532  217.4446  256.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5506  218.7637  256.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9494  222.0182  257.9394 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2970  223.3964  257.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
45.01364597,-66.67989479,149.99933378,-94.18322114,75.80968061,-9.31636258
-40.75141242,152.48765150,106.59741157,61.94718641,192.11278027,220.63125789
256.28798142,0.21014857,0.02138120,2.56521078

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444795/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3701

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616

>  <SCORE.INTRA>
-5.02995

>  <SCORE.INTRA.DIHEDRAL>
2.98067

>  <SCORE.INTRA.DIHEDRAL.0>
6.22379

>  <SCORE.INTRA.POLAR>
-1.45147

>  <SCORE.INTRA.POLAR.0>
-0.0405556

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.58527

>  <SCORE.INTRA.VDW.0>
2.51497

>  <SCORE.INTRA.norm>
-0.201198

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.414802

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039580

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  220.4270  199.9218  250.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6548  199.3214  249.3265 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7660  198.1696  249.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4598  200.2913  248.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3367  200.0341  247.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8145  200.2375  247.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2381  199.2881  248.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2484  197.9793  247.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0130  197.0247  248.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0228  195.6635  248.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2531  195.2611  247.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4814  196.2004  246.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4819  197.5577  246.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2683  193.8282  246.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4241  193.4051  245.8006 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1030  192.9118  248.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8860  193.4097  249.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8098  194.7698  249.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7478  192.5264  250.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7883  191.1259  250.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6745  190.3114  251.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5046  190.8833  252.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4470  192.2685  252.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5665  193.0828  251.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
149.14725825,-66.19661786,63.00191767,67.49406022,-150.16872046,-2.33069546
222.43945083,195.76193614,248.92984097,1.86479829,1.10078097,-0.60606720

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444796/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2662

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-1.13381

>  <SCORE.INTRA.DIHEDRAL>
1.47357

>  <SCORE.INTRA.DIHEDRAL.0>
1.36067

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.8706

>  <SCORE.INTRA.VDW.0>
2.25595

>  <SCORE.INTRA.norm>
-0.0472423

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.427758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005834

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  195.2723  208.1801  252.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8698  207.4726  253.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8145  206.5562  253.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4775  205.7765  254.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1754  205.9837  255.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2163  206.9154  255.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5747  207.6422  254.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4606  204.6793  254.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9863  203.2761  254.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8418  203.1416  252.8498 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2915  202.9471  252.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1715  203.9878  253.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6642  204.1026  254.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7379  205.0932  255.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1666  205.4352  256.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2674  206.3006  256.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9488  206.8357  255.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5159  206.5023  254.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4381  205.6372  254.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9571  205.4013  252.7278 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6764  204.9451  252.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0336  205.2501  251.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0253  207.6398  255.7379 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2211  208.7902  254.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7385  206.7036  257.8100 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7733  207.0754  258.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2609  203.2269  251.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0636  202.1822  251.0782 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.6828  204.1939  250.7335 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8019  204.1369  249.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7806  205.5691  248.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9758  205.6074  247.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2481  204.8740  246.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2734  203.4557  247.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0954  203.4327  248.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3957  205.8236  251.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3515  204.8111  251.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 37  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
94.26430934,-58.65085317,106.17997944,-60.70400058,95.00749416,-43.23233709
-140.86165929,145.20476942,158.05518822,195.90031427,205.29934286,253.03816315
-0.83457257,-0.45452233,-1.62664647

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444797/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.55942

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411429

>  <SCORE.INTRA>
-11.8406

>  <SCORE.INTRA.DIHEDRAL>
3.03099

>  <SCORE.INTRA.DIHEDRAL.0>
8.37092

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00360488

>  <SCORE.INTRA.REPUL.0>
0.00360488

>  <SCORE.INTRA.VDW>
-9.93805

>  <SCORE.INTRA.VDW.0>
2.19408

>  <SCORE.INTRA.norm>
-0.338302

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0731263

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  204.0601  199.4929  241.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7839  199.1988  240.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8444  197.8100  240.8025 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.8037  198.3051  242.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9417  199.2019  242.8245 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7691  197.6749  243.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0696  196.8458  244.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3661  195.6080  243.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0764  195.9574  243.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4107  194.7347  242.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1482  195.1557  241.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6030  196.2656  240.2919 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-115.45708797,66.32757212,-74.49120842,177.17366923,-179.26907436,66.61376879
204.19211559,196.98051821,241.67786295,-0.04278071,-0.72701638,-0.76599327

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444798/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3178

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-1.08216

>  <SCORE.INTRA.DIHEDRAL>
1.16553

>  <SCORE.INTRA.DIHEDRAL.0>
1.36918

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.66493

>  <SCORE.INTRA.VDW.0>
-0.592792

>  <SCORE.INTRA.norm>
-0.0901802

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.85982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008086

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  194.5662  211.7838  242.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8780  213.0361  242.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2789  214.0191  241.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9928  215.2075  241.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5045  216.1765  240.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2688  216.0019  240.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5225  214.8575  240.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9870  213.8352  241.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1100  212.6381  241.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4031  212.0674  240.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6011  210.9253  240.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5187  210.3019  241.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1816  210.8534  242.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9305  212.0270  242.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-102.33920381,-138.27270278,191.94695518,213.10212371,241.63099231,-0.82912518
0.42166285,2.64491460

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444800/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20884

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-1.19116

>  <SCORE.INTRA.DIHEDRAL>
0.0528161

>  <SCORE.INTRA.DIHEDRAL.0>
2.6868

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21757

>  <SCORE.INTRA.VDW.0>
0.276899

>  <SCORE.INTRA.norm>
-0.0850832

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.443488

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.082686

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  202.5706  201.8127  248.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9107  201.7881  248.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0178  200.5503  249.5681 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2502  200.4516  250.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2991  199.1138  251.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1743  198.0710  250.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1534  196.7821  250.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9812  195.7703  249.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7937  196.0331  248.8012 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6854  195.2759  247.5899 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2202  193.8390  247.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7310  195.9066  246.6927 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0299  197.1908  246.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1854  197.8283  245.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4626  199.1325  244.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5659  199.8197  245.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4099  199.2046  246.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1749  197.8803  246.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4714  199.9417  246.8152 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7420  199.2935  246.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-179.33310760,179.67690783,58.78742471,-177.48842412,178.53777424,-57.75619514
169.36034697,79.09910365,60.06832966,176.71831544,-128.77336195,204.11827415
198.28474378,247.95895267,1.16302180,-1.15242124,-0.20733496

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444801/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.4639

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.82

>  <SCORE.INTRA>
-2.93608

>  <SCORE.INTRA.DIHEDRAL>
2.13604

>  <SCORE.INTRA.DIHEDRAL.0>
2.97834

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.0041

>  <SCORE.INTRA.VDW.0>
2.83683

>  <SCORE.INTRA.norm>
-0.146804

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.673196

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000488

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  207.6355  204.8043  247.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0815  206.1182  248.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5152  206.3554  249.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0991  205.3595  251.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5919  205.4240  251.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4978  207.8747  250.4442 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.8910  208.4387  250.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6573  208.5019  249.5868 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2442  208.8714  251.7783 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5235  208.7559  252.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3231  208.2680  252.9033 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7341  207.8417  251.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6216  207.2792  251.7571 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1518  209.1271  253.9226 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.7011  208.8118  249.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5976  210.2447  249.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1015  211.2987  249.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1609  209.2497  251.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  1  14  -1
M  END
>  <CHROM.1>
68.10460268,63.38248276,-63.55175446,176.38969128,117.80678099,207.90881486
207.82278728,250.77559474,1.58497450,1.16981790,-2.52438371

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444811/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.72358

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-0.676423

>  <SCORE.INTRA.DIHEDRAL>
0.189785

>  <SCORE.INTRA.DIHEDRAL.0>
1.63269

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.771315

>  <SCORE.INTRA.VDW.0>
-0.206665

>  <SCORE.INTRA.norm>
-0.0397896

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.571975

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004527

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 36  0  0  0  0  0  0  0  0999 V2000
  211.4696  175.6801  243.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4033  176.5739  244.1181 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0488  178.0275  243.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1039  177.4398  245.3233 N   0  0  2  0  0  0  0  0  0  0  0  0
  213.3536  178.1260  246.2523 P   0  0  1  0  0  0  0  0  0  0  0  0
  214.5762  178.6083  245.4881 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5797  179.4459  246.3442 P   0  0  1  0  0  0  0  0  0  0  0  0
  214.7841  180.6698  246.6966 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4805  180.4103  247.5145 P   0  0  1  0  0  0  0  0  0  0  0  0
  212.6499  179.4117  246.7486 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2207  179.8210  249.0737 N   0  0  1  0  0  0  0  0  0  0  0  0
  214.3814  180.1895  249.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0394  180.6261  250.3494 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6918  180.0986  251.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9503  181.9753  247.6255 N   0  0  2  0  0  0  0  0  0  0  0  0
  211.5534  182.3264  247.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5636  182.9186  246.5243 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.0630  182.8540  245.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4059  179.2342  247.8205 N   0  0  1  0  0  0  0  0  0  0  0  0
  217.1944  177.9865  247.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8124  179.2411  248.2494 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.5402  179.0061  249.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7500  179.6373  245.2022 N   0  0  2  0  0  0  0  0  0  0  0  0
  217.4559  180.8354  244.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6027  180.2726  243.7964 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.9868  181.4512  243.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1101  176.9048  247.1730 N   0  0  1  0  0  0  0  0  0  0  0  0
  213.5563  176.7275  248.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2907  175.6566  247.5819 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.8271  174.2775  247.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  7 23  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 15 17  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 19 21  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 23 25  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 29  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <CHROM.1>
37.30560949,-92.93110762,54.20864213,137.13340661,29.50012551,140.54641227
214.20415934,179.22248627,246.82698228,3.10205082,1.21232473,2.26771479

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444812/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.89139

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-8.50861

>  <SCORE.INTRA.DIHEDRAL>
-0.105005

>  <SCORE.INTRA.DIHEDRAL.0>
6.55653

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
4.5336e-06

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.45613

>  <SCORE.INTRA.VDW.0>
-0.0480746

>  <SCORE.INTRA.norm>
-0.28362

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0963795

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000115

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  197.2397  215.3182  250.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5297  214.4968  251.5048 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9956  213.1177  251.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3708  214.9690  252.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6191  214.3529  253.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4505  214.9529  253.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8612  216.0945  253.2542 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6261  216.0656  253.8437 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4443  214.9390  254.5148 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6285  214.2818  254.4657 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8791  213.1722  255.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8602  212.7051  256.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1091  211.6471  257.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3799  211.0769  257.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3999  211.5401  256.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1512  212.5834  255.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7351  209.6894  258.3315 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
3.84238404,178.70530438,193.85347706,212.74248147,255.19176409,-1.34919692
-0.49104033,2.37549937

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444813/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.342

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-2.058

>  <SCORE.INTRA.DIHEDRAL>
-5.09889

>  <SCORE.INTRA.DIHEDRAL.0>
5.21522

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.491446

>  <SCORE.INTRA.VDW.0>
-0.78218

>  <SCORE.INTRA.norm>
-0.121059

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.314235

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001931

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  186.4027  207.8921  266.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3272  208.2553  265.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2115  209.5952  265.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1284  209.9481  263.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1174  208.9658  262.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2008  207.6222  263.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3329  207.2724  264.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9528  209.3599  261.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4265  208.7733  260.1487 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2771  207.7248  260.2340 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0530  207.3599  259.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0122  207.8902  258.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9467  206.1241  259.4133 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4149  205.5373  258.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0921  206.5469  260.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8614  207.0280  261.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7553  208.4168  261.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6362  208.9888  263.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5209  210.3768  263.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4380  210.9144  264.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4598  210.0738  265.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5602  208.6950  265.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6503  208.1429  264.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7721  206.7640  263.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8852  206.2201  262.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1138  210.5911  260.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4367  207.2806  261.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6667  207.2260  259.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 25  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
149.33584566,-161.91331942,162.58992979,64.03145468,-94.80501072,188.04730857
208.25274950,262.40239794,1.73891700,-0.43763819,1.30826240

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444814/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.23282

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-5.16718

>  <SCORE.INTRA.DIHEDRAL>
-1.31433

>  <SCORE.INTRA.DIHEDRAL.0>
6.89449

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.51001

>  <SCORE.INTRA.VDW.0>
0.301506

>  <SCORE.INTRA.norm>
-0.198738

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.201262

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  174.5779  216.2001  260.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.8952  215.6498  259.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.8732  214.4650  259.2690 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.0657  213.9774  258.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2693  214.6246  259.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1750  215.8458  259.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.0067  216.3716  260.1353 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.2944  216.6453  259.9670 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.5436  213.9981  258.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7360  214.0804  257.2285 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.6411  215.5089  256.4961 P   0  0  1  0  0  0  0  0  0  0  0  0
  180.2190  216.6616  257.2417 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3961  215.1799  255.1255 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.1119  215.5524  256.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.3260  214.4972  255.2324 P   0  0  0  0  0  0  0  0  0  0  0  0
  175.8877  214.7588  254.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.1992  214.4520  253.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.6597  213.0715  255.8542 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.7128  216.9732  259.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
  179.9469  216.0840  260.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.3405  214.9758  255.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
  179.1451  214.5969  254.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
  178.5087  213.0649  256.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  1  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <CHROM.1>
75.34793501,64.82758960,53.11799418,38.39230332,-65.79230096,-56.17961327
-178.71883221,32.93082690,-24.58609002,178.06202140,215.06649858,257.33414501
1.96425426,0.18678154,1.28858305

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444815/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0183327

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-11.4183

>  <SCORE.INTRA.DIHEDRAL>
-0.773904

>  <SCORE.INTRA.DIHEDRAL.0>
4.95467

>  <SCORE.INTRA.POLAR>
-2.89474

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.18925

>  <SCORE.INTRA.VDW.0>
-3.25826

>  <SCORE.INTRA.norm>
-0.634352

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
-0.00101848

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006240

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  203.6985  207.8286  245.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6736  208.4243  246.4182 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2863  209.7112  245.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3951  207.2376  246.7723 P   0  0  1  0  0  0  0  0  0  0  0  0
  202.3433  206.3152  247.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4767  208.3848  247.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3258  209.0555  247.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6406  209.9116  248.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0909  210.0945  249.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2370  209.4366  250.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9382  208.5946  249.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8938  205.8442  247.1881 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  1  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
65.31942711,101.67664716,200.91884411,207.99536489,247.48801005,-0.66916016
0.61949083,0.25960658

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444816/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.27065

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.129351

>  <SCORE.INTRA.DIHEDRAL>
0.0356449

>  <SCORE.INTRA.DIHEDRAL.0>
6.12603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.147173

>  <SCORE.INTRA.VDW.0>
-0.550842

>  <SCORE.INTRA.norm>
-0.0107792

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.605887

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 49  0  0  0  0  0  0  0  0999 V2000
  200.9579  206.0187  256.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9029  204.8697  257.5398 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0360  204.1816  257.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7752  204.9395  256.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0799  206.1266  256.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4493  207.2858  255.3424 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8489  207.8637  255.5346 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.8397  208.9000  254.4086 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0305  208.1842  253.2948 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3651  207.0429  253.9152 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9920  209.0214  252.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5967  210.0813  251.8288 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6268  211.5073  251.6919 P   0  0  0  0  0  0  0  0  0  0  0  0
  202.2023  212.1012  252.9726 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5276  212.0756  250.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6569  212.9333  251.5549 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2891  210.1240  254.9003 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8876  206.8989  255.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8744  204.5760  255.5122 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0278  204.2547  254.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9123  205.0055  253.1354 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2154  204.2996  251.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3139  205.0702  251.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4502  204.6084  251.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9873  206.4908  250.6757 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8942  207.5329  251.3428 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3632  208.9513  251.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1327  209.8617  251.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6487  211.4916  251.5941 P   0  0  0  0  0  0  0  0  0  0  0  0
  204.8264  211.5651  252.8784 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1304  212.0041  252.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1648  213.1216  251.2747 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9985  207.2367  252.7415 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1067  206.5855  249.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3756  202.8492  257.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6851  202.2292  258.4441 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5348  202.3336  257.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0780  212.0056  249.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2433  212.8023  250.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3370  210.8383  254.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8313  206.5716  254.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7548  204.9015  255.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0432  212.7540  252.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7668  213.3985  250.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5283  207.9440  253.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8549  207.4913  248.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0922  202.9020  256.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8471  201.4180  257.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  6  5  1  1  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  6  0  0  0
  8  9  1  0  0  0  0
  8 17  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 23  1  1  0  0  0
 25 26  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  1  0  0  0
 26 33  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 43  1  0  0  0  0
 32 44  1  0  0  0  0
 33 45  1  0  0  0  0
 34 46  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 47  1  0  0  0  0
 37 48  1  0  0  0  0
M  END
>  <CHROM.1>
-0.10943533,104.30794798,127.49411835,60.68927081,174.99136658,63.44963535
-148.05723050,90.56914388,106.09400761,-48.15280788,67.59517152,-124.43184738
112.69449337,118.08634800,-166.04256363,177.68086011,172.62710497,-176.24007644
174.79644397,101.21858055,-132.28325484,91.64345552,203.70703202,207.95990085
253.38292451,1.76817326,-0.77951772,2.71220972

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444817/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.85123

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.524324

>  <SCORE.INTRA>
-16.5488

>  <SCORE.INTRA.DIHEDRAL>
-2.42724

>  <SCORE.INTRA.DIHEDRAL.0>
19.4254

>  <SCORE.INTRA.POLAR>
-2.7667

>  <SCORE.INTRA.POLAR.0>
-1.04167

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.92836

>  <SCORE.INTRA.VDW.0>
-5.72383

>  <SCORE.INTRA.norm>
-0.447264

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.0770602

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020144

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  217.5802  201.7409  288.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6698  201.4543  287.6415 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7534  202.4760  286.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9563  202.0505  285.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5751  201.5483  285.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5996  201.4349  284.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3104  200.9737  284.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0365  200.6291  286.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9923  200.7077  287.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2794  201.1541  287.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2936  201.2815  288.1263 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.9161  202.3715  288.9576 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5049  200.3278  288.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1071  200.1773  288.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8348  200.1980  286.7574 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2920  200.8463  284.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6438  200.3826  282.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0185  202.1737  289.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
38.61788499,-177.77656754,213.76387923,201.16303943,286.59518529,0.48934899
0.30670587,1.64410716

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444818/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.20283

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-1.19717

>  <SCORE.INTRA.DIHEDRAL>
0.0160892

>  <SCORE.INTRA.DIHEDRAL.0>
1.92028

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.20522

>  <SCORE.INTRA.VDW.0>
2.05627

>  <SCORE.INTRA.norm>
-0.0704219

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.306049

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  206.6831  190.5158  243.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0269  189.5792  242.8643 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2286  190.1030  241.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9816  191.2436  241.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1232  191.6788  240.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5156  190.9699  238.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7765  189.8224  239.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6434  189.3861  240.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6832  191.5147  237.3540 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
45.72780652,207.34138136,190.66873142,240.22925639,-1.82503799,-1.04258025
-1.55444760

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444820/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25856

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.141443

>  <SCORE.INTRA.DIHEDRAL>
1.48339

>  <SCORE.INTRA.DIHEDRAL.0>
0.906216

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.883139

>  <SCORE.INTRA.VDW.0>
1.91717

>  <SCORE.INTRA.norm>
-0.0157159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.695395

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005127

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 47  0  0  0  0  0  0  0  0999 V2000
  196.3720  212.6788  251.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5059  213.7096  252.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5704  214.6246  251.1769 C   0  5  0  0  0  0  0  0  0  0  0  0
  196.4785  214.1501  250.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9778  212.9499  250.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9015  214.8575  248.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7758  216.1160  249.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1932  215.8951  249.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0148  217.1772  250.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3296  217.0155  250.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1434  218.2941  251.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3949  218.0614  252.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1513  219.3747  252.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2725  219.1420  253.2937 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.5649  220.0231  251.3631 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.3178  220.2356  253.2088 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.0242  217.4581  253.3389 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.2670  217.2058  251.4968 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.5753  218.8530  250.0624 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.3056  219.2139  251.8626 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.9898  216.3688  252.0614 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.1823  216.1649  250.1978 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.3077  217.8104  248.8597 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.1874  218.0488  250.7277 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.0543  215.1363  250.8802 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.9374  215.1366  248.8502 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.8107  215.9213  251.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0837  216.8195  252.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5132  217.4194  252.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8786  218.3280  253.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3176  218.9354  253.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7509  219.7610  254.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1894  220.3507  254.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5681  221.1780  256.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7057  222.2389  256.2864 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.5382  220.3718  257.1961 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.8505  221.6845  255.9458 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.1168  219.3341  254.6819 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.2979  221.1631  253.6873 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.8609  220.8218  254.9592 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.6025  218.9927  256.0003 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.2170  217.8916  253.4534 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.4704  219.7445  252.5050 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.9566  219.3530  253.6303 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.7002  217.6184  254.7418 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.4194  216.3767  252.2694 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.6695  218.1688  251.1960 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 31  1  0  0  0  0
 30 44  1  0  0  0  0
 30 45  1  0  0  0  0
 31 32  1  0  0  0  0
 31 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 33  1  0  0  0  0
 32 40  1  0  0  0  0
 32 41  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  CHG  1   3  -1
M  END
>  <CHROM.1>
56.27716278,69.92276755,65.80334717,-173.89337138,169.20099154,-177.93658696
176.61362822,-178.82700638,-178.93549387,70.42894447,-179.22867023,179.32130234
-175.42868801,-178.90691122,179.33877708,-58.42156258,199.68014096,217.98707103
252.46512274,2.33761794,-0.25979508,-2.31069817

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444821/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.5721

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.455319

>  <SCORE.INTRA>
-8.82794

>  <SCORE.INTRA.DIHEDRAL>
-7.07792

>  <SCORE.INTRA.DIHEDRAL.0>
10.2837

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.28898

>  <SCORE.INTRA.VDW.0>
-10.2757

>  <SCORE.INTRA.norm>
-0.187829

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
47

>  <SCORE.norm>
0.267491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  225.2415  177.7290  243.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8840  178.0902  242.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8355  177.1630  242.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5511  177.5132  242.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2830  178.8024  241.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3542  179.7051  241.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6390  179.3524  242.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8781  179.2573  241.5306 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.5012  180.5687  242.0233 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7750  181.3725  241.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2178  182.4328  241.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6584  180.7667  239.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6715  179.2862  239.7248 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.5949  180.8925  243.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3939  182.2122  243.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5338  182.5572  245.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8379  181.5761  246.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0100  180.2556  245.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9041  179.9178  244.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
134.14745550,171.61727255,220.64149035,179.94103255,242.47493739,-0.19328366
-0.62974786,1.22611980

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444822/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31383

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-1.08617

>  <SCORE.INTRA.DIHEDRAL>
-4.56076

>  <SCORE.INTRA.DIHEDRAL.0>
6.30908

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.19421

>  <SCORE.INTRA.VDW.0>
-2.04055

>  <SCORE.INTRA.norm>
-0.0571666

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.332307

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000271

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  218.3705  185.2769  249.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2691  186.7939  249.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8224  187.2511  248.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7071  188.7767  248.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2508  189.2002  248.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0755  190.7174  248.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6180  191.0783  248.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1331  191.5729  247.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9190  190.7724  249.7027 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5276  191.0887  249.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
179.86298119,179.67825571,-179.89369806,-179.94122905,-108.68849845,-179.99128936
215.12927400,189.26492061,248.89716212,0.61419380,-0.44617328,2.56350871

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444823/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.9348

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-0.465222

>  <SCORE.INTRA.DIHEDRAL>
0.141253

>  <SCORE.INTRA.DIHEDRAL.0>
1.09605

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.535849

>  <SCORE.INTRA.VDW.0>
1.99545

>  <SCORE.INTRA.norm>
-0.0465222

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.09348

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038781

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  187.7274  211.2186  256.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4763  210.6107  257.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7087  211.1949  258.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9975  212.4420  258.6168 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2059  213.0103  259.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1962  212.4950  260.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6726  214.4005  260.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0612  214.2409  261.2059 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.3834  213.7266  260.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4161  213.7978  258.8839 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6559  213.3604  258.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3663  213.0001  259.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6047  213.2761  260.6830 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9953  213.0785  262.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0970  212.5179  262.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3929  212.5404  264.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6069  213.0611  264.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5327  213.5519  263.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2267  213.5728  262.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7105  212.3757  259.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2063  211.6443  260.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4166  210.9285  260.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1435  210.9267  259.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6895  211.7071  258.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5247  212.4666  258.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2720  210.1454  259.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4566  210.7482  258.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9713  210.2120  261.5052 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9022  210.7859  262.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1013  209.2219  256.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9502  208.6021  257.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5707  207.3253  256.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3466  206.6546  255.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4960  207.2479  255.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8735  208.5262  255.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8310  204.9324  255.3375 Br  0  0  0  0  0  0  0  0  0  0  0  0
  186.8684  212.8956  258.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-179.55023992,-176.07738507,-79.93166241,71.95819074,15.82401309,-159.37370266
40.52485068,-40.01249587,-131.74580196,188.69631576,210.72117126,259.07612405
2.29676089,0.12656946,-2.50028509

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444824/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.64494

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-5.75506

>  <SCORE.INTRA.DIHEDRAL>
2.19745

>  <SCORE.INTRA.DIHEDRAL.0>
12.1842

>  <SCORE.INTRA.POLAR>
-0.999488

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00373682

>  <SCORE.INTRA.REPUL.0>
0.00373682

>  <SCORE.INTRA.VDW>
-3.43684

>  <SCORE.INTRA.VDW.0>
2.87347

>  <SCORE.INTRA.norm>
-0.159863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.240137

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000007

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  191.1917  213.4147  263.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3101  213.2180  264.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4031  212.0838  265.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3812  211.1126  265.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2644  211.3056  264.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1799  212.4610  263.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1174  210.3667  264.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5205  210.1636  263.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7827  209.6783  265.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5520  209.9623  266.2781 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9125  208.6763  265.6855 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.2834  207.4559  266.4013 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.6893  206.6167  265.2674 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.4619  207.6348  264.1539 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4764  208.6444  264.3191 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5712  207.1112  262.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1006  207.9972  261.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1935  209.3345  261.6084 P   0  0  0  0  0  0  0  0  0  0  0  0
  191.9029  208.7481  260.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0172  210.2567  260.9666 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2865  210.6718  261.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5966  205.5784  264.8848 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2973  207.8100  267.3752 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0444  209.1142  265.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0597  210.1749  267.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4280  210.5397  261.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8621  211.3426  262.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.7558  204.9856  265.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.5860  208.2956  266.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 10  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  1  0  0  0
 13 14  1  0  0  0  0
 13 22  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <CHROM.1>
-101.15509722,-144.80589934,-178.43438299,-145.58281185,60.02869089,61.41143101
168.07863020,69.51331418,99.85604444,77.77428092,79.69947765,190.84223992
209.48257387,263.92408298,-0.15498649,1.51787145,1.14101221

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444825/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.46993

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-9.93007

>  <SCORE.INTRA.DIHEDRAL>
0.825973

>  <SCORE.INTRA.DIHEDRAL.0>
7.67091

>  <SCORE.INTRA.POLAR>
-1.59861

>  <SCORE.INTRA.POLAR.0>
-0.400666

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.90778

>  <SCORE.INTRA.VDW.0>
-1.86078

>  <SCORE.INTRA.norm>
-0.431742

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0639101

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000116

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  224.7179  181.4209  249.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2038  182.5718  248.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2337  182.1310  246.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3038  183.8151  248.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7197  184.8883  249.0547 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9920  183.6612  248.2275 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9905  184.7193  248.3846 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7616  184.5409  247.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9225  182.9249  247.6033 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.5083  184.6817  249.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4568  185.6707  250.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1698  183.4526  250.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.9221  183.0222  248.9270 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.6461  182.7178  248.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.1181  182.7284  248.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.8752  183.4051  251.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.6200  183.4234  250.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  6  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
117.96817102,-63.47845139,160.41136666,53.47682470,129.87566659,35.42815513
178.94319203,223.16944174,183.53765297,248.70609596,0.13801545,0.14210513
-2.36746759

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444834/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.51971

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.876923

>  <SCORE.INTRA>
-3.88029

>  <SCORE.INTRA.DIHEDRAL>
-2.62377

>  <SCORE.INTRA.DIHEDRAL.0>
5.58829

>  <SCORE.INTRA.POLAR>
-0.574388

>  <SCORE.INTRA.POLAR.0>
-0.180773

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.615492

>  <SCORE.INTRA.VDW.0>
-1.56157

>  <SCORE.INTRA.norm>
-0.298484

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.578439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.223091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  213.1263  205.8287  250.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9761  205.0473  249.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9694  203.8909  249.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7414  204.3481  250.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6448  205.5171  250.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7985  206.4751  250.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3316  205.6747  251.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5212  204.5898  251.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3092  203.4237  250.1818 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.2509  204.4179  251.5971 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7648  205.4084  252.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4631  206.5924  252.5899 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7889  206.7812  252.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4841  207.7584  252.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9575  207.6293  253.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0211  208.9716  253.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3331  209.9503  253.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5840  209.5902  254.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5424  208.2664  255.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2265  207.2895  254.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5723  210.8988  255.7975 Br  0  0  0  0  0  0  0  0  0  0  0  0
  205.0796  205.2860  252.7984 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.1458  205.9241  251.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5483  207.3422  251.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3674  208.2869  251.7842 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0971  207.4491  249.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4295  207.8159  249.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2695  206.8886  248.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6116  207.2045  248.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1321  208.4208  249.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2922  209.3394  249.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9354  209.0493  249.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7991  208.8372  248.9478 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.5646  206.0530  247.7996 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.4284  207.5923  248.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-85.69949255,-132.58114419,-57.69626287,-64.30352467,-114.51523659,116.67085989
207.69881897,207.26401551,251.61398873,-0.69724311,0.56051466,0.35593699

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444835/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.62201

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-5.77799

>  <SCORE.INTRA.DIHEDRAL>
-2.67241

>  <SCORE.INTRA.DIHEDRAL.0>
13.3363

>  <SCORE.INTRA.POLAR>
1

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.84178

>  <SCORE.INTRA.VDW.0>
-2.79032

>  <SCORE.INTRA.norm>
-0.169941

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.165353

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  223.3233  190.0236  250.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9944  188.9925  249.8658 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.7490  189.4692  249.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1740  188.9093  248.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7342  187.6401  250.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3663  186.4853  249.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1387  185.2757  250.3579 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7960  184.2130  249.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6589  184.2426  248.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6014  183.1236  250.3612 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.7908  183.1517  251.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3970  182.2373  249.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
179.15167483,-179.75520715,179.38763155,-1.24278561,222.44893282,186.81521802
249.77317646,-0.37926232,1.30821666,2.00021409

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444836/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.4825

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-0.917498

>  <SCORE.INTRA.DIHEDRAL>
-1.55289

>  <SCORE.INTRA.DIHEDRAL.0>
1.56522

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.141051

>  <SCORE.INTRA.VDW.0>
2.45142

>  <SCORE.INTRA.norm>
-0.0917498

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.84825

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023575

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  213.7890  189.7308  249.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5518  190.4708  249.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0637  189.8858  248.2181 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9630  190.3204  247.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3487  191.2960  247.9666 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5700  189.6753  246.4195 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4669  190.0996  245.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7169  191.1647  245.9829 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6882  191.6481  245.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3574  191.0304  244.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1236  189.8943  243.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1741  189.4438  244.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8670  189.2162  242.3550 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7105  188.1424  241.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8877  188.6919  241.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7804  189.5696  241.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6065  190.9660  241.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4355  191.7737  242.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4471  191.1980  243.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6315  189.8131  243.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8027  189.0004  242.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2911  191.5455  243.2123 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9977  192.7728  245.7719 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1310  188.8711  246.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0732  189.4870  241.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7410  192.3636  243.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0226  191.1490  242.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.2958  193.1663  246.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2059  193.2293  245.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <CHROM.1>
179.89724419,0.86638481,-2.21167430,174.15757396,-86.89065027,61.82754410
-95.02091575,209.99708098,190.33617015,244.80179105,-1.03259306,0.31714043
-1.80169935

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444838/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.23068

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-7.16932

>  <SCORE.INTRA.DIHEDRAL>
-8.24446

>  <SCORE.INTRA.DIHEDRAL.0>
11.5531

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.04709

>  <SCORE.INTRA.VDW.0>
0.816694

>  <SCORE.INTRA.norm>
-0.311709

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.227421

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000946

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 37  0  0  0  0  0  0  0  0999 V2000
  218.2206  186.8292  245.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5188  188.1013  245.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1986  187.7742  246.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4749  189.0476  246.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1574  188.7083  247.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4360  189.9807  247.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1276  189.6450  248.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3932  190.9237  248.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8692  191.6009  247.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5708  191.8512  247.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0527  192.5253  246.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3292  193.8046  246.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7875  194.4799  245.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0456  195.7537  245.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7251  195.3980  246.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9392  196.6494  246.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6095  196.2980  247.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8230  197.5436  247.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5474  198.3046  248.8760 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8026  199.4748  249.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5620  200.2941  250.2671 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.7079  201.5203  250.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4789  202.6445  250.9748 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2793  203.3727  249.6250 P   0  0  1  0  0  0  0  0  0  0  0  0
  204.3246  204.6377  250.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5914  202.4642  249.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0798  204.1008  248.2752 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2396  204.9803  247.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9163  205.6366  246.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9415  206.5925  245.7136 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.7090  205.8440  245.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5065  207.7101  246.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6686  207.2069  244.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7260  199.4407  251.4194 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5894  199.9431  252.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2457  200.9663  252.2001 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6845  199.0403  253.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5641  202.1741  250.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  1  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 38  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  CHG  1  30   1
M  END
>  <CHROM.1>
-178.81815481,179.94883469,179.89170881,-179.09469344,-178.41390682,70.39711834
120.05142743,-119.68956234,-179.34467992,179.22010169,-72.99456303,-178.85452162
-179.88503443,-179.79347663,-62.77979268,179.97704632,179.24621937,179.97583814
-150.95515830,168.92213287,74.98594484,157.29036792,-21.61404690,170.96753248
179.37488006,-179.32894537,-60.02082472,-4.95903381,207.02560369,197.93012560
248.18045105,-0.68330843,0.75300963,-0.58602320

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444839/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.914

>  <SCORE.INTER>
32.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
27

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.875676

>  <SCORE.INTRA>
-17.486

>  <SCORE.INTRA.DIHEDRAL>
-17.5783

>  <SCORE.INTRA.DIHEDRAL.0>
25.0187

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.2969

>  <SCORE.INTRA.VDW.0>
5.51583

>  <SCORE.INTRA.norm>
-0.472595

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.40308

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030203

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  189.7332  217.0228  253.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1066  215.6733  253.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4114  214.6725  254.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7987  213.3039  253.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1044  212.2957  255.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5768  210.9586  254.8010 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2207  210.6419  254.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0835  211.4383  254.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8527  210.7800  254.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7733  209.3903  254.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9192  208.5997  254.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1409  209.2666  254.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4554  208.8304  254.3372 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.2772  209.8657  254.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6021  209.8060  254.3916 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8253  207.5411  253.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6006  207.5734  252.4229 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.1014  208.6640  251.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6337  209.9213  251.8672 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1020  211.1002  251.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7684  211.4637  251.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4683  212.7239  250.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4900  213.6321  250.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8074  213.3131  250.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1025  212.0575  251.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1155  215.1480  249.6103 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.3889  210.4831  251.5100 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.9835  207.7784  252.7690 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1755  210.6256  254.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0730  208.9382  254.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5196  207.7711  251.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 28 31  1  0  0  0  0
M  CHG  1  13   1
M  END
>  <CHROM.1>
-179.67929612,179.83474926,-177.40959208,-68.42689536,117.00804952,-39.46139112
78.93873413,177.84629688,-163.84267451,38.54497854,188.32713760,211.36691959
252.78589534,1.39716834,0.90648500,-0.22907623

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444840/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.07348

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-9.32652

>  <SCORE.INTRA.DIHEDRAL>
-0.969748

>  <SCORE.INTRA.DIHEDRAL.0>
11.3322

>  <SCORE.INTRA.POLAR>
-0.77623

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.20246

>  <SCORE.INTRA.VDW.0>
-1.87767

>  <SCORE.INTRA.norm>
-0.33309

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.181196

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000283

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 35  0  0  0  0  0  0  0  0999 V2000
  220.1143  171.8818  249.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1122  173.3819  249.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3507  174.1047  250.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3034  175.6069  250.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5221  176.3203  251.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4271  177.8165  251.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4903  178.0918  249.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4663  179.5817  249.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5511  179.8622  248.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0667  179.6347  248.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1699  179.6707  247.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6720  179.4395  247.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6390  179.3727  246.2023 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.2366  177.8952  245.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5966  176.8450  245.4539 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4631  178.1012  244.8016 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1685  177.1082  244.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3624  177.3050  243.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0665  176.3118  242.8398 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3143  176.5105  242.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9437  177.5535  242.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9074  175.0319  241.4688 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.6757  175.0135  242.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8450  174.4926  243.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1672  175.3957  244.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2444  174.7952  245.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3707  175.5609  246.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8808  175.3267  246.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0180  176.0649  247.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5368  175.7711  247.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6914  176.3751  248.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2093  176.1052  248.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3544  176.7410  249.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8782  176.4942  249.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8516  179.0286  244.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.6785  175.3849  242.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
-177.95448182,179.13656191,-177.81520716,71.03096724,-176.11296442,178.78283532
68.41546921,-169.85576294,179.80473562,-176.09728701,66.20549438,104.18815161
-135.95295677,79.34709551,-63.69142417,175.06313726,-170.14603150,70.71395478
178.59882775,-177.06976389,173.36245546,178.81370380,-178.34894788,178.84782640
216.01435483,176.66427386,246.63217884,-0.28665043,-0.44204910,1.52937247

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444841/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
27.1409

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.864706

>  <SCORE.INTRA>
-2.25914

>  <SCORE.INTRA.DIHEDRAL>
7.14395

>  <SCORE.INTRA.DIHEDRAL.0>
1.88497

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.83112

>  <SCORE.INTRA.VDW.0>
-3.11382

>  <SCORE.INTRA.norm>
-0.0664454

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.798261

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026665

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 41  0  0  0  0  0  0  0  0999 V2000
  219.4254  198.6288  252.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8476  197.3493  252.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8433  197.3632  251.4920 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3700  198.7619  251.2287 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.5418  199.7673  250.9987 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.7439  199.5219  251.8006 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9458  199.8084  249.5895 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9915  199.8601  248.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6901  199.8166  249.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4655  198.7782  249.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6147  197.9214  249.7582 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2027  199.9937  247.4153 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.5311  196.0321  252.6802 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.3680  194.9706  251.5842 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.9708  193.6471  252.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6951  192.5609  251.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4464  192.8307  249.6689 P   0  0  1  0  0  0  0  0  0  0  0  0
  220.5411  191.3072  249.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9769  193.1379  249.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1976  193.1005  248.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5882  194.7778  247.9701 P   0  0  1  0  0  0  0  0  0  0  0  0
  222.7030  194.6228  249.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3934  194.4450  246.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9787  196.4552  247.8061 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0013  197.3208  248.7359 P   0  0  0  0  0  0  0  0  0  0  0  0
  221.3362  197.3642  250.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8508  198.7434  248.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5337  196.7387  248.4879 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9735  194.8283  251.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9049  196.2502  252.9782 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3836  199.0432  251.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5372  200.6735  249.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1380  199.7258  247.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.4692  199.6228  246.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.4024  193.4422  249.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.1373  195.0770  246.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.4068  199.3923  248.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.3394  196.7422  247.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5876  195.7104  251.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3030  196.6055  252.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  4  3  1  6  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  6  0  0  0
 14 15  1  1  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  6  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  1  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 37  1  0  0  0  0
 28 38  1  0  0  0  0
 29 39  1  0  0  0  0
 30 40  1  0  0  0  0
M  END
>  <CHROM.1>
-151.94229337,20.23056340,-174.80148312,-62.05342905,171.79993300,48.73512679
63.77816543,150.64511889,25.06462036,-103.13938929,71.17957203,-146.80460493
3.42529141,79.08120337,-169.48256855,-53.73838920,219.73921674,196.31307524
249.81836430,2.39481571,0.92534689,-0.54584786

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444850/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-14.6549

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.513333

>  <SCORE.INTRA>
-30.0549

>  <SCORE.INTRA.DIHEDRAL>
-9.0367

>  <SCORE.INTRA.DIHEDRAL.0>
19.8388

>  <SCORE.INTRA.POLAR>
-4.77864

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.28921

>  <SCORE.INTRA.VDW.0>
2.59876

>  <SCORE.INTRA.norm>
-1.00183

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.488498

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040933

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  203.0026  218.6135  247.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1793  219.6151  248.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1875  220.7638  248.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9108  218.9631  250.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8711  218.0913  250.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9254  217.8744  250.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3986  217.4577  251.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2443  216.1446  251.6530 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
73.39262402,2.13528206,79.65288364,203.06440218,218.09454025,250.26549609
1.52367971,0.06961037,-0.73207032

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444851/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.846

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-0.553996

>  <SCORE.INTRA.DIHEDRAL>
-1.25349

>  <SCORE.INTRA.DIHEDRAL.0>
3.46964

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0727482

>  <SCORE.INTRA.VDW.0>
0.109147

>  <SCORE.INTRA.norm>
-0.0692495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.98075

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017833

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  226.7057  185.2378  248.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7131  185.5326  246.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0962  186.3757  245.7991 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.7977  187.7282  246.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9759  187.8985  247.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8132  186.6048  247.2619 C   0  0  2  0  0  0  0  0  0  0  0  0
  229.3969  186.7893  245.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.5558  187.0806  245.3472 N   0  0  0  0  0  0  0  0  0  0  0  0
  231.6115  187.3268  246.1301 N   0  3  0  0  0  0  0  0  0  0  0  0
  231.5063  188.1108  247.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
  232.6835  186.8196  245.7974 O   0  5  0  0  0  0  0  0  0  0  0  0
  228.2658  186.6056  244.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6881  186.2431  248.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2777  184.1637  246.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  1  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
>  <CHROM.1>
-48.51887906,229.14840703,186.61441137,246.58629086,-2.85230034,-0.14859818
-0.98608959

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444852/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38556

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.0144433

>  <SCORE.INTRA.DIHEDRAL>
0.278337

>  <SCORE.INTRA.DIHEDRAL.0>
3.02061

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.153612

>  <SCORE.INTRA.VDW.0>
-0.097472

>  <SCORE.INTRA.norm>
-0.00103166

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.456111

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000344

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  195.2079  198.8069  242.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3983  198.7248  243.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8752  198.7945  244.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7170  197.7341  243.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5055  197.8210  241.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0250  197.7394  241.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1367  197.9362  243.6326 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6322  197.5130  244.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6588  198.3557  246.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1992  197.8245  247.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7126  196.5958  247.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6458  195.8800  246.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1381  196.2584  245.0112 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0889  198.8095  248.1084 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4914  199.8796  247.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2282  199.6490  246.2330 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4723  198.6621  249.4958 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5036  197.8715  250.3817 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.4219  197.5302  251.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7567  197.2347  250.8355 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7503  197.9818  249.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0136  197.5922  251.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0588  199.0047  251.8503 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4502  198.6427  252.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0119  196.6663  249.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5388  198.8282  243.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2193  199.2361  252.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5475  198.8090  252.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7220  196.2394  249.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 14  1  6  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  6  0  0  0
 19 20  1  0  0  0  0
 19 24  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <CHROM.1>
77.54187436,-90.29799301,-76.64419701,37.85643906,61.45957721,-63.53980371
55.64757995,199.51215344,197.99045425,247.14988665,2.15119089,0.51873408
-1.87240971

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444854/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.963332

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-8.43667

>  <SCORE.INTRA.DIHEDRAL>
-7.97236

>  <SCORE.INTRA.DIHEDRAL.0>
13.8385

>  <SCORE.INTRA.POLAR>
-0.722756

>  <SCORE.INTRA.POLAR.0>
-0.808905

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.99311

>  <SCORE.INTRA.VDW.0>
-1.00931

>  <SCORE.INTRA.norm>
-0.337467

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.0385333

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005922

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  192.9267  293.4766  254.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1607  293.3753  255.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3688  293.9386  256.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2843  294.6119  257.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0374  294.6927  256.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8469  294.1248  255.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1648  295.3610  257.5272 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8199  295.7230  258.6223 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1014  295.3233  258.4797 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0598  295.5966  259.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9525  294.4158  259.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3243  294.4768  259.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1353  293.3448  259.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5973  292.1310  260.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2369  292.0832  260.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4230  293.2182  260.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3408  290.9307  260.2386 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6798  290.7535  259.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4652  291.6543  259.6550 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1169  289.3681  259.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3549  288.8147  259.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2257  287.4164  259.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9147  287.1985  260.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2304  288.3724  260.3075 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8483  290.0964  260.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-39.54632005,114.00721417,0.65404240,179.02486953,195.68464161,292.49175741
258.80837378,2.98161555,-0.76300278,0.88786597

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444855/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.98471

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-0.415294

>  <SCORE.INTRA.DIHEDRAL>
-0.212971

>  <SCORE.INTRA.DIHEDRAL.0>
3.13789

>  <SCORE.INTRA.POLAR>
-0.0131136

>  <SCORE.INTRA.POLAR.0>
-0.113164

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.264222

>  <SCORE.INTRA.VDW.0>
-1.72093

>  <SCORE.INTRA.norm>
-0.0173039

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.374363

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000630

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  198.6130  204.1870  243.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4470  204.6739  243.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6016  203.5716  244.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2093  203.9823  245.1870 P   0  0  2  0  0  0  0  0  0  0  0  0
  194.4925  204.5474  243.9516 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7366  204.4167  246.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0509  202.6065  245.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
M  END
>  <CHROM.1>
-179.25339294,78.38256618,195.86689805,204.17097469,244.55715331,0.44850902
0.20473088,-1.19390309

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444856/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.127293

>  <SCORE.INTRA.VDW.0>
-0.452383

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028260

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  213.4205  197.9483  243.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0408  197.6842  245.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0587  196.7309  245.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4693  196.0210  244.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8514  196.3143  242.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8314  197.2704  242.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5545  194.9712  244.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0594  193.5309  244.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9644  193.1588  245.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0842  192.4655  246.2172 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8651  192.3216  246.8773 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8877  192.9547  246.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3496  193.6927  244.7939 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.5255  192.8952  246.7155 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0045  194.4284  247.2470 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.6058  195.4458  246.4327 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5500  194.3087  247.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6772  194.5745  248.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1944  194.4371  248.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9603  195.3410  248.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3514  195.2122  248.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0050  194.1746  248.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2697  193.2871  249.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8797  193.4223  249.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3780  192.1189  247.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
109.20087658,-57.00697022,-100.93687534,114.40223448,35.22866850,58.31884046
59.43679753,213.61535945,194.60614036,246.29971307,1.05264458,0.20485597
-0.97477803

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444857/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.83133

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-4.56867

>  <SCORE.INTRA.DIHEDRAL>
0.169256

>  <SCORE.INTRA.DIHEDRAL.0>
3.53595

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.65329

>  <SCORE.INTRA.VDW.0>
-3.11229

>  <SCORE.INTRA.norm>
-0.190361

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.326306

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001175

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  218.4298  183.2286  270.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3989  184.5480  270.4097 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4343  185.3872  270.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3914  185.8115  270.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4315  186.7127  270.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5055  187.1860  271.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5483  186.7687  272.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5074  185.8820  272.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6647  187.3542  274.3113 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.1077  187.2792  269.6071 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.1718  185.4443  268.7534 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2443  185.4447  267.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-112.92334812,-46.63038796,216.42365861,186.16080654,271.02044462,-1.62597169
-0.67228176,1.21892257

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444858/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.81271

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-1.58729

>  <SCORE.INTRA.DIHEDRAL>
5.35039

>  <SCORE.INTRA.DIHEDRAL.0>
1.32714

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.26249

>  <SCORE.INTRA.VDW.0>
4.55346

>  <SCORE.INTRA.norm>
-0.132274

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.484393

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000696

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  217.0168  179.1837  256.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1650  177.6757  256.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5773  177.1126  255.1078 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9350  175.8587  254.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8584  175.6954  253.8921 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1532  174.8087  255.1482 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9606  174.9349  255.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6126  174.7279  255.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4117  175.5144  253.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5856  176.9706  254.2034 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4021  177.5820  254.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1654  177.7018  253.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4640  178.3841  252.7208 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5629  177.7654  252.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8028  177.7253  252.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5467  173.4502  254.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7895  172.9012  253.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9930  173.5170  252.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3568  173.0567  251.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4894  171.9754  251.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2713  171.3498  252.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9263  171.7821  253.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6236  171.0128  254.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6251  177.3828  254.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
160.76230506,-91.60122700,104.95666143,-97.06549708,-49.13285649,-56.63883653
-76.80827174,66.57567199,214.79566863,175.34278349,254.00434596,-1.83704581
0.48817839,-2.80237319

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444859/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.22322

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-6.17678

>  <SCORE.INTRA.DIHEDRAL>
0.238956

>  <SCORE.INTRA.DIHEDRAL.0>
4.56264

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.89626

>  <SCORE.INTRA.VDW.0>
-1.7969

>  <SCORE.INTRA.norm>
-0.268556

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.314053

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007168

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  205.4988  197.1956  254.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5374  197.2028  253.8530 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3923  197.9324  252.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3851  197.9877  251.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6270  197.3188  251.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5908  197.4263  251.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6653  196.5419  253.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7032  196.4662  254.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9310  195.7719  255.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8734  198.7332  250.7258 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6157  199.1605  251.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3063  198.6660  252.3207 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8692  199.9751  250.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1522  201.4176  250.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4756  202.2162  249.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0035  202.0534  249.3015 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7174  200.5889  249.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4045  199.7318  250.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2894  202.6763  250.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7824  202.8896  250.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5523  203.7206  249.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3906  198.7651  249.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8220  197.7681  248.3567 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5892  196.3497  248.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6275  196.4330  249.9691 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6481  195.4398  250.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5080  195.3714  251.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3697  194.3582  252.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3659  193.3981  252.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5073  193.4634  252.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6545  194.4880  251.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5885  198.3296  247.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5171  196.0348  253.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5809  203.7984  248.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0624  198.6312  248.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 34  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <CHROM.1>
90.66824738,-86.28073475,163.11954139,-59.08050190,179.70690064,-40.78196091
61.67532676,-47.74751715,-155.68235437,-164.75319769,205.53890976,198.19681081
251.12056065,0.80366208,-0.70187196,2.14851234

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444860/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.69023

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-7.70977

>  <SCORE.INTRA.DIHEDRAL>
1.50401

>  <SCORE.INTRA.DIHEDRAL.0>
7.57121

>  <SCORE.INTRA.POLAR>
-0.88051

>  <SCORE.INTRA.POLAR.0>
-0.0877652

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.46804

>  <SCORE.INTRA.VDW.0>
-0.883014

>  <SCORE.INTRA.norm>
-0.24093

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.17782

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002707

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  196.8208  226.0471  256.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3923  226.1969  255.2575 As  0  0  0  0  0  0  0  0  0  0  0  0
  197.9585  225.5756  253.7966 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2272  227.9386  254.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6830  225.0017  255.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9850  225.3350  256.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
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2.72847371

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444861/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3466

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08

>  <SCORE.INTRA>
-0.0533986

>  <SCORE.INTRA.DIHEDRAL>
-0.0429241

>  <SCORE.INTRA.DIHEDRAL.0>
0.0751119

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-0.101021

>  <SCORE.INTRA.norm>
-0.0106797

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.06932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.088137

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  192.4828  214.0918  254.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6615  212.8043  254.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6605  212.2481  252.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7731  213.0315  251.7220 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5762  212.3858  250.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6699  213.2576  249.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2150  213.1558  250.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9082  214.1683  251.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2777  213.6192  252.4162 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6782  215.3111  253.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7123  215.4351  252.2414 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1569  213.9662  251.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.0318  214.2800  253.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.2891  213.5051  252.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6648  215.6346  251.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1462  216.2325  251.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <CHROM.1>
82.02638806,-81.81022364,-75.86970195,-170.07289705,-178.68049120,-75.08645239
87.24683311,-85.28007260,-177.39124856,-65.61260732,190.42085349,213.62734836
251.99930199,0.59893471,-0.52150939,0.69534807

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444864/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.9414

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.4

>  <SCORE.INTRA>
-2.45864

>  <SCORE.INTRA.DIHEDRAL>
10.001

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-0.770062

>  <SCORE.INTRA.norm>
-0.223513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
1.17649

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  198.3573  199.9232  249.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5474  201.3991  249.3029 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.9700  201.8569  249.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9524  202.1230  251.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6056  202.7747  251.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6403  202.3035  250.2499 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9281  203.5220  249.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7200  203.7107  249.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7555  204.4175  249.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2607  201.5447  247.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3844  205.2218  248.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
122.87987395,-179.56376904,198.15189199,202.38579066,249.70522639,0.52648299
0.66776601,-2.46795158

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.48984

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-1.91016

>  <SCORE.INTRA.DIHEDRAL>
-0.00185887

>  <SCORE.INTRA.DIHEDRAL.0>
0.792633

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.90923

>  <SCORE.INTRA.VDW.0>
1.13201

>  <SCORE.INTRA.norm>
-0.191016

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.448984

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.075044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  199.1671  216.0976  250.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2003  215.5800  249.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8932  215.0998  250.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9192  214.5850  248.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6128  214.1040  249.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6360  213.5916  248.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3296  213.1105  249.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3586  212.6091  248.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8446  212.0598  248.8628 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.75762537,179.94636164,179.86899255,179.98936152,179.67601116,-179.79518496
193.99863299,213.81361803,249.18708938,0.17834712,0.39128285,1.46584025

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444882/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.4005

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
0.000451437

>  <SCORE.INTRA.DIHEDRAL>
0.000906633

>  <SCORE.INTRA.DIHEDRAL.0>
2.33064e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.87964e-06

>  <SCORE.INTRA.VDW.0>
-0.851751

>  <SCORE.INTRA.norm>
5.01597e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.26672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014564

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  212.6951  190.8676  247.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8684  190.6745  248.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2839  190.9025  250.0264 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.0748  191.7339  249.8457 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8219  191.8912  248.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9332  192.9592  250.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2084  192.7915  252.0438 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.3847  194.0190  252.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2790  195.1360  253.1212 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.1671  194.5462  254.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9404  193.5434  253.4431 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.1249  192.4372  253.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1092  193.0744  254.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4021  193.3510  253.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5280  192.7723  254.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3471  191.8667  255.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0766  191.6463  255.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9588  192.2573  255.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7659  192.8884  253.7211 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5747  196.3560  253.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6864  196.2445  254.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9396  197.3451  255.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0602  198.6038  254.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9165  198.7244  253.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6665  197.6208  253.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2120  199.7614  255.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0096  199.8923  254.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3762  191.3643  251.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1815  190.8076  252.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7318  192.6562  252.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2221  193.7769  253.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5331  200.6563  254.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3038  191.0902  252.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <CHROM.1>
-142.97377219,-89.93119972,-147.98217910,60.14223555,-114.12926614,-48.33481587
-93.20733354,-179.77981328,-58.80419698,212.32120293,193.98380173,252.87378188
0.73048358,0.63106123,-2.17216877

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444883/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.25873

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-4.14127

>  <SCORE.INTRA.DIHEDRAL>
5.9036

>  <SCORE.INTRA.DIHEDRAL.0>
4.79044

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.69307

>  <SCORE.INTRA.VDW.0>
-1.46195

>  <SCORE.INTRA.norm>
-0.142803

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.284784

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001658

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  188.8390  209.7097  263.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3689  210.5413  262.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6036  211.1579  262.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3280  210.9401  263.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8107  210.0701  264.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5561  209.4691  264.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6009  209.6517  265.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8257  209.6779  265.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7700  209.1142  267.2637 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.5971  211.7128  263.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2463  211.9043  262.7896 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9749  212.4402  265.3617 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-35.53662513,-25.58423265,191.40266013,210.59291299,264.73337580,1.97870396
0.59315944,2.01709385

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444884/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.76612

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.633875

>  <SCORE.INTRA.DIHEDRAL>
-3.0122

>  <SCORE.INTRA.DIHEDRAL.0>
10.6452

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.872223

>  <SCORE.INTRA.VDW.0>
-1.37542

>  <SCORE.INTRA.norm>
-0.0528229

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.563844

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.067866

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  222.5375  179.4105  246.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3876  180.8921  246.1638 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.1980  181.7253  247.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2349  182.4735  247.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2269  181.6421  248.3521 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1302  182.3258  249.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2288  183.3387  249.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9936  184.7211  249.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0355  185.6117  250.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3258  185.1279  250.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5912  183.7661  250.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5498  182.8775  249.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5993  186.2209  250.7302 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  222.4215  185.3885  249.6169 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.4764  181.3750  245.2917 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.0667  181.4407  245.8116 S   0  0  0  0  0  0  0  0  0  0  0  0
  225.1199  180.6174  246.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.9385  181.1996  244.6826 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.2470  183.1273  246.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1234  183.9623  246.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2669  185.2946  246.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5209  185.7733  247.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6384  184.9437  247.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5029  183.6079  246.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6542  187.0548  247.4584 F   0  0  0  0  0  0  0  0  0  0  0  0
  224.0360  181.0698  248.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.2505  182.0628  244.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-124.56425162,-66.08204737,-119.75064598,113.47505879,15.85521117,5.89340396
224.61567878,183.50053484,247.97236726,1.99307845,-0.39362820,-2.32063767

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444885/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.75329

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-7.64671

>  <SCORE.INTRA.DIHEDRAL>
-1.25201

>  <SCORE.INTRA.DIHEDRAL.0>
6.93607

>  <SCORE.INTRA.POLAR>
-0.746173

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.48372

>  <SCORE.INTRA.VDW.0>
-3.47966

>  <SCORE.INTRA.norm>
-0.305868

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.150132

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000413

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 66 70  0  0  0  0  0  0  0  0999 V2000
  195.1131  217.2882  265.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6318  216.9491  265.7775 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.2999  215.8447  264.7484 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8788  214.4663  265.0761 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7462  213.5488  264.7983 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5032  214.2707  265.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8348  215.6356  264.7440 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9830  216.7474  264.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4830  217.9801  265.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8270  218.1646  265.4643 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6605  219.0657  264.9603 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4059  218.9341  264.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8072  217.8093  264.2247 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4969  216.6424  264.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9318  215.5473  264.5376 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7948  220.1114  264.2080 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7046  212.7420  263.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4887  213.2267  262.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1951  212.6575  261.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0237  211.5453  261.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8909  210.8658  262.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1977  211.4458  263.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1380  211.1189  260.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6675  210.4683  259.2994 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2682  211.4576  258.1884 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.9704  210.7811  256.8239 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7843  209.7932  256.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9801  208.6789  257.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8815  208.5477  258.5976 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.9552  207.2465  259.4215 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.2770  207.6683  260.7258 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7459  209.1225  260.8776 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8832  209.6419  259.5241 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8763  210.1431  261.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5492  210.3291  261.1978 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1553  210.9374  259.7612 P   0  0  1  0  0  0  0  0  0  0  0  0
  190.2831  211.5005  258.9714 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5173  209.6958  258.9717 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8582  211.8956  259.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9252  213.2493  260.2380 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.5623  213.9746  260.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4754  215.4730  260.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0844  216.0468  260.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4330  216.3922  261.2388 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6369  216.1262  259.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1534  213.1106  261.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7754  212.1647  262.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8826  214.1277  262.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8598  207.5361  260.6185 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3111  206.8612  259.6833 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8031  211.8022  255.8278 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1175  212.2224  258.5769 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7632  209.6631  258.8211 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2238  214.1775  264.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2879  218.8006  264.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1081  219.9628  264.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.7857  220.0700  264.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0925  220.4643  263.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0131  208.8846  259.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.7314  216.4806  258.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.9822  214.0255  263.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4408  207.8155  261.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7216  207.6387  260.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0820  212.3764  256.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4024  211.5771  258.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9214  208.9701  259.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 54  1  6  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  1  0  0  0  0
 11 56  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  1  0  0  0
 26 27  1  1  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  6  0  0  0
 29 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  1  0  0  0
 31 32  1  0  0  0  0
 31 49  1  6  0  0  0
 32 33  1  0  0  0  0
 32 34  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  6  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 38 59  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 46  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 60  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 61  1  0  0  0  0
 49 62  1  0  0  0  0
 50 63  1  0  0  0  0
 51 64  1  0  0  0  0
 52 65  1  0  0  0  0
 53 66  1  0  0  0  0
M  END
>  <CHROM.1>
-71.77306196,-152.92437259,-73.44172626,82.77967374,172.66774712,63.80179695
62.62010558,-58.65637908,-61.15571580,-56.97155539,125.25420427,171.44161072
55.00208253,-179.47044665,-57.27303934,-64.35635472,-8.61230360,-38.09065539
79.44095680,175.89240528,-174.78288164,-28.08978081,-176.16222916,108.68468045
178.99140936,178.00450864,191.06742474,212.91859435,261.50267881,-1.83522314
0.31355417,-2.47082183

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444886/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.26679

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-28.6668

>  <SCORE.INTRA.DIHEDRAL>
-19.0898

>  <SCORE.INTRA.DIHEDRAL.0>
38.1342

>  <SCORE.INTRA.POLAR>
-1.9195

>  <SCORE.INTRA.POLAR.0>
-0.98326

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.5956

>  <SCORE.INTRA.VDW.0>
-0.362088

>  <SCORE.INTRA.norm>
-0.530867

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
-0.0975332

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004112

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 47  0  0  0  0  0  0  0  0999 V2000
  190.2515  220.8369  256.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2002  221.8998  256.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8769  222.8986  257.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9069  223.9721  257.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3776  223.7030  257.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5991  222.8112  256.2739 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5967  221.6919  256.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9304  220.5995  255.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9239  222.2388  256.4296 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9892  224.0061  259.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5540  225.4100  257.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5614  222.7216  258.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8481  223.4331  259.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6100  222.9044  259.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2390  221.6032  259.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0640  220.5327  259.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8033  219.2389  259.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8420  218.3503  258.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1387  218.6099  258.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8069  219.8453  259.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1791  220.0461  259.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2313  220.8783  259.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5645  221.0495  259.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5692  220.2356  258.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2157  222.0457  260.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5984  222.8982  261.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2515  223.7862  262.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6721  224.6652  263.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1885  224.8629  263.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5068  225.5411  264.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8289  225.5578  264.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5588  226.2809  265.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9100  226.2016  265.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7031  226.8322  266.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9115  226.5960  266.3408 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0283  227.7246  267.2844 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5344  227.9529  267.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7241  227.1302  266.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7792  226.1878  266.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8383  228.1636  265.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3210  227.3049  268.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7881  225.4467  264.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2574  217.0270  258.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7966  223.8521  260.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5647  222.9604  256.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0221  226.3836  268.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  1  0  0  0
  7  8  2  0  0  0  0
  9 45  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 38  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 42  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 41 46  1  0  0  0  0
M  END
>  <CHROM.1>
-178.77942577,-63.59487823,16.55101950,-178.94006239,22.71448897,-175.86594606
175.80439822,-4.06901405,178.53309248,0.36066368,177.03872103,-58.15340940
193.50044499,223.34202642,260.97372380,-2.26031661,0.10142016,1.03103052

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444887/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.61432

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-18.0143

>  <SCORE.INTRA.DIHEDRAL>
-35.0701

>  <SCORE.INTRA.DIHEDRAL.0>
38.584

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.479263

>  <SCORE.INTRA.VDW.0>
-1.99597

>  <SCORE.INTRA.norm>
-0.409416

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
-0.0594164

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.067679

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  184.5803  205.6656  258.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4643  206.4250  259.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5430  205.7700  260.4907 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3552  206.3627  261.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8963  207.3925  262.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3752  205.6080  262.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0428  206.0424  263.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7454  204.3928  261.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7305  203.2369  261.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5754  202.2454  262.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
M  END
>  <CHROM.1>
-179.89021781,0.34007368,-179.37668720,79.15005719,-164.02045260,183.27009304
205.38597234,261.37180534,-0.23870513,-1.07808770,-2.90416524

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444888/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.52536

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-1.87464

>  <SCORE.INTRA.DIHEDRAL>
-3.55787

>  <SCORE.INTRA.DIHEDRAL.0>
4.83132

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0957042

>  <SCORE.INTRA.VDW.0>
1.09253

>  <SCORE.INTRA.norm>
-0.187464

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.852536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048375

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  207.3811  215.4380  249.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9695  215.3655  249.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5374  216.6961  248.8581 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2756  216.8132  248.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6293  218.0057  248.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3205  218.2090  248.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6340  217.2349  247.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3046  216.0585  247.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6273  215.8564  247.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2573  217.4584  247.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5353  216.4460  246.6175 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2011  216.5717  246.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5525  217.5698  247.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1418  217.6123  247.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4159  216.7824  246.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0681  215.8136  245.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4520  215.6938  245.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5598  217.0331  246.3444 Br  0  0  0  0  0  0  0  0  0  0  0  0
  198.3963  218.5379  247.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6645  218.6529  247.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3912  218.8814  249.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7993  219.9034  249.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9488  217.9740  250.3823 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5463  216.6779  250.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7966  216.3720  250.8625 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5202  216.5168  252.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9113  217.8944  252.6657 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6575  218.1455  251.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6118  218.0148  254.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3179  214.9753  250.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 20  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  1  0  0  0
M  END
>  <CHROM.1>
179.81658020,150.71830340,-167.70494776,-101.05661517,199.27837907,217.08928281
248.48664610,-0.27304838,0.14179022,-1.82599356

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444889/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.4989

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-1.9011

>  <SCORE.INTRA.DIHEDRAL>
1.6196

>  <SCORE.INTRA.DIHEDRAL.0>
11.3367

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.7109

>  <SCORE.INTRA.VDW.0>
0.62118

>  <SCORE.INTRA.norm>
-0.0633701

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.249963

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000080

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  201.5841  212.0125  241.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5455  212.6668  241.9766 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6924  211.8546  242.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3261  212.3300  243.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4572  211.5998  244.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9296  210.3895  244.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2815  209.9183  243.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1581  210.6523  242.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0122  209.5965  245.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4961  208.4682  244.7643 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7272  208.0031  245.8011 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7181  208.9090  246.9595 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.6283  210.0564  246.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2390  208.3012  248.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7250  208.7212  249.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2540  208.2213  250.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3014  207.3040  250.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8159  206.8711  249.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2893  207.3709  248.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0428  206.6473  252.2538 Br  0  0  0  0  0  0  0  0  0  0  0  0
  194.9764  206.8389  245.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2806  206.3578  246.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0886  206.1531  244.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4718  205.5632  244.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8265  205.5848  242.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9120  204.5831  241.9246 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0714  206.8269  242.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9750  207.5259  242.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
139.52446413,-179.99443232,-148.59032903,68.56274324,-149.12749846,-110.32086752
-0.40477107,197.41275317,208.26087179,246.48234959,-1.30979556,0.96931408
1.70168764

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444890/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.15593

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.24407

>  <SCORE.INTRA.DIHEDRAL>
1.90112

>  <SCORE.INTRA.DIHEDRAL.0>
6.11411

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.52089

>  <SCORE.INTRA.VDW.0>
1.41691

>  <SCORE.INTRA.norm>
-0.120151

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.302072

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000239

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  188.0549  208.4649  267.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3774  207.8279  268.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5215  207.9479  267.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6822  208.7312  266.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7972  209.3364  265.4995 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9581  208.5695  265.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2432  209.2421  264.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6582  209.0258  263.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9735  208.4230  262.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5853  208.0486  262.3822 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.3496  206.9618  269.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-2.51665780,178.12843888,-179.81702859,118.60803130,191.86339374,208.37748096
265.34452585,2.54684003,-0.45858342,2.20891440

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444891/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.07083

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-5.32917

>  <SCORE.INTRA.DIHEDRAL>
-11.6477

>  <SCORE.INTRA.DIHEDRAL.0>
11.7137

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.122932

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.370075

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035860

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  227.2181  166.8617  254.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5785  168.2217  254.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5647  168.3894  255.5243 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.2564  169.1791  254.1166 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.9233  170.5468  254.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6473  171.3555  253.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2958  172.7008  252.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2246  173.2648  253.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5667  172.4735  254.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9073  171.1285  254.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8284  174.6563  253.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8124  175.2700  254.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3142  176.6214  253.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2099  177.1089  254.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6474  178.3480  254.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1821  179.0990  253.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2707  178.6356  252.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8326  177.3960  252.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6320  180.2781  252.7903 F   0  0  0  0  0  0  0  0  0  0  0  0
  227.9751  168.8509  253.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-174.65729632,-179.98742104,177.73506675,225.33285538,173.76733215,253.85510816
1.16753694,-0.59398048,2.77041700

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444892/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34624

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-3.05376

>  <SCORE.INTRA.DIHEDRAL>
-6.8362

>  <SCORE.INTRA.DIHEDRAL.0>
6.94047

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.364338

>  <SCORE.INTRA.VDW.0>
-0.269255

>  <SCORE.INTRA.norm>
-0.160724

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.281381

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000691

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  193.9157  211.0528  248.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5739  212.2148  247.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6918  212.1288  246.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2569  213.1635  245.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7240  214.2994  246.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6324  214.3894  247.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0725  213.3561  248.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9678  213.6095  249.9930 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1407  212.5948  250.6938 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0330  212.8133  252.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7574  214.0775  252.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6457  214.1755  254.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8456  213.0660  254.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1082  211.8117  254.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2582  210.6916  255.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4871  209.4242  254.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5750  209.2646  253.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4402  210.3723  252.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2004  211.6717  252.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3521  215.2032  251.9424 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3924  214.9985  250.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8328  216.0591  252.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
39.80262605,-0.30401029,-6.17783391,195.02141169,212.49247274,251.02770547
-1.75322583,-1.50354439,1.63707385

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444893/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.77385

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.626154

>  <SCORE.INTRA.DIHEDRAL>
-1.7882

>  <SCORE.INTRA.DIHEDRAL.0>
4.64836

>  <SCORE.INTRA.POLAR>
-0.0668642

>  <SCORE.INTRA.POLAR.0>
-0.610304

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.495286

>  <SCORE.INTRA.VDW.0>
-0.696359

>  <SCORE.INTRA.norm>
-0.0313077

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.388692

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 50  0  0  0  0  0  0  0  0999 V2000
  212.9211  178.1961  252.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1345  177.6830  252.1872 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0158  176.2304  251.6977 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.0366  176.1501  250.5084 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.3455  177.1896  249.4111 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4953  178.5926  250.0384 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.4569  178.5686  251.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8212  179.5775  249.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9685  180.9333  249.5156 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6634  181.4774  250.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7566  182.9446  250.4979 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.9989  183.7540  249.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1076  183.2025  248.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5509  181.8659  248.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6402  181.4417  247.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2498  182.2967  246.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7594  183.5908  246.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6880  184.0354  247.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2188  185.3062  247.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3727  184.4913  245.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9514  185.6238  245.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5321  184.0375  244.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0465  182.7503  244.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3794  181.8174  245.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7400  180.6509  245.8718 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1603  182.3630  244.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7156  183.2703  243.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1869  184.5514  243.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1051  184.9363  243.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6595  181.1013  244.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0072  180.3239  243.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1528  180.1908  247.8242 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3952  183.3358  251.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6805  184.2500  250.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9569  182.6156  252.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0482  182.3078  253.2776 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8149  183.1409  251.4293 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2578  176.6320  248.3457 I   0  0  0  0  0  0  0  0  0  0  0  0
  212.9543  174.8264  249.9783 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6565  175.3504  252.7685 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6674  185.7960  246.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5087  179.6018  248.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6761  181.8486  254.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.5867  182.7095  252.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3126  174.8388  249.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6023  174.4412  252.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  1  1  0  0  0
  4  5  1  0  0  0  0
  4 39  1  6  0  0  0
  5  6  1  0  0  0  0
  5 38  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  1  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 29  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 42  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 43  1  0  0  0  0
 37 44  1  0  0  0  0
 39 45  1  0  0  0  0
 40 46  1  0  0  0  0
M  END
>  <CHROM.1>
-179.19450841,179.10636774,179.28574525,-63.18619857,-120.67568331,-68.22468227
20.90687463,-179.42527646,136.16257235,35.43180539,-179.47159080,215.04299868
180.42721111,248.35563481,2.31156786,-0.83943650,2.92535897

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444894/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.82959

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.26

>  <SCORE.INTRA>
-8.57041

>  <SCORE.INTRA.DIHEDRAL>
-5.14276

>  <SCORE.INTRA.DIHEDRAL.0>
10.5059

>  <SCORE.INTRA.POLAR>
-0.821651

>  <SCORE.INTRA.POLAR.0>
-0.792103

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.20541

>  <SCORE.INTRA.VDW.0>
3.32661

>  <SCORE.INTRA.norm>
-0.21426

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.0457399

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001582

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  191.3020  197.5929  250.8391 C   0  5  0  0  0  0  0  0  0  0  0  0
  190.3408  198.6918  251.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2189  198.6834  250.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5186  199.7394  252.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4157  200.2763  253.0835 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.2763  199.1601  253.4846 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.2260  200.8153  251.9811 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.7878  197.7392  251.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2903  196.8388  251.7797 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6902  198.9434  251.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9269  198.6324  250.5266 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.1159  199.8230  250.1212 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.8421  199.5974  252.2268 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  1   1  -1
M  END
>  <CHROM.1>
170.12774831,126.06883454,-156.33416514,-132.93619812,191.96789249,199.06359819
251.66137309,0.37057378,-0.17134536,-2.66961608

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444895/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.82006

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-2.57994

>  <SCORE.INTRA.DIHEDRAL>
-0.211495

>  <SCORE.INTRA.DIHEDRAL.0>
2.01248

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.47419

>  <SCORE.INTRA.VDW.0>
-0.273534

>  <SCORE.INTRA.norm>
-0.198457

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.52462

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.204289

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  201.3179  223.5449  256.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6907  224.7752  256.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6149  225.8439  255.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0500  226.9540  255.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8780  227.0028  254.8748 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0130  228.0003  254.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3915  227.8357  255.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0358  228.8971  254.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0967  229.7903  254.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8118  229.3110  254.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7011  230.1433  253.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0192  231.4453  253.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3208  231.8616  253.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3964  231.0181  253.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0425  232.3808  253.2836 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2627  229.7073  254.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3796  230.6478  254.9237 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9625  230.2508  254.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7416  230.5692  256.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2362  226.7032  255.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9389  225.6510  254.2365 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4720  225.1174  253.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7104  225.9398  252.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5517  225.4548  251.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1350  224.1454  252.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8772  223.3206  252.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0359  223.8014  253.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2399  232.0986  253.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-179.68051523,-4.71777140,6.60107179,98.69622118,128.32058778,19.46031331
168.08763110,-56.78679041,72.84642010,201.67457240,227.70161744,254.31834703
1.11940424,-0.23698549,3.05459803

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444896/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.88269

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-11.5173

>  <SCORE.INTRA.DIHEDRAL>
-15.1295

>  <SCORE.INTRA.DIHEDRAL.0>
19.6323

>  <SCORE.INTRA.POLAR>
-0.00107823

>  <SCORE.INTRA.POLAR.0>
-0.920995

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.9489

>  <SCORE.INTRA.VDW.0>
0.267887

>  <SCORE.INTRA.norm>
-0.426567

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0697292

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000222

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  214.2955  177.3638  240.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2395  176.9664  241.4557 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3098  175.7294  242.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3068  174.5470  241.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5024  173.3039  241.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7139  173.2276  243.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6881  174.3913  244.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4447  175.6501  243.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3931  176.7344  244.3452 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7883  177.9729  244.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1131  178.3527  243.2514 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9481  178.8190  245.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5000  180.1047  245.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9004  180.4360  246.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5734  179.3394  247.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6117  178.3497  246.4835 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7110  176.5495  245.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-62.67463432,23.88523908,179.92100351,213.27378243,176.99325679,243.82253746
0.91691210,1.43684691,-1.75608176

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444897/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.97779

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-0.422208

>  <SCORE.INTRA.DIHEDRAL>
3.44719

>  <SCORE.INTRA.DIHEDRAL.0>
1.75383

>  <SCORE.INTRA.POLAR>
-0.000772913

>  <SCORE.INTRA.POLAR.0>
-0.198941

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.14317

>  <SCORE.INTRA.VDW.0>
1.6416

>  <SCORE.INTRA.norm>
-0.026388

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.498612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000214

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  153.3232  104.2634  271.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.5241  104.9540  270.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  155.8119  104.4134  271.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.5715  104.5177  269.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.3636  106.5175  270.8305 C   0  0  1  0  0  0  0  0  0  0  0  0
  154.1276  107.2543  272.1944 C   0  0  1  0  0  0  0  0  0  0  0  0
  155.2584  107.1917  273.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  156.5694  107.8648  272.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
  157.6156  107.1471  272.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
  158.7637  107.8015  271.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  158.8964  109.1753  272.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
  157.9081  109.8901  272.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  156.7592  109.2316  273.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  160.2849  109.9917  271.4655 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  153.6854  108.6515  272.0088 N   0  0  0  0  0  0  0  0  0  0  0  0
  152.5705  109.2910  272.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
  152.4796  110.4804  271.9151 N   0  0  0  0  0  0  0  0  0  0  0  0
  153.5940  110.5444  271.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.3890  109.4730  271.1915 N   0  0  0  0  0  0  0  0  0  0  0  0
  155.4084  107.1322  270.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
  155.3405  108.1025  270.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  1  0  0  0
  6  7  1  1  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
54.71362696,64.09072811,-176.89693623,64.99204584,123.41529048,-92.69756869
155.85200657,107.90237717,271.66909297,-2.59661347,-0.00631305,0.22252322

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444898/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.03087

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-3.36913

>  <SCORE.INTRA.DIHEDRAL>
-0.130985

>  <SCORE.INTRA.DIHEDRAL.0>
5.51029

>  <SCORE.INTRA.POLAR>
-0.792895

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.607796

>  <SCORE.INTRA.VDW.0>
-2.72827

>  <SCORE.INTRA.norm>
-0.168457

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.351543

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000414

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  209.5153  198.4972  245.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7231  199.4077  244.7889 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7124  199.2119  243.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0309  200.3189  242.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0515  200.1717  241.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7042  198.9500  240.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3420  197.8655  241.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3499  197.9970  242.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7115  198.8068  239.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0171  199.7307  238.4317 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3463  201.4960  243.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6376  202.6510  242.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-127.09895565,-128.95544346,0.13643656,208.86118228,199.65101463,242.22932949
1.01009931,1.48672755,2.06293152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444899/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.59186

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-0.808139

>  <SCORE.INTRA.DIHEDRAL>
4.5222

>  <SCORE.INTRA.DIHEDRAL.0>
1.61924

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.06924

>  <SCORE.INTRA.VDW.0>
4.35929

>  <SCORE.INTRA.norm>
-0.0673449

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.632655

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001954

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  211.1851  193.0352  247.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8466  191.5876  247.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0212  191.6249  245.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9325  190.5831  244.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2414  190.9020  243.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6253  192.2048  243.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7548  193.2384  244.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1769  194.5794  243.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2848  195.4611  245.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9796  195.0540  246.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5540  193.7427  246.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4428  192.8862  245.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9587  192.5170  241.3046 Br  0  0  0  0  0  0  0  0  0  0  0  0
  210.5369  189.2953  245.2661 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3047  188.5198  246.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0116  188.2576  247.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5319  187.9108  245.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3668  187.1626  246.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5807  186.6624  245.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9685  186.9154  244.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1366  187.6509  243.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9159  188.1483  244.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5475  189.0847  245.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-65.79145019,108.98125556,177.47154223,212.02817037,191.10425862,244.47485388
2.18317260,1.25461285,-0.96402752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444900/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.63161

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-2.76839

>  <SCORE.INTRA.DIHEDRAL>
-3.95267

>  <SCORE.INTRA.DIHEDRAL.0>
4.93535

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.792058

>  <SCORE.INTRA.VDW.0>
-0.857266

>  <SCORE.INTRA.norm>
-0.125836

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.255982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000397

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  223.1786  185.4508  241.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3138  184.4621  240.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1322  184.9143  239.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3584  184.0727  238.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8175  183.7829  237.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0884  182.9739  236.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8744  182.4413  236.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4020  182.7003  238.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1648  183.5015  239.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0717  182.1143  238.6739 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.8965  182.6578  237.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9528  181.8390  237.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7154  182.3387  236.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4271  183.8296  236.8868 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.7302  184.5888  236.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7730  184.1293  237.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5030  184.9407  238.1795 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8394  184.1638  238.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8107  185.1195  238.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2636  185.4779  239.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7280  184.8756  240.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7382  183.9236  240.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2876  183.5693  239.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0497  185.3033  242.2741 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.0536  180.4768  237.5084 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1216  179.8388  238.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1078  180.5698  238.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2886  179.8930  239.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6582  178.7613  239.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9084  180.7186  240.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0791  180.1623  240.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0844  178.3289  238.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9990  184.3010  236.8725 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3188  179.8920  237.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.3353  184.8421  237.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  6  0  0  0
 10 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <CHROM.1>
179.87571727,-135.09129389,-0.45346041,-63.67485234,-138.85307878,-155.48160271
-178.26409102,217.56658739,183.00937337,238.85185660,-0.22535442,0.03760677
0.37245326

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444901/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2372

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-1.1628

>  <SCORE.INTRA.DIHEDRAL>
0.270112

>  <SCORE.INTRA.DIHEDRAL.0>
5.22294

>  <SCORE.INTRA.POLAR>
-0.00285946

>  <SCORE.INTRA.POLAR.0>
-0.3347

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.28813

>  <SCORE.INTRA.VDW.0>
1.21373

>  <SCORE.INTRA.norm>
-0.0352363

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.310218

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000128

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
128129  0  0  0  0  0  0  0  0999 V2000
  200.4105  226.2600  263.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5369  225.9304  263.1186 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3934  225.8468  261.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4183  224.3723  261.7291 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1706  224.2553  260.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3390  222.8619  260.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6855  222.5408  259.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3608  222.2888  260.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7597  221.3631  259.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4660  220.9385  259.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1934  219.7954  259.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9049  219.1609  259.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3640  218.2361  258.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0808  217.6436  258.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5833  216.6250  258.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3152  215.9756  258.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7554  216.2579  259.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8197  215.0454  257.6488 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4803  214.4691  257.8664 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.5191  215.5938  257.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9975  215.6709  256.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3218  216.4849  258.5362 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3577  217.5563  258.2913 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.9977  216.9836  258.5876 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.8870  218.0552  258.2817 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.5220  217.4993  258.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0438  216.6075  257.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0164  215.8548  257.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2563  216.2219  258.9775 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.0381  215.6386  260.3853 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.0948  216.9379  261.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2303  218.1319  262.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2356  219.1622  262.3563 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.1671  220.4513  262.7354 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3439  221.6331  262.5962 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4986  222.6248  262.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7373  223.6961  262.6486 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.4706  225.0592  262.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6104  223.7072  261.7946 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5029  220.4038  261.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6417  220.4628  263.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3966  217.6633  262.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3770  218.1802  263.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6811  214.2845  259.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0862  217.5876  259.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.8037  214.6646  256.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6980  219.2568  259.0813 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.1042  220.1251  258.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7206  220.2363  257.2397 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.9711  221.0863  259.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7233  221.5670  258.4097 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
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-51.64362924,-145.57614702,65.55509529,109.01667026,-173.03454572,-2.85445848
140.05651115,-32.06688967,158.74596614,-49.04705518,80.13324378,-67.18468133
-53.81865825,-162.30395912,76.40352567,83.77702774,-114.11629388,-52.51797345
121.67472057,69.63353514,-72.13038461,68.14967939,-170.55862073,104.48645600
-179.43832612,61.35302684,177.65049088,93.99517520,111.08999428,117.55684620
167.49031447,-48.33470887,171.53781487,-4.46159952,176.56313437,-113.39175783
-59.65912774,-177.77781348,191.05570192,218.19099953,257.96044376,0.03431335
0.03868081,0.68138426

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444902/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-94.4394

>  <SCORE.INTER>
36.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
31

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-130.839

>  <SCORE.INTRA.DIHEDRAL>
-3.16764

>  <SCORE.INTRA.DIHEDRAL.0>
57.9919

>  <SCORE.INTRA.POLAR>
-2.66

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
122.815

>  <SCORE.INTRA.norm>
-1.16821

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
112

>  <SCORE.norm>
-0.843209

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.947056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  6  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 32  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 44  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <CHROM.1>
67.55538520,171.22424424,15.69250224,164.64955538,97.87565445,-135.25909638
-179.64439082,161.49902849,65.93213539,71.54177625,-72.05057518,174.22297513
125.85122352,-67.51704822,-77.36842932,93.59614114,-177.87863482,62.06895837
202.81976705,207.54223537,246.48703039,-1.73628411,-0.51847235,-0.01162401

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444903/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.5468

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
1.43636

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-4.55434

>  <SCORE.INTRA.norm>
-0.303928

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.296072

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001289

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  199.1913  206.3889  260.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8847  205.3708  259.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6774  204.6785  259.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7776  205.0008  260.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0593  206.0644  261.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2774  206.7389  261.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6184  204.2568  260.3031 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9652  204.1131  261.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6130  203.9137  262.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8730  203.8460  263.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4754  203.9018  263.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8210  204.0293  262.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5693  204.1324  261.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7588  203.8678  265.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3725  203.7508  266.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2555  203.9426  265.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6564  203.9049  266.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
153.84386127,-40.13856050,-2.32763475,179.41850058,195.04471843,204.56471287
262.43499186,-0.66125547,0.41614308,1.40297202

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444904/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
8.3069

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-1.0931

>  <SCORE.INTRA.DIHEDRAL>
-2.94378

>  <SCORE.INTRA.DIHEDRAL.0>
5.88303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.488641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010643

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  182.6780  212.8566  267.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6426  212.6196  266.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5432  211.8926  265.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3936  211.7637  264.0046 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.3541  212.3482  263.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4409  213.0421  263.9439 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.5146  213.2543  265.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7091  213.9671  265.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3838  212.1585  261.9697 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.0340  213.2105  261.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0292  214.5481  261.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7255  215.6059  260.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4678  215.3546  259.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4828  214.0432  258.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7281  212.9617  259.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6253  211.6350  259.2274 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.5357  210.6290  259.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0477  209.0349  259.5062 S   0  0  0  0  0  0  0  0  0  0  0  0
  183.8481  210.9597  259.6499 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.6908  210.2447  260.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6573  210.4859  261.8511 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4766  209.7841  262.7091 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2930  208.8125  262.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3215  208.5323  260.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5362  209.2837  260.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1458  208.1453  263.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0782  207.1507  262.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9266  206.5714  263.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8596  206.9710  265.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9363  207.9388  265.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0904  208.5159  264.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7288  211.2071  265.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0768  211.2057  263.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.2001  211.6841  261.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.8907  211.4314  258.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.1224  211.9153  259.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 16 35  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
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 20 21  2  0  0  0  0
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 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
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M  END
>  <CHROM.1>
-139.94716456,18.52240473,-48.03020929,145.09804130,-81.39905694,-177.57521194
183.85240159,211.05056200,262.46221275,3.01552275,0.79860278,-1.80620058

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444905/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.57372

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-8.82628

>  <SCORE.INTRA.DIHEDRAL>
1.79713

>  <SCORE.INTRA.DIHEDRAL.0>
6.0748

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
0.273233

>  <SCORE.INTRA.VDW.0>
-4.31943

>  <SCORE.INTRA.norm>
-0.275821

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0804289

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000012

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  210.3362  181.8239  242.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5282  182.7642  242.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3746  183.5942  243.9835 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3397  184.5287  244.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2587  184.7698  243.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0379  185.3852  245.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9603  185.2558  246.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7104  186.6256  247.1890 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.1799  187.3270  246.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7782  186.5747  245.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0342  184.2558  246.4253 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4879  182.9629  246.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5058  182.6741  247.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5928  181.8718  246.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0372  180.5579  246.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2506  179.4978  245.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9927  179.6926  245.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5830  181.0343  245.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3632  182.1126  245.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2588  178.6198  244.7496 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0975  178.1074  245.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2161  178.3146  243.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1617  184.5215  246.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-179.75900437,6.30563950,4.24249969,52.15732927,35.22466888,175.42566083
104.56594555,210.16230318,182.84403812,245.36779229,-2.43329782,0.80297870
0.84969322

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444922/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
3.49095

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.404957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.158679

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000776

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  197.1268  217.8317  253.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8135  217.9490  253.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4504  219.0029  252.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3910  219.9723  251.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7172  219.8236  252.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0828  218.7591  253.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9362  221.0974  251.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9038  221.5610  249.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1073  222.7773  249.8613 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6669  220.5963  249.3103 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1506  219.3215  249.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9491  218.9188  249.4015 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8428  217.5575  249.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9406  216.9152  248.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1348  218.1068  248.3591 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.9685  215.5206  248.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8854  214.7858  249.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7949  215.4108  249.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7531  216.7984  249.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9082  213.0690  248.9700 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.9491  220.8896  248.8446 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6810  221.6188  249.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0510  221.9142  249.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0130  222.6700  249.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1646  222.6417  249.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8316  221.8758  248.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5564  221.4229  248.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-141.73923364,-132.32328055,2.54576718,39.17664973,178.39350090,197.70914250
218.87493325,249.88954277,2.43485808,-0.67876432,-2.56419589

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444923/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.94253

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-1.45747

>  <SCORE.INTRA.DIHEDRAL>
-0.138406

>  <SCORE.INTRA.DIHEDRAL.0>
5.13427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.38827

>  <SCORE.INTRA.VDW.0>
-1.2212

>  <SCORE.INTRA.norm>
-0.0539805

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.331205

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  200.1009  221.5120  253.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5211  220.7200  254.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1700  219.5631  255.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4024  219.1783  254.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9802  220.0010  253.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3341  221.1547  253.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0327  218.0018  254.9250 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8359  217.8021  256.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0883  218.4102  256.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8392  218.2263  257.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3447  217.4317  258.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1060  216.8093  258.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3594  216.9883  257.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2183  217.3189  254.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
-82.39473705,-66.05811957,202.16278375,218.89783350,255.57478102,-2.14694133
0.01131880,2.28593798

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444924/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85476

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.545236

>  <SCORE.INTRA.DIHEDRAL>
0.000993731

>  <SCORE.INTRA.DIHEDRAL.0>
0.95793

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.545733

>  <SCORE.INTRA.VDW.0>
-0.746181

>  <SCORE.INTRA.norm>
-0.0419412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.52729

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000781

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  183.9576  214.6136  263.7029 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.3457  214.2742  263.2016 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.2569  214.9440  264.2105 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.3648  213.9346  264.4373 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.6772  212.6262  264.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0642  211.5088  264.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5774  212.8676  263.3123 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4821  214.2148  263.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4859  215.1737  265.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.1803  214.6148  265.2177 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.2158  215.3813  265.9061 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5559  215.9161  263.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1803  213.5577  263.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.4328  215.3235  266.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.6529  216.0937  263.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  6  0  0  0
  2  7  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  6  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
178.83747414,179.52310695,179.86704047,185.57869355,214.19586147,264.24398424
2.56826290,0.13605738,0.08431552

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444925/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.14487

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-4.25513

>  <SCORE.INTRA.DIHEDRAL>
-6.61216

>  <SCORE.INTRA.DIHEDRAL.0>
7.00603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.949053

>  <SCORE.INTRA.VDW.0>
0.627199

>  <SCORE.INTRA.norm>
-0.354594

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.0954056

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002327

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 49  0  0  0  0  0  0  0  0999 V2000
  206.3990  204.8969  246.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5242  205.2198  247.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8537  204.8901  247.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4936  206.6809  248.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2687  207.1269  249.2577 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0678  206.4113  250.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9937  207.0351  251.7015 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0546  205.0152  250.6249 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8031  204.3238  250.6319 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1016  204.1314  249.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2167  203.1319  248.7345 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3365  205.2392  249.0578 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0653  206.2995  250.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8817  206.2681  250.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1131  205.3060  250.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6429  207.4592  251.7671 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.6634  207.3943  252.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5188  208.4753  254.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2539  208.3230  254.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7139  208.4657  255.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7386  208.7650  251.0986 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9844  209.8520  251.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1320  209.8508  252.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2730  210.9174  250.6822 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4952  212.0885  251.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9561  213.2319  250.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1501  213.0431  248.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5969  214.0937  247.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8465  215.3453  248.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6299  215.5523  249.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1846  214.5021  250.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2758  208.5861  249.4129 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1280  209.2892  249.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0171  208.7768  249.6594 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3858  210.6112  249.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2040  211.4129  249.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5047  212.8877  249.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8431  213.5739  248.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1844  214.9271  248.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1818  215.6102  249.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8252  214.9440  251.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4864  213.5895  251.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8753  204.4834  250.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6505  203.7361  251.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2335  205.4972  248.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6182  207.1468  249.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4741  208.9367  250.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1439  209.0976  249.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 48  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <CHROM.1>
64.34624569,63.41474132,123.63359665,154.32129829,-98.76011911,83.19172164
92.37574597,-14.78264708,-94.05656455,-68.09539928,-177.95831086,146.23607673
68.69290813,179.16377398,176.83287767,46.14130933,175.62413074,-178.60118932
76.18685800,203.73181567,209.22768383,250.27819943,-1.19602279,0.64091043
-0.17532832

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444926/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.52374

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.580952

>  <SCORE.INTRA>
-21.8763

>  <SCORE.INTRA.DIHEDRAL>
-17.4521

>  <SCORE.INTRA.DIHEDRAL.0>
26.1872

>  <SCORE.INTRA.POLAR>
-1.52254

>  <SCORE.INTRA.POLAR.0>
-0.477459

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.97356

>  <SCORE.INTRA.VDW.0>
-3.48477

>  <SCORE.INTRA.norm>
-0.520863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.0600891

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000633

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  214.6285  191.0838  247.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3357  191.9165  248.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1830  190.9769  248.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6724  190.0247  247.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1776  188.7586  247.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6745  187.9174  246.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6509  188.3461  245.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1282  189.6163  245.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6433  190.4620  246.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1876  191.7824  245.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0607  192.4748  244.8214 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7814  193.6298  244.9595 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3568  193.6235  246.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9740  192.5000  246.8301 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4562  194.8742  246.6722 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.9511  196.2412  245.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5218  196.7498  245.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2153  197.6180  246.5872 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5963  196.0938  244.9401 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2022  196.2555  245.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5600  195.5791  246.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1765  195.7132  246.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4471  196.5087  245.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0893  197.2191  244.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4764  197.1172  244.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2473  197.9500  243.6711 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7923  199.0808  243.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3719  194.9157  247.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9122  193.6490  247.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5332  192.9419  249.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8852  195.1709  244.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
21.85784779,65.04273150,86.78062428,168.94127609,-76.46138560,-140.13103166
154.91646600,211.37247358,193.84893110,246.19244298,-1.14444974,-0.32499550
-0.19707248

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444928/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95432

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-6.44568

>  <SCORE.INTRA.DIHEDRAL>
2.85356

>  <SCORE.INTRA.DIHEDRAL.0>
3.10408

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.47246

>  <SCORE.INTRA.VDW.0>
2.6355

>  <SCORE.INTRA.norm>
-0.214856

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.198477

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 51  0  0  0  0  0  0  0  0999 V2000
  191.0492  233.0237  258.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6109  231.9544  257.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5475  231.4383  256.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3409  230.9097  257.0856 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.6176  230.0897  257.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7892  231.9101  258.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8878  232.4447  259.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2309  230.4462  256.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5669  229.2465  255.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2817  228.0744  255.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2106  227.2314  254.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5714  227.8524  253.5240 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3291  229.1317  253.9067 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9031  230.1050  252.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6667  231.3600  253.3647 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3967  232.0244  252.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3942  231.1416  251.0875 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6960  229.9497  251.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7644  228.8094  250.8881 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0427  227.6972  256.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0246  228.4160  257.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7270  226.4693  256.6151 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4446  225.9835  257.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0100  224.8158  257.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6180  224.1817  258.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6758  224.7173  260.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2004  223.9480  261.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6802  222.6630  261.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6226  222.1307  259.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0946  222.8698  258.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1967  220.5295  259.5146 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.2425  225.9219  260.7073 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1779  226.9690  260.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5358  227.3429  259.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8732  228.4559  258.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1957  228.8982  257.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1701  228.2235  256.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8743  227.1333  257.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8760  226.4703  256.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6135  225.4285  257.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3736  225.0376  258.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3663  225.6640  259.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5873  226.6986  258.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8177  227.8858  251.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.5344  228.8046  249.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6227  225.9045  255.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 43  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
66.81481476,37.62920001,6.20118011,0.15487975,174.42145593,-0.08200052,-87.25602536
63.54259985,98.35688682,191.43284791,227.52345546,257.01533365,-2.67875830
0.91468283,-2.79379776

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444929/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.83378

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.342857

>  <SCORE.INTRA>
-11.5662

>  <SCORE.INTRA.DIHEDRAL>
-1.23362

>  <SCORE.INTRA.DIHEDRAL.0>
8.98685

>  <SCORE.INTRA.POLAR>
-0.997308

>  <SCORE.INTRA.POLAR.0>
-0.708637

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.55856

>  <SCORE.INTRA.VDW.0>
-1.20059

>  <SCORE.INTRA.norm>
-0.275386

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.067471

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000849

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  200.8894  190.5382  241.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4535  191.7786  241.7191 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9688  191.6459  242.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5507  192.7416  242.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3141  192.4807  244.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9155  192.6794  244.7232 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9871  191.6733  244.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1131  190.5047  244.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7464  192.2572  245.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5012  191.6897  245.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4948  192.5160  245.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7529  193.8692  246.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0231  194.4198  246.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9981  193.5861  245.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3992  193.8533  245.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9394  194.9327  245.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0983  193.0810  241.0829 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2610  193.9409  241.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7291  195.1641  242.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8082  195.9651  243.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4801  195.5463  243.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0455  194.3151  242.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9437  193.5068  242.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7311  194.0350  243.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2583  192.7560  242.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2451  197.1878  243.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5634  197.5859  243.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4019  196.7456  242.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0122  195.5630  242.2429 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7676  193.5307  239.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5869  192.8352  239.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3970  194.8586  239.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 29  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <CHROM.1>
-171.00644646,114.91389681,82.05656778,-71.79330247,93.36467962,112.55247810
-176.32020028,200.47141551,193.63874049,243.20357806,-0.18006551,-0.76224099
2.85939056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444930/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.63195

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-7.76805

>  <SCORE.INTRA.DIHEDRAL>
1.61813

>  <SCORE.INTRA.DIHEDRAL.0>
14.3538

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.57712

>  <SCORE.INTRA.VDW.0>
0.194105

>  <SCORE.INTRA.norm>
-0.242752

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.144748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000371

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  216.6499  176.6976  250.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6625  177.8602  250.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5752  178.6140  249.7014 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7165  177.9174  248.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9544  178.3167  247.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6576  178.0216  246.7957 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.0843  179.9921  249.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3395  180.9808  248.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2394  181.7088  248.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4022  182.6628  247.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6704  182.9138  246.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7890  182.2036  247.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0618  182.4825  246.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1888  181.7924  247.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0562  180.8031  248.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7973  180.5158  248.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6368  181.2083  248.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
80.38773799,-158.90225221,162.66997407,57.88158913,126.97929657,216.28094275
179.99305576,248.25951639,-1.80360797,0.32403511,-0.39253352

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444931/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.76156

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-2.63844

>  <SCORE.INTRA.DIHEDRAL>
1.63904

>  <SCORE.INTRA.DIHEDRAL.0>
0.783777

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.45796

>  <SCORE.INTRA.VDW.0>
0.774706

>  <SCORE.INTRA.norm>
-0.155202

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.456563

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018628

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  202.5506  204.9726  238.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4441  205.0526  239.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7307  203.7141  239.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5211  203.6177  240.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9499  204.5495  241.6156 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7064  202.1919  241.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4248  201.9168  242.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5697  200.6006  242.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0250  199.5291  242.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2985  199.8168  241.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1386  201.1348  240.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0896  198.2007  242.6763 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7489  197.7358  243.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9007  196.4614  244.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6063  196.1734  245.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0621  197.0661  246.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7663  194.7492  245.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2436  193.7046  245.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3871  192.3824  245.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0419  192.0994  246.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5508  193.1371  247.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4101  194.4603  247.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6462  197.5107  242.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-179.78078645,2.96532137,-175.83606316,-5.16230398,-0.72885525,-1.83715824
205.42376208,198.92478994,243.13167697,2.05288711,-1.00586544,-0.13122166

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444932/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94799

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-5.45201

>  <SCORE.INTRA.DIHEDRAL>
-11.6474

>  <SCORE.INTRA.DIHEDRAL.0>
11.783

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.371686

>  <SCORE.INTRA.VDW.0>
1.076

>  <SCORE.INTRA.norm>
-0.247819

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.270363

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000595

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  212.6962  183.3232  248.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5420  182.4164  247.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1525  182.6711  246.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1602  181.4315  245.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5198  180.3295  246.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9278  180.7671  247.6658 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.5579  179.0102  245.7242 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5139  178.5060  244.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8105  178.8050  243.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5031  180.1400  243.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8167  181.2590  243.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9699  181.9530  243.3213 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8392  184.0343  245.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3741  185.0453  246.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0870  186.3320  245.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2023  186.6180  244.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6347  185.6265  243.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9779  184.3585  244.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7507  178.3806  246.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
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-2.65497092

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444933/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.96795

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-0.43205

>  <SCORE.INTRA.DIHEDRAL>
-2.72144

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.928672

>  <SCORE.INTRA.VDW.0>
-0.789763

>  <SCORE.INTRA.norm>
-0.0240028

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.331553

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000699

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  215.4967  189.7583  238.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0662  189.5384  237.6580 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4575  188.2575  237.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1765  187.8080  236.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5573  186.5234  235.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2469  185.6655  236.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5272  186.1328  237.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1385  187.4165  238.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6692  184.3337  236.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5644  183.5795  234.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2007  182.3386  235.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6419  182.3458  236.5264 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3244  183.5824  237.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4168  181.1661  234.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0958  180.0366  234.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3554  178.9299  234.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9330  178.9462  232.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2403  180.0502  232.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9905  181.1525  233.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2353  177.8100  231.8526 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.8610  176.8560  232.3349 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8519  177.8765  230.6754 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.9465  183.9950  233.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4449  184.3291  232.7771 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  3  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
139.40650033,-0.89459235,179.19323324,217.77822193,183.23709970,235.03390088
-2.07713574,1.05906577,-2.20007075

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444934/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.54949

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-2.85051

>  <SCORE.INTRA.DIHEDRAL>
-5.07822

>  <SCORE.INTRA.DIHEDRAL.0>
7.21837

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.311401

>  <SCORE.INTRA.VDW.0>
0.442509

>  <SCORE.INTRA.norm>
-0.118771

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.231229

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000144

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 40  0  0  0  0  0  0  0  0999 V2000
  200.7001  222.6786  260.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1759  223.8339  261.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4479  223.7247  262.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3385  225.1104  260.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2155  225.1974  259.5143 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6403  226.1369  261.5592 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8364  227.3972  260.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5409  227.8815  260.2367 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5858  228.3696  261.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2704  227.3278  262.2496 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5983  226.2700  261.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0438  226.2715  260.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3607  225.1618  259.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2283  223.9988  260.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7792  224.0117  262.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4608  225.1351  262.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4354  222.7959  260.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8873  221.4767  260.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9270  222.9526  260.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6135  222.6129  258.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8941  222.7538  258.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1208  222.6302  256.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0742  222.3482  255.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7907  222.2007  256.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5618  222.3321  257.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2180  222.2044  254.4748 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3551  221.4183  254.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5798  221.4219  252.5771 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0824  222.7998  252.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1427  223.8414  252.4349 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4990  225.1089  252.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5464  225.4253  251.5543 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4567  226.1003  252.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3087  225.7359  253.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7414  227.5455  252.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5443  220.4335  252.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8483  228.9365  259.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6146  220.4372  251.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4276  228.5792  258.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 28 36  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
>  <CHROM.1>
-6.38978968,178.92816227,64.27356023,74.11883527,-59.83853306,62.58563824
-63.62061680,-11.19544438,156.95075684,42.79365040,43.81685861,-173.04056764
70.95092921,-59.67958522,176.71450568,178.64324802,-0.10324242,-1.12930644
198.62286311,224.39169712,257.82587133,1.21710313,1.02104425,1.62331127

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444935/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.3722

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.578378

>  <SCORE.INTRA>
-8.02779

>  <SCORE.INTRA.DIHEDRAL>
-6.096

>  <SCORE.INTRA.DIHEDRAL.0>
11.823

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.97979

>  <SCORE.INTRA.VDW.0>
10.2486

>  <SCORE.INTRA.norm>
-0.216967

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.361411

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002706

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  200.3140  209.5110  250.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3323  208.1834  251.0929 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.4686  207.6022  249.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8638  206.5442  249.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1420  206.1324  247.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3698  205.0715  247.4056 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0641  207.0315  247.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7046  208.0948  248.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3945  208.3554  249.3321 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7212  208.9282  247.7242 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9873  208.7390  246.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2458  209.6185  246.1499 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0586  207.3648  245.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4242  206.6880  246.1324 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3652  206.8598  244.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0702  208.0539  244.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9725  208.1306  243.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2245  207.0251  242.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5429  205.8440  243.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6120  205.7647  244.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7798  204.2482  244.1961 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.9465  209.5211  245.5336 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.2198  209.2154  249.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5891  209.8327  248.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
99.97163946,-53.98880447,197.58869280,207.42575879,246.69507170,-1.26409109
0.84498578,-2.14612953

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444936/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30328

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-1.09672

>  <SCORE.INTRA.DIHEDRAL>
-0.0290383

>  <SCORE.INTRA.DIHEDRAL.0>
2.71676

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.0822

>  <SCORE.INTRA.VDW.0>
-2.49077

>  <SCORE.INTRA.norm>
-0.0498507

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.286513

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000049

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 73 75  0  0  0  0  0  0  0  0999 V2000
  195.4598  211.4821  250.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2193  210.2951  249.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3673  209.4709  248.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4726  210.0294  247.4394 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7544  210.6492  247.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4048  210.3634  248.7288 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0661  211.8280  246.9645 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2287  211.9561  245.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7556  212.0155  246.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2917  211.1586  247.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6317  211.2751  247.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5047  212.2082  247.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0158  213.0733  246.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6543  213.0311  245.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0658  209.9521  245.9895 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7341  211.0817  245.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3889  211.4540  244.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4001  211.8219  245.6066 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.9718  212.9802  246.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7827  213.7066  247.0561 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.7828  212.5661  247.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2431  211.3871  246.4658 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3386  210.3184  246.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3765  210.4240  247.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3782  209.0468  245.5952 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2530  209.3089  244.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9638  208.1283  243.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1426  210.3564  243.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6709  208.3964  245.7501 N   0  0  0  0  0  0  0  0  0  0  0  0
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  195.4765  206.7936  244.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4210  206.0049  246.4476 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8274  204.5426  246.0847 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.3665  204.3377  246.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2688  203.4777  247.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2353  202.0650  246.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9735  206.3854  247.7449 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2472  206.9827  248.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4948  207.9299  248.5773 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4491  206.3017  250.1615 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.7171  204.9425  250.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6749  204.3916  251.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0684  204.2243  252.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4554  204.6730  253.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8846  203.5638  251.4316 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8646  206.2074  250.5123 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5333  207.2150  251.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0073  208.2737  251.5096 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0420  206.9324  251.3940 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2426  206.2627  252.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8338  207.2770  253.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7756  207.2480  254.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7415  208.2582  253.9364 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6918  206.1916  250.3671 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8709  206.7302  249.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9637  206.9324  248.3401 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2619  207.1503  248.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4138  214.6743  246.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4580  215.6080  246.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
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  192.1445  216.2824  244.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8598  217.2017  243.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.7396  217.8279  245.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7156  212.7231  247.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6569  209.2829  245.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4203  209.0543  245.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
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  196.3306  205.3184  250.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4765  208.9210  254.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6884  205.1851  250.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
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  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 67  1  0  0  0  0
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 18 16  1  1  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 58  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 23  1  1  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
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 32 30  1  6  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
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 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 37 69  1  0  0  0  0
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 38 40  1  0  0  0  0
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 45 70  1  0  0  0  0
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 51 52  2  0  0  0  0
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 53 72  1  0  0  0  0
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 63 64  1  0  0  0  0
 64 65  2  0  0  0  0
M  END
>  <CHROM.1>
-59.47066965,82.57868846,107.76365922,-116.00055905,-70.64455065,43.90197375
116.84611211,98.98585450,-168.67738256,-60.27306054,-166.37237275,160.62687888
101.60775412,-174.75016025,61.60766366,103.50482034,160.21117265,-46.81048576
-75.10841228,-169.16639419,88.43303520,-57.59418018,126.99775180,179.52319820
-91.72565818,-65.12173812,67.45428963,103.86269467,179.99330569,-70.28272741
-178.95176104,80.85185192,196.17459621,209.49013657,247.78881357,-1.71649864
0.32928560,2.65656275

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444937/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-13.7658

>  <SCORE.INTER>
35.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
30

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.544615

>  <SCORE.INTRA>
-49.1658

>  <SCORE.INTRA.DIHEDRAL>
-6.30715

>  <SCORE.INTRA.DIHEDRAL.0>
28.2373

>  <SCORE.INTRA.POLAR>
-0.320645

>  <SCORE.INTRA.POLAR.0>
-1.87277

>  <SCORE.INTRA.REPUL>
-1.78566

>  <SCORE.INTRA.REPUL.0>
1.79875

>  <SCORE.INTRA.VDW>
-35.9938

>  <SCORE.INTRA.VDW.0>
15.5164

>  <SCORE.INTRA.norm>
-0.756397

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
65

>  <SCORE.norm>
-0.211782

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006184

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  216.2406  178.5637  250.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9258  179.6591  251.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6165  179.0923  252.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2947  180.2042  253.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8573  181.1266  253.9109 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
M  END
>  <CHROM.1>
-179.99979063,217.54634573,179.69791581,252.21054923,2.86664931,0.99121031
2.88969520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444946/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-1.07385e-05

>  <SCORE.INTRA.DIHEDRAL>
-2.1562e-05

>  <SCORE.INTRA.DIHEDRAL.0>
2.15622e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
4.25416e-08

>  <SCORE.INTRA.VDW.0>
-0.124983

>  <SCORE.INTRA.norm>
-2.14769e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.28

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015591

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 45  0  0  0  0  0  0  0  0999 V2000
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  185.2191  236.0600  272.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1240  235.2248  271.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
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  186.5657  234.4501  269.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
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  189.5948  226.4818  262.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5613  225.0180  262.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4746  224.2054  261.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4789  222.7301  262.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
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  192.6783  221.7674  261.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.4609  218.9559  257.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1590  219.5349  259.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
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  202.9590  215.7131  258.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
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  207.5001  204.6417  254.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  CHG  1  19   1
M  END
>  <CHROM.1>
179.78794295,179.82956700,179.95249631,179.86698593,179.93254423,-179.66403295
119.95590903,122.03467849,-179.65663541,179.70540283,179.91118839,179.93131812
179.88830364,-179.84106401,-179.95871205,-88.66095882,-6.01420990,177.06163133
-179.77796096,-179.66707190,179.86919544,179.85562812,179.78146286,179.94092266
179.90184766,-176.19145376,-118.30232881,-119.41314958,-179.88717422,179.90711117
179.95002644,179.93773419,179.92748489,179.86960527,195.17991340,221.77346822
261.28817768,-2.29629367,0.40510804,-2.34761494

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444947/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
28.4582

>  <SCORE.INTER>
39.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
34

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.875556

>  <SCORE.INTRA>
-10.9418

>  <SCORE.INTRA.DIHEDRAL>
-22.424

>  <SCORE.INTRA.DIHEDRAL.0>
24.0071

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.27018

>  <SCORE.INTRA.VDW.0>
-3.83285

>  <SCORE.INTRA.norm>
-0.243152

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
0.632404

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011258

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  204.4613  203.4696  247.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6010  203.4838  248.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2634  202.0759  249.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4359  202.1364  250.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1798  202.7221  251.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4447  201.8548  252.2914 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.8067  202.3808  253.5975 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1391  200.4482  252.1227 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7771  202.2296  251.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2269  203.5483  251.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2425  203.8590  250.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8103  202.8595  249.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3413  201.5429  249.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3248  201.2253  250.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9062  203.1827  248.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
178.22330505,-64.13915462,-67.70590289,-162.43559064,61.28904616,205.18779023
202.40836432,250.61507018,0.69324465,-0.02456648,-1.25146359

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444948/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.74845

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-0.651553

>  <SCORE.INTRA.DIHEDRAL>
0.700769

>  <SCORE.INTRA.DIHEDRAL.0>
1.25577

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.00194

>  <SCORE.INTRA.VDW.0>
-1.16389

>  <SCORE.INTRA.norm>
-0.0434369

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.649896

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000482

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  204.8062  200.4513  241.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2739  201.4732  242.6865 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6671  201.0923  244.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9458  202.0663  245.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3716  203.4647  244.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7029  204.4609  246.1013 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.0963  203.9936  247.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2042  204.6373  246.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0958  205.8163  245.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8165  201.5943  242.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3766  202.2711  241.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9035  202.4271  241.4779 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.4254  203.2565  242.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5943  201.0604  241.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2541  203.1153  240.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  2   6   1  12   1
M  END
>  <CHROM.1>
-175.72627647,70.26641925,62.02343849,-177.57519394,-62.04917685,179.92911105
-60.39515725,206.32263344,202.76566928,243.60715115,0.80024009,-0.48803985
-2.40834757

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444949/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.1281

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.826667

>  <SCORE.INTRA>
-0.271926

>  <SCORE.INTRA.DIHEDRAL>
-0.128902

>  <SCORE.INTRA.DIHEDRAL.0>
0.806179

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.207475

>  <SCORE.INTRA.VDW.0>
3.45038

>  <SCORE.INTRA.norm>
-0.0181284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.808538

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.113459

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  199.7645  196.3984  240.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0624  197.1284  240.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2393  196.6027  241.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7033  197.5416  240.8733 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4395  198.9448  241.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8242  196.8823  241.5190 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8647  197.2902  239.1898 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2847  195.8702  238.8422 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5973  195.3708  237.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7971  195.8416  238.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3203  195.7690  237.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5271  195.8705  239.7703 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5758  197.9408  238.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.9638  195.9592  240.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.75700184,54.48729953,-70.43988739,142.46046470,-104.79073061,-3.39938940
203.80835411,196.72781046,239.90834619,2.57647728,0.06121723,0.97414808

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444950/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.22678

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-2.17322

>  <SCORE.INTRA.DIHEDRAL>
1.16421

>  <SCORE.INTRA.DIHEDRAL.0>
1.98164

>  <SCORE.INTRA.POLAR>
-0.801387

>  <SCORE.INTRA.POLAR.0>
-0.198133

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0306057

>  <SCORE.INTRA.VDW.0>
-0.37978

>  <SCORE.INTRA.norm>
-0.181101

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.685565

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019937

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  193.1468  217.6878  257.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0508  218.4326  256.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1539  218.2230  255.1270 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0402  219.0033  254.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7893  219.8333  254.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0712  218.8262  252.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9698  219.6071  252.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0210  219.4907  250.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1740  218.5953  250.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2729  217.8121  250.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2153  217.9212  252.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3289  217.1838  253.0833 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3151  217.3475  254.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4005  216.5733  255.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7886  215.8794  253.9941 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3446  216.2376  252.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8283  215.5794  251.3384 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.0327  214.2143  251.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4650  214.7339  251.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8984  215.1589  249.9677 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2578  214.7444  252.1915 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6827  215.0305  252.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1712  215.9965  253.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8731  215.4540  254.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3812  215.1283  254.6507 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.8659  214.2324  253.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1301  214.4840  256.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  1  0  0  0
M  END
>  <CHROM.1>
-82.82145760,86.52524224,-63.99196525,-80.26107296,192.46826275,216.70503682
253.14809320,1.01145175,1.12664919,1.55182087

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444951/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.12699

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-5.27301

>  <SCORE.INTRA.DIHEDRAL>
0.558571

>  <SCORE.INTRA.DIHEDRAL.0>
6.85662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.55229

>  <SCORE.INTRA.VDW.0>
-1.84541

>  <SCORE.INTRA.norm>
-0.195296

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.152852

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000260

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  187.1059  223.1759  258.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9091  222.1882  259.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2210  221.4891  259.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0289  220.4934  261.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3487  219.8068  261.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1536  218.8145  262.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4710  218.1325  262.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2773  217.1411  264.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5950  216.4637  264.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4036  215.4719  265.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7231  214.7949  265.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5295  213.7970  266.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8471  213.1086  267.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6475  212.1160  268.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
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179.96581528,-179.86723351,-179.66743977,179.97138749,-179.98723818,190.37582119
217.64242771,263.47562555,-2.03693006,-0.20586810,2.31692837

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.4006

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.17143

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
0.00122196

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71789e-06

>  <SCORE.INTRA.VDW.0>
-1.55856

>  <SCORE.INTRA.norm>
4.35186e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
1.17147

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013984

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  213.7630  189.8683  251.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7775  190.3661  253.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7519  191.5410  253.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4181  190.7676  253.4442 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1951  191.1355  254.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1920  190.2250  255.7226 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9694  190.6892  256.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7531  191.9591  257.2463 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8075  192.8042  256.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0140  192.4404  254.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6903  194.1640  256.5028 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9100  194.8349  256.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7659  196.3620  256.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5264  196.9387  255.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2704  196.4821  255.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9989  196.9927  253.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0270  189.5208  258.2813 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.8012  189.5797  258.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6936  190.0909  253.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1767  194.6061  255.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
174.23164430,-71.82765127,87.31130931,81.85443868,169.46172971,-63.70067265
65.09252168,-179.97876286,212.45177726,192.43821632,255.65648896,-0.94022314
1.32412956,-0.71458109

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444962/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27229

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.663754

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.459571

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 57 58  0  0  0  0  0  0  0  0999 V2000
  188.5461  202.1326  248.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0430  202.7160  250.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2558  204.2196  250.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7982  204.8498  251.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0466  206.3452  251.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6281  207.0030  252.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8429  208.4979  252.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4436  209.1155  253.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6096  210.6162  253.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2560  211.3567  255.0846 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.4599  212.8690  254.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2054  213.8051  256.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0134  215.2599  255.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6657  216.0861  256.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2315  217.4957  256.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8202  218.2339  257.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2989  219.6248  257.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7275  220.2690  258.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1259  221.6330  258.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5562  222.2657  259.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9696  223.6404  259.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7377  223.5388  258.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6660  223.8036  257.2529 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.6477  223.1125  259.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8864  211.0940  255.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5400  211.4295  256.8230 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.0165  211.6234  257.0373 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.3461  210.3462  256.4864 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.8138  209.1446  257.3366 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.3467  209.1092  257.5044 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.9069  210.4114  257.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7907  208.2181  258.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3714  206.8592  258.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1484  209.2335  258.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.9154  210.4425  256.5478 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4196  212.8080  256.5111 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9963  214.0360  256.9921 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.2221  215.1933  256.3304 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.8677  215.3894  257.0310 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.0876  215.5977  258.5355 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.8250  214.3781  259.1077 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.0782  214.1756  258.4173 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1196  214.5837  260.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9122  213.5093  261.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3316  212.2823  261.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2051  212.0454  260.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2582  211.2472  261.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8395  216.8116  258.7371 O   0  0  0  0  0  0  0  0  0  0  0  0
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  183.0564  214.9232  254.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.8473  223.0505  258.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.7862  206.4912  257.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
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  182.3285  217.5585  258.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.3089  216.5624  256.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.9635  214.8694  254.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <CHROM.1>
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-179.08770691,-179.22266376,-178.23052431,163.99426827,-162.54903086,175.86824082
-170.42756221,176.61148817,-176.66510246,172.62129256,-176.71497771,179.93076824
179.11869059,67.99255786,-104.83403188,179.61944342,159.13379231,-57.34530667
177.76797216,63.49164709,59.86083689,62.14610911,-179.51629120,-61.33025160
177.27375226,60.54728962,-175.02402252,-63.18205257,-1.57205147,184.72771453
213.20098359,256.71184946,-0.99478893,1.05368632,-0.13477582

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.205349

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
50

>  <SCORE.norm>
0.462651

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004995

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  204.8393  195.7997  244.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4592  194.8667  245.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0588  193.7193  245.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6726  192.7630  245.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6617  192.8677  246.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2814  191.5233  245.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6414  191.3344  243.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7382  192.2831  242.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8470  191.8584  241.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1476  192.7859  240.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3614  194.1322  240.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2669  194.5561  242.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9612  193.6362  243.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5240  190.5424  246.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2404  188.9934  245.9023 Si  0  0  0  0  0  0  0  0  0  0  0  0
  207.2923  187.9589  244.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0115  189.2513  245.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3074  188.0499  247.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9881  186.6854  247.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1066  188.8772  248.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8771  187.8351  248.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.66602205,3.14067286,19.13028907,-178.45609069,-165.78547247,-58.25493968
-178.16435622,207.59745282,191.28498974,244.96398088,1.90197327,1.01336521
-0.90645924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444965/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.60466

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.590476

>  <SCORE.INTRA>
-6.79534

>  <SCORE.INTRA.DIHEDRAL>
-13.4137

>  <SCORE.INTRA.DIHEDRAL.0>
15.8744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0885118

>  <SCORE.INTRA.VDW.0>
-1.04156

>  <SCORE.INTRA.norm>
-0.323588

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.266889

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.136813

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  207.0886  197.4850  246.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9193  197.4405  247.8541 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1069  196.9914  247.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9658  196.7720  245.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6864  197.0911  245.6526 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9675  196.9341  244.4067 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.1197  198.1291  243.9517 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.8913  197.7711  242.4880 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.2421  197.1524  242.0942 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8589  196.6388  243.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1684  196.0398  241.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4410  195.7689  240.4855 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5294  195.1486  241.6786 P   0  0  0  0  0  0  0  0  0  0  0  0
  209.0892  193.7110  241.4189 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7839  195.3563  240.6604 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6179  194.5283  242.8716 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7891  196.8703  242.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7980  199.3817  244.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9646  196.2828  245.2259 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1312  195.9842  245.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3777  196.1584  247.1462 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3860  196.6943  247.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5739  196.8908  249.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0825  195.4474  245.0762 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4542  195.2566  239.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9824  193.7252  242.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.9660  197.2638  242.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0465  199.5512  244.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.8193  195.9370  244.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8346  194.9746  245.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6500  194.8299  244.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  6  5  1  1  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  6  0  0  0
  8  9  1  0  0  0  0
  8 17  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 30  1  0  0  0  0
 24 31  1  0  0  0  0
M  END
>  <CHROM.1>
52.55452269,-60.30400495,60.81588045,164.19720666,64.97622530,88.55496957
-29.91346749,-39.10810040,-163.00420506,208.70567090,196.42001573,244.12444162
1.24977285,-0.47664933,1.26412238

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444966/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.41088

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-6.98912

>  <SCORE.INTRA.DIHEDRAL>
-0.784444

>  <SCORE.INTRA.DIHEDRAL.0>
6.95588

>  <SCORE.INTRA.POLAR>
-1.77911

>  <SCORE.INTRA.POLAR.0>
-0.212254

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.547907

>  <SCORE.INTRA.VDW.0>
-1.96257

>  <SCORE.INTRA.norm>
-0.291213

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.14212

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044624

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 18  0  0  0  0  0  0  0  0999 V2000
  217.2042  175.7436  250.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2670  175.5658  248.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3009  176.2119  247.9377 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3540  176.0410  246.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2539  175.3045  245.9958 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.3101  174.6003  246.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2745  174.7680  248.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0605  175.3192  244.6418 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0003  176.1242  244.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4908  176.6158  245.7152 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3609  176.5747  243.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2750  177.4608  243.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7345  177.9212  242.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2693  177.4963  240.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3325  176.6002  240.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8739  176.1408  242.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-177.79669178,216.15671885,176.15199231,245.14472234,1.08534868,-0.66673081
1.50387343

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444967/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34808

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.0519208

>  <SCORE.INTRA.DIHEDRAL>
-0.114866

>  <SCORE.INTRA.DIHEDRAL.0>
0.124531

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00551234

>  <SCORE.INTRA.VDW.0>
-0.315374

>  <SCORE.INTRA.norm>
-0.00324505

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.396755

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005151

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  181.9095  209.4485  259.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2122  208.5827  258.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9055  207.2240  258.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3078  206.7279  260.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0067  207.6012  261.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2853  208.9736  260.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9813  209.9122  262.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7945  209.5606  263.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1447  209.6527  263.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8981  208.7171  263.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2923  208.6967  263.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9675  209.6445  262.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1919  210.6253  262.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7929  210.6166  262.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4310  209.6367  262.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2215  209.0158  263.5789 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4549  209.1450  263.0987 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5382  209.9165  261.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2341  210.2709  261.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8522  211.0814  260.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7027  212.0897  260.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3924  212.8102  258.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1942  212.5680  258.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3171  211.5990  258.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6580  210.8456  259.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7600  213.5512  256.6492 Br  0  0  0  0  0  0  0  0  0  0  0  0
  190.8666  210.1616  261.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8482  210.0014  260.0481 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.3154  211.4159  261.6341 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.8012  209.2989  261.8708 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.9750  207.7038  264.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.2090  206.3147  257.7616 N   0  3  0  0  0  0  0  0  0  0  0  0
  182.7320  206.7964  256.7474 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.9309  205.1180  257.9097 O   0  5  0  0  0  0  0  0  0  0  0  0
  190.2135  208.6814  263.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.9324  207.8651  264.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  CHG  2  32   1  34  -1
M  END
>  <CHROM.1>
-112.77161661,61.73974600,-147.19256179,-173.80842211,-21.63883705,134.58793728
149.19075246,185.91850064,210.02180023,260.36795828,2.90151638,0.37874215
2.10485726

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444968/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.45951

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-5.94049

>  <SCORE.INTRA.DIHEDRAL>
-5.52508

>  <SCORE.INTRA.DIHEDRAL.0>
13.8897

>  <SCORE.INTRA.POLAR>
-0.899746

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.118813

>  <SCORE.INTRA.VDW.0>
-2.21355

>  <SCORE.INTRA.norm>
-0.17472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.160574

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000292

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  216.2529  181.6105  249.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2764  182.2891  250.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8129  183.7287  250.7315 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.4261  183.9605  249.3044 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8393  182.6810  248.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8878  184.7337  251.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8940  185.3857  252.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8506  184.8378  250.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2962  184.0630  248.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5119  185.5018  250.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-110.63513537,179.43882553,217.20889081,183.70349768,250.37261164,3.10785901
-1.02338819,-1.03104380

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444969/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.32755

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-1.07245

>  <SCORE.INTRA.DIHEDRAL>
-0.846274

>  <SCORE.INTRA.DIHEDRAL.0>
1.73755

>  <SCORE.INTRA.POLAR>
0.249015

>  <SCORE.INTRA.POLAR.0>
-0.350037

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.49596

>  <SCORE.INTRA.VDW.0>
1.02847

>  <SCORE.INTRA.norm>
-0.134056

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.665944

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025105

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  208.4139  195.5273  240.6925 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2052  196.3127  240.8802 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1380  194.6209  241.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0442  195.9422  241.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4687  197.1880  240.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <CHROM.1>
178.80219762,207.81040053,195.94342155,240.81135985,-0.63282188,0.10562704
-0.06308208

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444974/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.04893

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
2.7

>  <SCORE.INTRA>
-0.351066

>  <SCORE.INTRA.DIHEDRAL>
-0.757295

>  <SCORE.INTRA.DIHEDRAL.0>
0.78341

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0275813

>  <SCORE.INTRA.VDW.0>
-0.0756128

>  <SCORE.INTRA.norm>
-0.175533

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
2

>  <SCORE.norm>
2.52447

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.151394

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  194.5587  215.2701  259.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1300  215.8035  259.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0950  217.2193  259.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6205  215.8547  257.8759 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3094  214.6502  257.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3926  213.5850  257.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8768  214.7581  256.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5746  213.5490  255.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2223  213.6880  254.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2272  214.9151  253.7047 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4547  216.1336  254.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7992  216.0182  255.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6740  214.9527  252.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0083  214.4036  251.3266 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1566  213.7153  251.2247 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.0341  213.7909  252.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2537  212.9368  250.2668 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.5772  215.7670  252.4163 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8043  215.4253  252.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.2884  215.9646  251.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
>  <CHROM.1>
73.36673135,2.95602957,-65.98193874,-13.69332383,191.50885445,214.82428291
255.00652142,-1.07090933,0.73563525,-2.12506927

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444978/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.86638

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-1.53362

>  <SCORE.INTRA.DIHEDRAL>
-4.20062

>  <SCORE.INTRA.DIHEDRAL.0>
6.06694

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.566689

>  <SCORE.INTRA.VDW.0>
-0.200156

>  <SCORE.INTRA.norm>
-0.0852011

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.437021

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028725

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  196.5937  196.7739  237.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9147  197.6865  238.8014 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2732  197.6693  240.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2970  197.3775  241.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6428  197.4330  242.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9316  197.7908  242.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2398  197.9069  244.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6871  197.8916  244.6138 N   0  0  2  0  0  0  0  0  0  0  0  0
  198.9526  197.9829  246.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4349  197.7777  246.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0826  198.9977  245.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8238  199.7186  246.3274 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8313  199.2240  244.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3623  198.9391  243.8160 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2929  198.5016  242.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8971  198.1080  241.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5696  198.0194  240.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9855  197.0215  240.9068 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2080  197.7261  239.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 17  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  6 16  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-120.31547033,-44.06284278,197.71648859,198.02568985,242.61469202,-2.33262330
0.24321887,1.55975344

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444979/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.15408

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-1.24592

>  <SCORE.INTRA.DIHEDRAL>
4.70378

>  <SCORE.INTRA.DIHEDRAL.0>
1.32752

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.5978

>  <SCORE.INTRA.VDW.0>
4.34991

>  <SCORE.INTRA.norm>
-0.0655745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.323899

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000263

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 55 60  0  0  0  0  0  0  0  0999 V2000
  197.4265  207.3069  247.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7096  207.8649  248.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2606  206.9823  249.1261 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5226  205.6424  248.4116 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.4902  205.1603  247.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7215  206.2002  246.4893 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3849  206.6936  245.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8321  205.6320  244.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3060  205.2300  243.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8941  203.9722  242.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8647  203.7312  243.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8406  204.7646  244.5973 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6692  202.5794  243.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4084  201.6080  242.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4183  201.8034  241.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6716  202.9936  241.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9287  202.3098  244.7709 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.1062  204.5066  249.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6601  203.3641  249.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3254  204.8677  249.9301 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2217  204.0125  250.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5548  204.6095  251.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4579  205.7479  251.8866 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.2951  203.7241  251.9262 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.3295  204.8932  250.0829 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.3515  207.0405  250.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9578  206.2435  251.6386 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.4119  206.5861  252.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8826  208.1158  252.2988 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2567  208.4360  252.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4669  207.9722  254.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8509  208.6378  255.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9810  208.1209  256.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7200  207.0337  257.0413 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3732  206.4463  256.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2862  206.8758  254.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7809  208.9208  250.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0605  209.9021  250.7935 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5606  208.4251  249.9082 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8020  209.0494  248.5438 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1448  209.8269  248.5530 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.2151  209.0456  247.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1993  207.6185  248.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9339  207.0520  247.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7944  205.7445  247.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2975  205.5291  246.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9346  206.6455  245.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7044  207.8663  246.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9698  207.9426  247.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9629  211.1513  248.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0630  206.4470  252.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5471  205.8327  249.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2575  207.7465  250.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3333  211.5934  248.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2172  206.0256  252.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 27 26  1  6  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 29 28  1  6  0  0  0
 29 30  1  0  0  0  0
 29 37  1  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 53  1  0  0  0  0
 40 39  1  1  0  0  0
 40 49  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 50  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 49  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 50 54  1  0  0  0  0
 51 55  1  0  0  0  0
M  END
>  <CHROM.1>
-173.26333879,129.43611931,176.41070203,104.22959254,174.31528953,58.23941407
52.80765535,46.68903094,64.20361826,171.61788784,-60.15003308,118.54467924
-74.84068176,97.43462092,61.63096013,201.10442753,206.14620364,248.78797545
1.99151450,0.99387961,-2.27389411

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444980/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.28489

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.360784

>  <SCORE.INTRA>
-16.1151

>  <SCORE.INTRA.DIHEDRAL>
-11.4316

>  <SCORE.INTRA.DIHEDRAL.0>
18.4699

>  <SCORE.INTRA.POLAR>
0.163629

>  <SCORE.INTRA.POLAR.0>
-0.163629

>  <SCORE.INTRA.REPUL>
-0.0625163

>  <SCORE.INTRA.REPUL.0>
0.0625163

>  <SCORE.INTRA.VDW>
-10.6431

>  <SCORE.INTRA.VDW.0>
-4.31277

>  <SCORE.INTRA.norm>
-0.315983

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
51

>  <SCORE.norm>
0.0448018

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003124

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  185.5112  219.0408  255.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0107  219.5803  256.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8181  219.9617  258.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1600  220.3534  259.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7496  220.3883  259.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9751  220.0444  258.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6013  219.6481  257.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8405  220.8126  260.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2446  219.9228  258.0809 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1709  220.2291  257.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9364  220.6977  255.9831 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6205  219.9824  257.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2083  221.4054  258.4706 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.5687  221.0821  260.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0791  219.9479  260.4834 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6771  220.1429  261.7866 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9008  221.4039  262.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5204  222.0200  261.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0583  223.3573  260.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5509  222.0072  263.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7947  223.3545  263.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5115  223.9255  264.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9360  223.1365  265.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6376  221.7830  265.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9403  221.2377  264.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0985  221.0490  266.7181 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0745  220.1132  266.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7721  223.7672  267.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5633  223.2882  268.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7834  225.2409  265.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1076  225.6960  264.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6550  219.7512  258.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
38.61090595,-82.30281909,81.44682477,14.61328876,-178.56313833,-51.82168740
-113.11288623,140.89576019,187.70372443,221.47492071,261.41795992,1.78673245
-0.40006862,-1.83361603

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444981/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.91275

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-7.48725

>  <SCORE.INTRA.DIHEDRAL>
5.6464

>  <SCORE.INTRA.DIHEDRAL.0>
9.33147

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.91045

>  <SCORE.INTRA.VDW.0>
6.33111

>  <SCORE.INTRA.norm>
-0.241524

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.190734

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  209.3477  220.6412  251.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4195  219.4587  252.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4437  218.4705  252.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2471  218.6658  251.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1922  219.8525  251.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2142  220.7904  251.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9743  220.0908  250.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1955  221.6716  249.2869 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4735  221.4180  248.1171 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7182  222.7069  248.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8850  222.0896  249.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1521  222.7443  250.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3715  224.0998  250.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3409  224.7385  249.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1221  223.9419  248.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0470  224.5225  248.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2576  221.7635  247.2917 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0974  221.0146  246.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6170  221.6553  245.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3790  220.9304  244.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0310  221.4554  243.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8412  222.8122  242.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1037  223.6031  243.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4812  223.0692  244.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8456  223.8694  245.7389 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.2376  217.8454  251.8575 O   0  5  0  0  0  0  0  0  0  0  0  0
  205.4785  224.0789  247.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  2  25  -1  26  -1
M  END
>  <CHROM.1>
179.87977295,116.79463482,-100.39077625,97.39224717,5.92224966,-178.92278507
206.03036260,221.70728282,248.45306436,-1.44628661,0.61651501,-1.21764921

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444982/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-56.2893

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-66.6893

>  <SCORE.INTRA.DIHEDRAL>
-3.90459

>  <SCORE.INTRA.DIHEDRAL.0>
5.96998

>  <SCORE.INTRA.POLAR>
-1.74501

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-58.804

>  <SCORE.INTRA.VDW.0>
56.3484

>  <SCORE.INTRA.norm>
-2.56497

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
-2.16497

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000085

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  185.0699  214.0291  260.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1299  214.4823  261.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0162  215.4528  261.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2447  213.7082  261.1398 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3970  214.0017  261.9789 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.0999  213.7407  263.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2583  213.8662  264.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2957  212.9751  263.8808 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8408  213.4082  262.5125 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.6781  213.2747  261.5131 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.0807  213.5453  260.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3628  213.0828  259.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3669  212.3781  259.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9890  213.5452  257.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2786  214.7821  262.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0173  215.2705  261.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4307  214.6196  260.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2115  216.7490  261.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2662  213.0141  264.9409 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4592  212.3373  264.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6976  210.6922  264.8393 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.6065  213.1202  264.8846 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5308  214.5327  264.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6255  215.1935  265.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6005  216.5857  265.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5060  217.3045  265.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4440  216.6363  264.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4574  215.2422  264.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8651  213.1858  265.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  1  0  0  0
  9 10  1  0  0  0  0
  9 15  1  1  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
179.31620662,66.69294983,-176.63070224,168.00850644,-69.76599350,-2.66598811
-5.92043233,-64.09656705,1.44624089,40.39229713,190.65931929,214.02646641
262.69994391,2.83004919,-0.59018136,-0.66498654

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444983/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24985

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-8.15015

>  <SCORE.INTRA.DIHEDRAL>
-15.5143

>  <SCORE.INTRA.DIHEDRAL.0>
20.8727

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.393005

>  <SCORE.INTRA.VDW.0>
-4.57534

>  <SCORE.INTRA.norm>
-0.291077

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.258923

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001226

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  187.9479  217.0299  260.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2381  216.5058  260.4681 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5357  215.1511  260.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7223  214.6636  260.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6935  215.6174  259.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7941  215.2279  259.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3294  216.9334  259.4873 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1064  217.4242  259.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8161  218.6116  259.7364 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2680  217.8808  258.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0632  213.1821  260.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4762  212.5453  259.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9066  212.5070  261.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5498  213.3507  262.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4616  214.3073  263.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5492  214.4753  262.5301 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8857  215.3152  263.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3510  216.6351  263.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8455  217.5633  264.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2986  218.8901  264.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7927  219.8048  265.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8311  219.4026  266.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3707  218.0853  266.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8635  217.1551  265.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4029  215.8304  265.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8994  214.9242  264.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3800  213.6569  264.9524 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6029  214.3455  261.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6746  213.1605  264.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.1466  213.6577  260.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.9433  213.9401  262.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
111.16127126,129.73049519,-4.79396714,-62.64371857,-2.97282812,-152.23011070
-11.12858409,190.53672313,215.90241535,262.36559494,-0.26431019,1.41743217
-0.18452340

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444984/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.297569

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-11.6976

>  <SCORE.INTRA.DIHEDRAL>
-3.03774

>  <SCORE.INTRA.DIHEDRAL.0>
15.656

>  <SCORE.INTRA.POLAR>
-1.50322

>  <SCORE.INTRA.POLAR.0>
-0.0249595

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.06773

>  <SCORE.INTRA.VDW.0>
2.88263

>  <SCORE.INTRA.norm>
-0.41777

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
-0.0106275

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000416

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 11  0  0  0  0  0  0  0  0999 V2000
  190.5399  211.5718  262.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4165  211.9787  261.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3855  210.7208  260.8709 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.9734  210.6339  260.2630 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.1043  210.1867  261.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1238  210.1294  262.6105 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3601  209.5774  261.8957 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5167  209.4737  262.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9146  209.3383  258.8125 Br  0  0  0  0  0  0  0  0  0  0  0  0
  192.4395  208.7343  263.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  6  5  1  6  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.81667430,190.45946374,210.01922200,260.58513242,1.14688103,-0.62217830
0.98152870

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444985/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.39576

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.00424

>  <SCORE.INTRA.DIHEDRAL>
-0.153264

>  <SCORE.INTRA.DIHEDRAL.0>
0.725923

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.927606

>  <SCORE.INTRA.VDW.0>
0.700739

>  <SCORE.INTRA.norm>
-0.111582

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.488418

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000187

$$$$
rDock on collection 9274/Array of sdfs_002736.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  214.5316  185.2018  244.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7167  185.3316  245.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9435  185.0785  244.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9954  184.6895  243.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7945  184.5648  242.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5723  184.8213  243.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3136  184.4914  242.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9890  183.1641  242.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9780  182.2203  241.9103 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4865  183.1050  243.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0744  181.8403  244.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5932  181.7861  245.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2492  182.0606  246.8619 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
81.67491608,100.72705175,176.31874907,-178.72368373,60.46911976,217.95684529
183.48303128,244.21031704,2.70073106,0.56465721,-1.45586639

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444986/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.95867

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-8.44133

>  <SCORE.INTRA.DIHEDRAL>
-17.4041

>  <SCORE.INTRA.DIHEDRAL.0>
19.3762

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.260721

>  <SCORE.INTRA.VDW.0>
-0.662743

>  <SCORE.INTRA.norm>
-0.649333

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.150667

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.172862

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  188.3675  217.2046  265.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8724  216.5270  264.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9446  215.0221  264.2997 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.0861  214.6760  264.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1190  214.2788  262.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8626  214.3016  262.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1395  214.6170  265.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2622  213.1117  265.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1621  212.4500  264.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2654  212.6033  266.3247 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8925  212.5967  265.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0083  213.4305  266.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6580  213.5063  266.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1653  212.7562  265.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0260  211.8792  264.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3796  211.7659  264.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1568  210.7221  264.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7448  212.8863  264.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4132  214.3678  267.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4671  212.6825  267.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
45.18765802,-71.86232961,176.12090202,108.20377916,63.51941668,-112.10442669
187.96133396,213.59643749,265.06056844,0.47810795,0.12800586,-0.05926390

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444987/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.82939

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-4.57061

>  <SCORE.INTRA.DIHEDRAL>
0.101464

>  <SCORE.INTRA.DIHEDRAL.0>
3.00111

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.62134

>  <SCORE.INTRA.VDW.0>
1.80126

>  <SCORE.INTRA.norm>
-0.253923

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.37941

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000278

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  225.9911  176.2964  252.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6524  176.1624  251.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3307  177.4530  250.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1586  177.5431  250.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3568  176.6301  250.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9591  178.9526  249.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8212  179.3506  249.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6264  178.5082  248.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6205  180.7750  248.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4047  181.4072  249.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2114  182.7502  248.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2320  183.4618  248.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4446  182.8423  247.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6402  181.4989  248.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9917  185.1145  247.6958 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.9884  179.8810  250.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8196  180.6409  250.3735 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <CHROM.1>
179.62382730,3.05285859,-175.39188499,-132.87073661,222.50765905,180.29596595
249.36398396,-1.14123317,-0.37225744,-0.24056035

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444988/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.19296

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-5.20704

>  <SCORE.INTRA.DIHEDRAL>
-15.5957

>  <SCORE.INTRA.DIHEDRAL.0>
22.3313

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.59082

>  <SCORE.INTRA.VDW.0>
-0.178536

>  <SCORE.INTRA.norm>
-0.306296

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.246645

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001721

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  187.8836  214.3085  261.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1446  213.4880  261.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1598  212.8554  260.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4036  212.0011  260.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3841  211.3351  258.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6815  210.5817  258.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6588  209.9135  257.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0050  209.2738  256.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9873  208.6103  255.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4641  207.1956  255.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9620  207.2294  255.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6736  207.2585  256.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1971  207.3066  256.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8425  208.3866  257.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3642  208.3077  258.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2195  207.4957  258.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8407  209.3594  259.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2351  209.3981  260.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5267  210.1805  261.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5360  211.0641  261.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1798  211.0837  259.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8205  210.2313  259.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7189  209.9722  263.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2624  211.0593  263.8740 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.5668  209.6925  263.9195 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.5675  208.9387  263.5322 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-178.47737639,177.99753838,175.05874420,179.82163238,174.56844190,-179.74361283
-87.17724894,73.82690495,60.48057861,-75.15713381,-61.26038367,8.94805041
177.72974241,115.82008002,189.10139155,209.89057219,259.70460371,-2.18981211
-0.66865711,-2.44051743

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444989/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.2018

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.746154

>  <SCORE.INTRA>
-5.19817

>  <SCORE.INTRA.DIHEDRAL>
-3.34585

>  <SCORE.INTRA.DIHEDRAL.0>
8.0764

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.52524

>  <SCORE.INTRA.VDW.0>
-1.23422

>  <SCORE.INTRA.norm>
-0.19993

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.546224

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.102408

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  187.0883  221.1417  259.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5770  221.7208  257.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6777  221.7665  256.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3689  222.2606  255.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2883  222.7151  255.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5798  222.3238  254.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4589  222.9148  253.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5894  223.0939  252.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8656  222.6988  253.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9630  222.0791  254.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8350  221.8961  255.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9643  222.9684  252.4532 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4558  222.1772  251.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5493  222.4431  250.1977 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0190  221.3446  249.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3033  220.2440  250.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0101  220.5951  251.9066 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.1846  221.3943  248.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8389  222.5599  247.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9295  222.6181  245.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3705  223.6809  245.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4103  223.6843  243.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1640  222.7300  243.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7263  221.6662  243.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5264  221.5505  245.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8472  220.3765  245.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6345  220.2848  247.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6227  223.6122  252.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
179.71812409,4.05595587,-174.76659420,-88.65534938,119.01944753,-1.33827587
191.15263195,221.96639831,251.01912740,-2.10001450,0.50814156,-1.29013053

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444990/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.68962

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-4.71038

>  <SCORE.INTRA.DIHEDRAL>
-7.83957

>  <SCORE.INTRA.DIHEDRAL.0>
8.92818

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.790596

>  <SCORE.INTRA.VDW.0>
0.36364

>  <SCORE.INTRA.norm>
-0.174458

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.247764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  222.9180  180.4296  238.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2098  179.1164  238.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5074  178.8987  239.4967 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7649  177.7748  239.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6936  176.8628  238.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4564  177.0703  237.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2458  178.2058  237.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0316  177.4490  240.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6929  178.1297  241.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9819  179.5812  242.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1566  180.1098  243.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3555  181.4838  243.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3783  182.3563  242.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2168  181.8479  241.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0232  180.4796  241.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0341  177.5159  243.0603 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9157  177.9076  243.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8289  178.0542  245.1023 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8890  177.9624  245.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0401  177.7488  245.5672 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5693  178.1881  247.2852 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.6722  178.3588  248.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2451  177.9490  247.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5664  178.1130  243.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5022  177.9609  241.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3036  178.1071  241.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1390  178.4208  241.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1923  178.5891  243.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3955  178.4380  243.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7187  177.0097  243.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
13.97139582,-152.54494456,-132.37288154,-125.12222119,-3.04610178,0.93898679
219.11838857,178.71951034,242.40729656,-1.02014512,0.28940109,1.48037916

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444991/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.80301

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-7.59699

>  <SCORE.INTRA.DIHEDRAL>
-15.9724

>  <SCORE.INTRA.DIHEDRAL.0>
20.6219

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.389211

>  <SCORE.INTRA.VDW.0>
-3.84119

>  <SCORE.INTRA.norm>
-0.261965

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.131138

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000501

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  214.9320  200.7498  240.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5198  200.2225  240.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6031  200.7966  239.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1811  200.2875  239.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2596  200.9098  238.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8276  200.4731  238.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8550  201.2152  237.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9249  202.7060  238.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5533  203.4749  237.2862 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1959  203.2052  239.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9974  202.8903  240.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3549  203.5709  240.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2002  203.0919  241.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6045  203.6701  241.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4743  203.1502  242.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8787  203.7142  242.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.20509778,177.68287306,-175.70516432,172.40233814,-61.27255050,100.25499030
77.26614563,60.98146563,-172.61479014,175.00888598,-177.65023764,179.12037803
210.56318682,202.14046939,239.86012526,-0.27721989,0.39192509,-2.35365571

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444992/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.7054

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.0875

>  <SCORE.INTRA>
-1.69458

>  <SCORE.INTRA.DIHEDRAL>
0.582822

>  <SCORE.INTRA.DIHEDRAL.0>
3.01491

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.98599

>  <SCORE.INTRA.VDW.0>
-0.630391

>  <SCORE.INTRA.norm>
-0.105911

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.981589

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026217

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  218.5816  190.2441  252.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0228  189.3397  251.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0380  188.3144  252.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5065  187.4248  251.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5198  186.3761  251.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9865  185.4649  250.6996 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.0442  184.5995  250.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3913  184.6391  248.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4234  183.7921  248.0920 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.8862  182.9881  246.9840 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0981  182.5194  246.2557 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1402  183.6601  246.4812 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.6303  184.4758  247.6173 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.5709  184.7285  248.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6361  183.3687  246.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2456  182.2958  247.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6223  182.0667  246.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4268  182.9241  246.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8524  184.0037  245.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4718  184.2236  245.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4040  181.0705  246.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4595  180.6155  247.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6787  179.2732  248.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8312  178.3466  247.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7805  178.7681  245.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5719  180.1169  245.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9922  183.7363  246.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9963  184.6992  251.2482 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  1  0  0  0
  7  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  1  0  0  0
 12 13  1  0  0  0  0
 12 15  1  1  0  0  0
 13 14  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-179.78522810,179.75944060,-179.41240419,65.30406741,-118.99764867,120.77389511
-49.11249446,-49.18225311,218.35374597,183.82438867,248.34970052,-2.01043502
-0.38457704,-2.62236834

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/444/14444993/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.4269

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-0.973092

>  <SCORE.INTRA.DIHEDRAL>
-0.208364

>  <SCORE.INTRA.DIHEDRAL.0>
1.81856

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.86891

>  <SCORE.INTRA.VDW.0>
-3.42683

>  <SCORE.INTRA.norm>
-0.0347533

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.443818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002219

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  183.6987  216.1237  261.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8618  217.0098  261.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0013  216.2011  261.7931 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3841  217.1284  262.2634 P   0  0  0  0  0  0  0  0  0  0  0  0
  188.0758  215.3818  263.0580 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.7984  217.1816  260.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4634  218.3521  259.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9291  218.1827  258.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0785  218.2647  262.8397 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.7876  219.3419  264.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1015  218.4003  265.6581 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.4528  218.1180  265.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6834  219.3376  264.1823 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.8579  216.8973  265.4253 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4956  215.8727  266.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4912  216.5375  265.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.08567066,161.37935547,98.75187510,157.25912100,-179.90460468,52.98367935
-72.83608788,-37.21087713,187.00301072,217.46094365,263.11252870,1.49655377
-0.45817928,-1.67791422

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445002/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8375

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.84769

>  <SCORE.INTRA.VDW.0>
-1.38639

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002362

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  201.5184  227.6108  266.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7791  226.4392  266.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7832  225.4377  265.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5263  225.6118  264.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2999  226.7783  264.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2838  227.7781  265.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4488  224.6124  263.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5454  224.9430  262.4194 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4080  223.8894  261.5019 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4544  224.0873  260.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6368  225.1356  259.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2141  222.7627  259.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2033  222.5786  258.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9634  221.2804  257.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9592  220.8871  256.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5789  219.5230  256.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3612  219.1216  257.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6121  220.1767  258.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9059  217.8697  258.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5966  216.7514  257.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1161  215.5727  257.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9438  215.4778  259.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2611  216.5705  260.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7369  217.7545  259.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6791  214.0942  256.7439 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.9396  221.5238  260.5865 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.1418  222.6101  261.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0371  222.1792  263.1124 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2754  223.1252  264.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3905  222.8063  265.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 29  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
146.38970035,-177.55142592,0.45909823,200.50824994,220.76977495,260.37151208
0.91042377,1.25772843,1.26218625

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445003/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.74753

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.28

>  <SCORE.INTRA>
-4.65247

>  <SCORE.INTRA.DIHEDRAL>
-11.5544

>  <SCORE.INTRA.DIHEDRAL.0>
13.0357

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.12473

>  <SCORE.INTRA.VDW.0>
-1.44385

>  <SCORE.INTRA.norm>
-0.155082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.124918

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000097

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  220.3236  185.6929  245.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4327  186.6696  244.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4857  187.1801  245.8556 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5458  188.1358  245.3414 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4360  188.4761  246.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2060  189.8365  245.6737 Br  0  0  0  0  0  0  0  0  0  0  0  0
  218.3226  189.3675  244.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1265  190.0920  245.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8253  191.3562  245.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2803  191.9641  243.9607 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.0852  190.8572  242.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1340  189.7544  243.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9993  192.7551  244.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3434  192.7369  245.2345 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6348  193.4233  243.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4215  194.1641  243.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  1  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
179.71541247,171.51571984,177.45208866,-58.34201578,-11.73825865,178.49053856
217.48323780,190.08839155,244.93650627,-1.33470287,0.28574516,-0.35102225

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445004/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.6789

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-0.721072

>  <SCORE.INTRA.DIHEDRAL>
1.89386

>  <SCORE.INTRA.DIHEDRAL.0>
1.1875

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.668

>  <SCORE.INTRA.VDW.0>
1.32063

>  <SCORE.INTRA.norm>
-0.045067

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.667433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001752

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  192.0488  220.6385  254.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5037  219.5833  253.8594 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4718  220.1798  252.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1210  219.3015  251.3671 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.0607  219.0643  251.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3969  217.9976  251.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1466  217.1843  250.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3335  217.9608  248.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0243  219.2903  249.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2906  220.1046  250.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8326  219.1740  254.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1548  217.9054  253.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3141  217.0198  253.7359 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6564  217.6389  253.7066 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.2518  218.8065  252.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1407  218.5686  251.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8262  217.4135  251.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5522  217.3455  250.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3624  216.2367  249.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4288  215.2007  250.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6487  215.2477  251.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8340  216.3516  252.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0592  216.3452  253.2653 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  6  0  0  0
 14 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
170.43351652,153.87111640,-51.81932371,-31.00730388,-47.54873735,194.81211986
218.02073885,251.88292575,-2.81929094,0.59018373,-1.56978718

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445005/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.52593

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-7.87407

>  <SCORE.INTRA.DIHEDRAL>
-2.50624

>  <SCORE.INTRA.DIHEDRAL.0>
12.0318

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.52095

>  <SCORE.INTRA.VDW.0>
-1.58164

>  <SCORE.INTRA.norm>
-0.357912

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.114815

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000070

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  204.5199  202.6437  249.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7572  203.4351  249.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7423  203.8363  247.9627 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4044  203.1130  247.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0337  202.0914  247.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3233  203.6810  245.7657 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0099  203.1033  244.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0943  202.2361  243.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1839  204.6283  247.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7367  204.4876  245.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-97.14599127,97.76930482,206.09600478,203.01656137,246.93189005,-2.35784681
1.20247784,-0.88753578

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445006/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34872

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-0.0512774

>  <SCORE.INTRA.DIHEDRAL>
0.0266649

>  <SCORE.INTRA.DIHEDRAL.0>
2.16901

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0646098

>  <SCORE.INTRA.VDW.0>
-0.455062

>  <SCORE.INTRA.norm>
-0.00640967

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.91859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004860

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  190.2681  216.4563  265.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6943  217.8191  265.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4173  218.8947  266.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9114  218.9428  266.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5976  219.9111  265.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1884  221.1270  265.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8263  221.9316  264.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8867  221.5616  263.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3317  220.3523  262.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7088  219.5494  263.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1844  218.2899  263.5106 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2558  217.8228  262.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8139  216.7315  261.8724 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8892  218.7158  261.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3969  219.9046  261.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3499  221.6117  266.9277 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1857  221.8518  267.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2004  217.9289  265.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
117.76169537,108.86522513,-61.33840920,192.07691408,219.37286224,264.47199029
2.18141024,-0.77224729,-2.13307406

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445007/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74161

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-1.65839

>  <SCORE.INTRA.DIHEDRAL>
-1.07571

>  <SCORE.INTRA.DIHEDRAL.0>
5.22447

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12054

>  <SCORE.INTRA.VDW.0>
-0.241744

>  <SCORE.INTRA.norm>
-0.092133

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.374534

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001573

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  210.5738  207.0797  243.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5772  207.7469  244.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4189  206.8074  244.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4119  207.4640  245.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2672  206.5023  245.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2471  207.1410  246.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1064  206.1710  246.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0895  206.8199  247.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9355  205.8749  248.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9482  206.5764  249.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7694  205.6799  249.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7685  206.3779  250.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5222  205.4939  250.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5175  206.1007  251.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1614  206.4087  252.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3720  207.3169  252.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3916  206.7182  251.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.76575262,-179.83754926,-179.81645969,179.94677160,-179.73467271,-179.79544412
-179.80727528,-179.63253078,179.77261799,172.18884187,202.70155664,206.60766322
248.19848395,-0.44751804,0.40109718,1.00232658

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445008/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.3657

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.905882

>  <SCORE.INTRA>
-0.0343191

>  <SCORE.INTRA.DIHEDRAL>
0.138431

>  <SCORE.INTRA.DIHEDRAL.0>
0.150724

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.103534

>  <SCORE.INTRA.VDW.0>
-0.988524

>  <SCORE.INTRA.norm>
-0.00201877

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.903864

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011690

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  205.5016  190.4573  246.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8219  191.5592  247.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3988  192.5960  246.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6503  192.5320  244.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3407  191.4192  244.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7629  190.3884  245.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2064  193.6050  243.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3839  193.1062  242.6893 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2727  192.2331  242.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8465  191.2443  242.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8010  190.3739  242.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1520  190.4712  243.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5558  191.4329  244.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6124  192.2999  244.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7767  193.3258  241.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8883  193.3497  240.3753 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1288  193.5571  240.9316 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8808  193.2317  240.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.9191  193.4754  241.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3550  193.7154  239.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
-124.67550498,48.39836289,-149.84118104,203.37944062,192.03240894,243.63024377
0.94026981,0.32204907,2.01434769

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445009/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.02383

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-0.376168

>  <SCORE.INTRA.DIHEDRAL>
-0.678526

>  <SCORE.INTRA.DIHEDRAL.0>
5.88175

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0369049

>  <SCORE.INTRA.VDW.0>
-0.931455

>  <SCORE.INTRA.norm>
-0.0221275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.47199

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.082929

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  205.3514  211.9699  250.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4572  212.0029  249.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3770  210.9268  249.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4520  210.9291  247.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3616  209.8395  248.0597 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3445  209.9584  246.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9958  208.4645  248.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8755  207.5663  249.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
179.89904604,179.68937185,173.11042449,119.26605975,202.67288754,210.23972971
248.59713514,-0.44567209,0.65309523,2.81718025

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445018/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.77968

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-0.620321

>  <SCORE.INTRA.DIHEDRAL>
0.191831

>  <SCORE.INTRA.DIHEDRAL.0>
0.0373493

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.716237

>  <SCORE.INTRA.VDW.0>
0.358602

>  <SCORE.INTRA.norm>
-0.0775402

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.09746

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009373

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  195.5949  206.4795  243.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2101  207.1214  243.8346 S   0  0  1  0  0  0  0  0  0  0  0  0
  198.1186  207.1194  242.5318 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0552  208.6456  243.9483 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3430  206.6489  245.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9213  205.7609  246.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7785  205.4342  247.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0580  205.9943  247.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4848  206.8728  246.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6326  207.2006  245.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9722  207.8116  241.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-12.33409804,198.12021249,206.81968728,244.85252980,2.29174686,-0.37202610
-0.93851486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445019/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.28243

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.117573

>  <SCORE.INTRA.DIHEDRAL>
-0.100021

>  <SCORE.INTRA.DIHEDRAL.0>
1.26747

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0675625

>  <SCORE.INTRA.VDW.0>
-0.577705

>  <SCORE.INTRA.norm>
-0.0117573

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.628243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025827

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  206.3659  201.7504  252.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6058  203.0419  251.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0082  203.6019  252.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2842  204.8828  251.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8428  204.8583  250.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1139  206.0506  249.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8149  207.2812  249.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2931  207.3161  251.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0327  206.1258  251.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1190  208.3861  249.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0342  209.2910  249.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8940  208.5638  248.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8758  207.9981  249.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8283  207.3049  248.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7652  207.1760  247.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7716  207.7558  246.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8276  208.4471  246.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5779  206.4697  246.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4267  206.4671  245.3428 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6734  205.9266  247.4594 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9968  204.8041  248.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9348  204.8339  249.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3163  203.7087  250.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7695  202.5586  249.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8134  202.5182  248.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3978  203.6258  247.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4624  203.5872  246.2804 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.6876  206.0588  247.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
179.75786574,-90.00198451,125.83635217,-58.20143539,93.47685909,172.40420568
-69.57293400,122.40955933,205.81690967,205.67743781,249.04330226,0.12963805
0.60549404,2.47561885

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445020/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3473

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-3.05272

>  <SCORE.INTRA.DIHEDRAL>
1.29566

>  <SCORE.INTRA.DIHEDRAL.0>
4.38756

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.70055

>  <SCORE.INTRA.VDW.0>
0.099943

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.383233

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001397

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  202.2202  204.3152  245.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4644  203.1958  246.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9959  201.9436  245.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3937  200.8359  246.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4336  200.8223  247.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9516  199.6266  245.6821 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1365  199.5125  244.1845 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2451  199.7581  245.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1399  198.1244  243.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7276  200.6358  243.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6777  201.3588  242.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3031  202.4103  241.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9613  202.7582  241.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9957  202.0548  242.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3775  201.0101  243.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
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244.34547528,1.24174968,-1.41184402,1.43129035

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.97748

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-4.8757

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.228168

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.398499

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057347

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 41  0  0  0  0  0  0  0  0999 V2000
  218.1425  195.2694  247.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9477  194.5051  247.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7464  193.3487  246.8596 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.0651  194.0613  245.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4599  194.4594  246.0178 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.0621  193.0888  246.4326 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.8842  192.4186  247.0481 N   0  0  2  0  0  0  0  0  0  0  0  0
  217.6084  191.0256  246.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3278  190.8358  245.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3912  190.9231  244.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1283  191.0559  242.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8040  191.0929  242.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7456  190.9067  243.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0071  190.7581  244.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4597  191.4902  240.8576 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.6977  191.1382  244.8412 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8928  192.5390  245.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7810  190.3621  244.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3319  190.5117  243.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2495  189.2251  245.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6394  189.0126  246.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0716  187.9752  247.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1245  187.1399  246.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7422  187.3603  245.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3250  188.4062  244.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6571  186.1180  247.7680 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2540  185.7645  249.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2367  186.1434  249.6144 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1177  184.7671  249.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4563  183.8187  250.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1808  182.8611  251.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5704  182.8516  251.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2409  183.7958  250.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5179  184.7590  249.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4548  185.9196  248.8339 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.4624  185.6314  247.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 17  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  0  0  0  0
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 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
74.95347187,-2.82311127,-0.07843311,-142.48911563,220.26187324,189.29652960
246.43008586,2.92128323,0.94159941,-1.90315633

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445022/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.70584

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.268571

>  <SCORE.INTRA>
-2.69416

>  <SCORE.INTRA.DIHEDRAL>
-3.95829

>  <SCORE.INTRA.DIHEDRAL.0>
9.24068

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.715013

>  <SCORE.INTRA.VDW.0>
-1.28057

>  <SCORE.INTRA.norm>
-0.076976

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.191595

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001439

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  221.3083  179.8786  243.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6794  180.7774  244.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0236  181.1084  244.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0118  180.5496  243.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6275  179.6327  242.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2818  179.3040  242.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4609  180.9212  243.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7152  182.2627  243.5144 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.8799  182.5213  242.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7985  181.6642  241.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1551  183.9274  241.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0266  184.9581  242.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2337  186.3048  242.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5942  186.6057  241.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7283  185.5853  240.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4883  184.2605  240.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5736  183.3487  239.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.8247  187.8630  240.5393 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0489  187.4047  243.3285 N   0  3  0  0  0  0  0  0  0  0  0  0
  225.6819  187.1663  244.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.2628  188.5573  242.9077 O   0  5  0  0  0  0  0  0  0  0  0  0
  225.7197  184.6387  244.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.5274  183.0308  244.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.2820  182.4716  239.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.7192  188.5332  241.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.6669  185.4546  244.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 26  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <CHROM.1>
-73.18460749,-79.96104687,-9.89920912,179.85910664,1.04624664,5.68735031
225.24369678,183.71875357,242.54194078,2.46855768,-0.97923283,-2.55951999

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445023/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.75262

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-4.64738

>  <SCORE.INTRA.DIHEDRAL>
-4.18856

>  <SCORE.INTRA.DIHEDRAL.0>
6.01352

>  <SCORE.INTRA.POLAR>
-0.679511

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.242767

>  <SCORE.INTRA.VDW.0>
-0.245539

>  <SCORE.INTRA.norm>
-0.211245

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.170574

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001783

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  183.5685  203.4003  261.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1122  204.1586  262.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1417  205.5557  262.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6445  206.1712  261.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1125  205.4325  260.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0673  204.0244  260.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5896  206.1809  259.2396 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5009  207.4637  259.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8041  207.8447  261.0395 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.9049  208.4710  258.6924 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.9501  209.7767  259.0856 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8324  210.3021  260.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8537  209.7167  260.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2603  208.3378  260.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2780  207.7946  261.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0056  208.5537  262.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7155  209.8439  262.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6444  210.5699  261.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4259  211.7688  261.7658 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5121  210.5276  263.3565 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.9553  211.3708  264.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6993  210.1874  263.4710 O   0  5  0  0  0  0  0  0  0  0  0  0
  185.4269  208.2188  257.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.5514  210.4413  258.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
-171.35095911,68.93702243,3.79524271,186.05498251,208.15321340,261.25607766
-2.69871290,-0.69155918,-0.60956190

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445024/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.0084

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.3916

>  <SCORE.INTRA.DIHEDRAL>
-0.635489

>  <SCORE.INTRA.DIHEDRAL.0>
3.83099

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07386

>  <SCORE.INTRA.VDW.0>
-0.897151

>  <SCORE.INTRA.norm>
-0.0632546

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.318564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  206.4469  197.3087  234.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7938  197.0864  233.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4232  198.0278  232.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0729  195.6333  233.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3389  197.2940  233.6369 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7368  198.4938  233.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3520  199.5230  234.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2101  198.4544  234.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7402  197.8104  235.2381 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8580  196.4548  235.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3845  195.7610  234.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2951  195.9255  236.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0268  196.5094  237.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4338  195.5997  238.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2832  194.3255  238.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8464  194.2700  236.6772 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.7274  193.2585  239.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3183  193.4941  240.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4472  194.7403  240.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0008  195.7955  240.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7839  192.4886  241.0372 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.3200  198.1539  238.3210 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.7268  196.4890  233.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1842  198.3641  235.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
62.74252249,76.12826956,-71.53395998,-23.79014779,202.09699191,196.22194710
236.59800083,-0.37250348,-0.86211767,-3.09860011

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445025/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1232

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-3.2768

>  <SCORE.INTRA.DIHEDRAL>
1.96859

>  <SCORE.INTRA.DIHEDRAL.0>
3.51423

>  <SCORE.INTRA.POLAR>
-0.536423

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.43726

>  <SCORE.INTRA.VDW.0>
1.45376

>  <SCORE.INTRA.norm>
-0.148945

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.278327

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000479

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  187.2701  217.3677  264.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0210  217.7511  263.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7703  217.1033  262.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5782  217.4340  261.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6852  218.3746  260.7391 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9699  219.0200  261.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0979  218.7367  263.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3208  219.4404  264.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7143  219.9894  264.8687 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.9426  220.3735  261.1249 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.5086  219.8135  259.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6932  218.5324  259.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4645  218.5654  259.4735 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4693  217.3825  259.5570 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9830  216.0579  259.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8934  215.0242  259.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4492  213.6999  259.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0908  213.3919  259.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1919  214.4166  259.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6394  215.7359  259.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6466  211.9846  259.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4035  211.0725  260.2786 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.3047  211.8837  259.8177 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.7861  210.5647  259.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3958  216.7710  260.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4465  217.5110  259.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
31.00551064,63.29559620,94.21024803,-171.53609990,0.48280274,-179.77396977
184.62161899,216.55837966,260.92804565,-0.92681422,0.71189098,3.03986016

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445034/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.58546

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-3.81454

>  <SCORE.INTRA.DIHEDRAL>
-0.290818

>  <SCORE.INTRA.DIHEDRAL.0>
3.55684

>  <SCORE.INTRA.POLAR>
-0.978504

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.342216

>  <SCORE.INTRA.VDW.0>
0.143451

>  <SCORE.INTRA.norm>
-0.152582

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.303418

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000060

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  196.6136  185.0313  242.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0285  184.7450  242.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3831  185.6205  243.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8003  185.3334  244.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1471  186.2119  245.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5630  185.9232  246.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9058  186.8005  247.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3222  186.5141  247.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6693  187.3721  248.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6882  188.2309  248.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0347  189.0949  250.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9435  190.5643  249.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3004  191.4351  250.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2097  192.9033  250.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5678  193.7732  251.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4793  195.2408  251.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8408  196.1027  252.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7675  197.5691  252.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7067  198.7855  251.7785 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <CHROM.1>
179.88126736,179.94531204,179.90857416,-179.87862521,-179.97749854,179.97479169
-120.06249028,-119.92654578,-179.87532282,179.96573155,-179.93396387,179.91368595
-179.85865707,179.25894011,202.94364109,189.79292250,248.28031210,2.21843405
0.69728278,-2.96025397

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445035/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.6682

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02105

>  <SCORE.INTRA>
-0.731787

>  <SCORE.INTRA.DIHEDRAL>
-1.45533

>  <SCORE.INTRA.DIHEDRAL.0>
1.45779

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00412336

>  <SCORE.INTRA.VDW.0>
-2.03483

>  <SCORE.INTRA.norm>
-0.0385151

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.982538

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 42  0  0  0  0  0  0  0  0999 V2000
  216.5342  189.1680  239.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9924  190.3161  240.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1452  191.2423  239.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1843  189.8365  241.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9928  189.1523  242.9473 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.1346  188.8400  244.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9080  188.7054  244.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8354  188.7163  245.3610 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5772  187.8835  242.4582 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7826  187.3911  242.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8508  187.5960  242.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6964  186.5137  244.2028 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.2120  185.1085  243.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3134  184.0393  244.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7224  183.5284  245.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5056  183.9296  245.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9630  182.5257  244.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2696  181.9622  244.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0163  186.4627  244.8411 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4531  187.4305  245.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7346  188.3510  246.1126 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8579  187.1989  246.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8975  186.0826  247.2295 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6619  186.2988  248.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5460  186.6326  249.3533 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2619  186.1191  249.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2773  185.7156  248.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9387  185.6099  248.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5554  185.9040  249.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5445  186.3218  250.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8879  186.4255  250.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1276  185.8316  250.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6202  186.1248  251.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1667  185.9985  251.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3358  185.6213  250.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9389  186.3666  252.9682 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5705  186.2718  253.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8485  188.7988  245.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3355  188.5102  246.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9213  187.2053  242.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6693  185.7722  244.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.7097  185.1604  246.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
69.56151472,174.02992976,23.35999109,148.29432822,-95.28775527,78.30992216
169.25040011,85.47505003,-77.48222270,96.80588103,-179.15072530,-70.63939114
-89.45386928,-86.14308000,1.39932450,-177.95810360,1.02432760,-178.92798778
217.14882164,186.67901126,246.27212531,1.35645061,0.47215453,-1.22106818

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445036/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8231

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.632432

>  <SCORE.INTRA>
-12.5769

>  <SCORE.INTRA.DIHEDRAL>
-3.50645

>  <SCORE.INTRA.DIHEDRAL.0>
14.2025

>  <SCORE.INTRA.POLAR>
-1.96111

>  <SCORE.INTRA.POLAR.0>
-0.0300219

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.15587

>  <SCORE.INTRA.VDW.0>
-0.493634

>  <SCORE.INTRA.norm>
-0.339915

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.292517

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005860

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  211.2836  187.3629  249.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8194  186.7498  248.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4756  187.5211  247.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6069  188.9078  247.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0770  189.5131  248.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4108  188.7387  249.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2298  189.7147  246.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6499  189.1568  245.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3222  191.0839  246.8919 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6885  191.9914  246.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7779  192.8915  246.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4694  193.2349  247.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1327  192.6203  248.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7598  192.9445  250.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7434  193.8787  250.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0777  194.4750  249.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4370  194.1500  248.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4277  192.2825  251.3451 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.2987  191.4411  251.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0855  192.6084  252.4905 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.9106  191.9552  244.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4676  192.9493  243.8084 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8420  192.5710  242.3999 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.1956  191.1157  242.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1295  190.3028  241.5245 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5948  190.8068  240.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9317  191.9050  240.2557 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7541  192.6960  241.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8526  193.5264  241.4519 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7665  189.8344  238.9250 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.4501  190.9340  243.8374 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2556  191.3641  247.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1097  190.6834  238.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7915  190.0763  244.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 31  1  0  0  0  0
 21 22  2  0  0  0  0
 23 22  1  1  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  CHG  2  18   1  20  -1
M  END
>  <CHROM.1>
-2.05821383,-119.12505579,121.41964663,-169.56052356,-0.03367181,179.03544044
212.25701352,191.22898606,245.98646808,-1.90249582,1.35473939,-1.27850603

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445037/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.614291

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-12.0143

>  <SCORE.INTRA.DIHEDRAL>
-19.1142

>  <SCORE.INTRA.DIHEDRAL.0>
20.9371

>  <SCORE.INTRA.POLAR>
-0.809752

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.29596

>  <SCORE.INTRA.VDW.0>
-2.6284

>  <SCORE.INTRA.norm>
-0.387558

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
-0.0198158

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001927

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 50  0  0  0  0  0  0  0  0999 V2000
  198.7548  223.9617  249.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8508  223.2506  250.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4046  222.1725  251.3662 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5776  221.3374  251.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3208  222.5025  252.4507 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5757  221.5277  253.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1640  220.9738  254.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1510  221.4282  253.2729 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9541  220.0765  252.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5278  219.6955  252.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5561  219.9237  253.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7463  221.3531  253.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1896  221.5937  254.4667 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.8748  222.6189  255.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3146  222.1150  256.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8293  223.9636  255.7372 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3340  225.1063  254.9733 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6983  225.4928  255.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0298  225.2027  256.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5240  226.2163  254.7672 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8583  225.6784  254.5146 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6675  224.8166  253.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1522  225.2700  252.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9028  223.4766  253.3851 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7155  226.8323  254.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5146  228.1224  254.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5688  228.8845  254.2636 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4828  228.1226  253.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7229  228.4444  253.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4364  227.4195  252.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9341  226.1251  252.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6950  225.8107  252.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9552  226.8231  253.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7983  230.2243  254.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5893  231.1184  253.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3556  224.8327  253.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9759  224.6592  252.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8690  224.3468  251.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5518  223.0441  251.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5198  222.7720  249.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1704  221.4419  249.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5734  220.4220  249.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5112  221.5295  249.5706 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1736  220.2956  249.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5809  224.2266  256.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1217  226.6475  253.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4015  223.1077  254.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  1  0  0  0
  5 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  6  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  6  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 47  1  0  0  0  0
 25 33  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <CHROM.1>
168.06484051,170.81784436,66.01482312,25.70283298,-108.87784530,-178.44103459
60.92214410,-176.48539135,-177.94138370,108.89893863,-178.78500326,197.60813824
224.07215060,252.97503473,-0.68029661,-0.56984381,-2.32922456

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445038/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71279

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372727

>  <SCORE.INTRA>
-8.68721

>  <SCORE.INTRA.DIHEDRAL>
0.95714

>  <SCORE.INTRA.DIHEDRAL.0>
7.57279

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.16578

>  <SCORE.INTRA.VDW.0>
3.77205

>  <SCORE.INTRA.norm>
-0.197437

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.175291

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000704

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  194.7461  222.4010  254.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0906  220.9423  255.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2947  219.9768  254.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5891  220.7298  255.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9014  220.6613  256.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5755  220.7855  257.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5657  220.4451  258.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0096  219.1185  258.9828 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9960  218.8052  260.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4937  217.3727  260.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6204  216.4824  259.8421 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9986  215.5915  259.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
62.71486061,179.84244050,-59.85066116,-179.88011997,-179.89536326,-61.06256871
-179.91375977,194.43764779,219.73765499,257.47451957,1.14079215,1.11311071
-0.57400002

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445039/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.66397

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
-1.73603

>  <SCORE.INTRA.DIHEDRAL>
-1.91767

>  <SCORE.INTRA.DIHEDRAL.0>
1.94133

>  <SCORE.INTRA.POLAR>
0.198524

>  <SCORE.INTRA.POLAR.0>
-0.198524

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.45218

>  <SCORE.INTRA.VDW.0>
3.25199

>  <SCORE.INTRA.norm>
-0.157821

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.878542

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051938

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 39  0  0  0  0  0  0  0  0999 V2000
  174.9998  214.3484  264.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.3901  215.6096  264.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4822  216.2714  264.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.1769  215.6617  263.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.7121  214.4210  262.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.6514  213.7477  263.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5589  213.9320  261.5561 C   0  0  1  0  0  0  0  0  0  0  0  0
  177.4747  215.1626  260.5627 C   0  0  1  0  0  0  0  0  0  0  0  0
  178.2279  216.3220  261.2286 C   0  0  1  0  0  0  0  0  0  0  0  0
  178.5096  216.1088  262.7105 C   0  0  2  0  0  0  0  0  0  0  0  0
  179.4850  214.9121  262.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7921  214.9130  263.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5503  213.7477  263.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9875  212.5681  262.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6878  212.5553  262.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9633  213.7431  262.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0328  217.4086  263.3173 N   0  3  0  0  0  0  0  0  0  0  0  0
  179.6577  217.3335  264.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.8709  218.4633  262.6941 O   0  5  0  0  0  0  0  0  0  0  0  0
  179.4971  216.3128  260.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6304  216.4327  260.8895 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.1683  216.1127  259.1635 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.9974  215.3682  259.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.3278  215.0945  258.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.9599  216.7945  258.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1716  216.0831  256.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8047  216.6254  255.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3081  217.8969  255.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1778  218.6175  257.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5046  218.0764  258.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2982  218.9984  259.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1007  219.8904  259.6436 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.0907  218.8774  259.9408 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.9179  219.5229  260.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  1  0  0  0
  7 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 23  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  6  0  0  0
 10 11  1  0  0  0  0
 10 17  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
>  <CHROM.1>
82.58082303,145.32783583,154.51140061,-176.09444603,178.99821762,216.09101852
261.05594981,2.95968660,1.13077442,0.65734810

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445041/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.43516

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.254545

>  <SCORE.INTRA>
-1.96484

>  <SCORE.INTRA.DIHEDRAL>
-1.10331

>  <SCORE.INTRA.DIHEDRAL.0>
12.5959

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.41319

>  <SCORE.INTRA.VDW.0>
-1.1463

>  <SCORE.INTRA.norm>
-0.0595407

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.195005

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001784

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  220.3607  184.3201  243.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4587  183.6764  244.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5054  182.2582  243.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0613  181.9260  243.7217 N   0  3  0  0  0  0  0  0  0  0  0  0
  220.0728  181.4597  242.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.3246  183.2299  243.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3907  181.0717  244.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2638  181.5951  246.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3562  181.8336  246.8769 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8936  182.3896  248.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5343  182.4978  248.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0915  181.9869  246.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8865  183.1031  249.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4895  183.2585  249.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8435  183.8437  250.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5917  184.2897  251.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9751  184.1480  251.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6190  183.5567  250.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
62.10155607,-64.15962631,179.48609012,218.98659853,182.86721898,247.06391633
-1.08890855,0.24963458,1.27281985

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445050/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.59846

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-0.801542

>  <SCORE.INTRA.DIHEDRAL>
-0.9893

>  <SCORE.INTRA.DIHEDRAL.0>
1.31583

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.306892

>  <SCORE.INTRA.VDW.0>
-1.04908

>  <SCORE.INTRA.norm>
-0.0471496

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.446968

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001234

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  195.6223  207.2857  264.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3119  206.9357  264.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1639  207.1095  262.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9349  206.7843  262.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9142  206.3105  263.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0067  206.1214  264.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2420  206.4464  265.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8330  206.0734  262.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2617  206.4192  261.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5115  206.8464  261.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2864  206.2788  260.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6443  206.6300  258.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7316  206.5398  257.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4212  206.1034  257.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0634  205.7368  259.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9863  205.8244  260.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3541  206.0346  256.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0467  206.9720  256.3552 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2340  207.3861  256.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5233  207.8360  254.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7407  208.2798  254.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0808  208.7182  252.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1587  208.6686  251.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5282  209.0448  250.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8311  209.4641  250.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7634  209.5188  251.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3907  209.1422  252.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2941  209.9037  248.7706 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
179.13698789,5.05092484,179.64373518,-1.83112157,192.01586406,207.43895181
257.47467199,-1.67277990,-0.32844948,-1.37919805

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445051/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.28117

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-2.11883

>  <SCORE.INTRA.DIHEDRAL>
-5.51205

>  <SCORE.INTRA.DIHEDRAL.0>
5.54882

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.637191

>  <SCORE.INTRA.VDW.0>
-0.341334

>  <SCORE.INTRA.norm>
-0.0756727

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.260042

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000758

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  186.5877  207.3315  261.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6298  206.5555  261.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2733  205.8263  263.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2390  205.1176  263.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5671  205.1282  263.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9349  205.8547  262.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9671  206.5644  261.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8243  204.2947  264.2773 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.1899  203.6479  265.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6440  203.5493  263.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8115  205.5434  264.8853 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0981  206.6744  264.0675 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0799  206.5343  263.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4096  207.6280  262.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5612  208.7382  262.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7871  209.7420  261.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9126  209.6651  260.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7751  208.5653  260.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5201  207.5349  261.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9633  210.8196  261.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5774  211.5058  262.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7116  210.6080  263.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0878  210.2811  264.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2924  209.4291  265.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1186  208.9038  264.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7310  209.2224  263.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5254  210.0739  262.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1401  207.8510  265.6389 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.4774  205.2152  265.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
2.42316864,-38.13159814,-83.86497187,-6.83864845,48.28573135,-66.15098635
121.59040418,190.61697550,207.42785418,263.18132933,2.23478493,-0.31726511
2.88962995

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445052/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.38708

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-5.01292

>  <SCORE.INTRA.DIHEDRAL>
-1.07905

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.4734

>  <SCORE.INTRA.VDW.0>
-0.536153

>  <SCORE.INTRA.norm>
-0.179033

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.263824

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  181.2338  206.8389  265.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0863  207.9155  265.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4524  207.6926  265.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9881  206.4002  265.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1221  205.3290  265.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7518  205.5466  265.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3750  206.2796  265.8499 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9291  205.1201  265.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6471  205.0296  266.1330 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.7977  206.3503  266.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.65583378,0.03647178,184.40983143,206.07118557,265.69466577,2.85339919
-0.15994823,0.09473509

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445053/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.75672

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.643277

>  <SCORE.INTRA.DIHEDRAL>
-1.99349

>  <SCORE.INTRA.DIHEDRAL.0>
1.99709

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.353469

>  <SCORE.INTRA.VDW.0>
0.182224

>  <SCORE.INTRA.norm>
-0.0714752

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.750747

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001141

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  187.1959  217.0393  253.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2143  216.6480  254.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0993  217.3113  255.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9533  217.0386  257.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9228  216.0465  256.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0400  215.3675  255.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2082  215.6584  254.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4152  214.9516  253.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1252  215.4183  252.1969 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9367  213.7080  253.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9922  214.3791  255.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8451  217.7932  258.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1201  219.2889  258.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4899  217.5710  259.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0506  213.2786  252.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.8408  213.8846  254.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-62.42332101,169.00601604,25.80184788,179.61702370,189.06182496,216.25171595
255.58049612,1.32664984,0.77133203,-1.98772116

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445054/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.59393

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-1.80607

>  <SCORE.INTRA.DIHEDRAL>
-1.55539

>  <SCORE.INTRA.DIHEDRAL.0>
5.15294

>  <SCORE.INTRA.POLAR>
-0.151471

>  <SCORE.INTRA.POLAR.0>
-0.796991

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.513375

>  <SCORE.INTRA.VDW.0>
1.51073

>  <SCORE.INTRA.norm>
-0.129005

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.399566

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 27  0  0  0  0  0  0  0  0999 V2000
  200.0492  215.0279  252.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2772  214.4058  253.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6633  214.4037  252.3774 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.1712  215.8634  252.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8627  216.0933  250.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9560  215.6973  249.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1512  214.4801  249.9035 N   0  0  2  0  0  0  0  0  0  0  0  0
  202.7493  213.7096  250.9959 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.2343  212.3382  251.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5210  211.6663  250.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1266  212.3788  248.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0292  213.6403  248.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2962  210.3646  250.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6481  209.2144  250.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5417  208.0844  250.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0546  208.0854  252.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7166  209.2032  252.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8512  210.3276  251.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4535  211.5502  252.1914 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1145  212.0425  253.4226 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6370  213.5182  253.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1517  211.9428  254.4773 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6226  212.1235  255.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
65.14069876,168.69291205,202.04620307,212.51257341,251.71516867,-0.66367101
1.27166692,2.15869119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445056/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30596

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-0.0940384

>  <SCORE.INTRA.DIHEDRAL>
0.476915

>  <SCORE.INTRA.DIHEDRAL.0>
0.271259

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.332496

>  <SCORE.INTRA.VDW.0>
0.0639621

>  <SCORE.INTRA.norm>
-0.00408862

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.317651

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001185

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  196.8608  214.4798  254.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0755  215.9914  254.7889 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.0020  216.6842  255.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5714  216.6302  255.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3253  217.3900  256.1166 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.4462  217.4009  253.4433 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.0059  215.8947  257.3266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.4727  218.4217  255.9695 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.7432  216.2800  255.4392 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.4608  214.1307  253.5392 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
71.74048830,-63.81597975,178.47636053,195.82135766,216.45209005,255.24833252
0.25856811,0.31168995,-2.37494672

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445057/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.32108

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-0.07892

>  <SCORE.INTRA.DIHEDRAL>
0.166158

>  <SCORE.INTRA.DIHEDRAL.0>
0.456579

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.161999

>  <SCORE.INTRA.VDW.0>
-2.47442

>  <SCORE.INTRA.norm>
-0.007892

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.832108

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.094220

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 45  0  0  0  0  0  0  0  0999 V2000
  192.6225  219.0527  248.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7374  219.5352  249.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9472  220.5711  250.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3583  220.4612  250.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8825  219.3863  249.7550 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8894  218.8385  248.9903 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1977  221.2829  251.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3875  221.8428  250.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2077  222.6535  251.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8457  222.9491  252.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6702  222.4150  253.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8561  221.5776  252.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4650  220.9225  253.3951 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.0503  221.6441  250.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8337  221.4638  250.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5152  222.8775  250.9032 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0469  223.3712  252.2076 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0982  224.3945  252.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0131  224.4784  251.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7372  223.5439  250.5614 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0818  225.4573  251.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9791  225.5800  250.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0663  226.5745  250.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8828  227.8441  251.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9143  228.7887  251.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1335  228.4667  250.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3349  227.2025  249.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3022  226.2566  249.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3928  229.6372  250.4338 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.1569  226.3702  252.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1621  226.1997  253.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0308  225.1958  253.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6432  223.9434  252.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2832  224.9253  251.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9851  225.4400  251.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0369  224.9748  252.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3741  223.9955  253.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6718  223.4806  253.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4413  225.6128  252.0671 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.7147  223.9888  249.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  6  0  0  0
 18 32  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 39  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
24.80591101,-126.51726283,-125.13869145,-52.32961025,-33.94465890,194.84970694
223.96644702,251.38796042,-2.65227802,0.16191196,0.16486386

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445066/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.83232

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-7.56768

>  <SCORE.INTRA.DIHEDRAL>
-8.2351

>  <SCORE.INTRA.DIHEDRAL.0>
23.37

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.45014

>  <SCORE.INTRA.VDW.0>
-4.70984

>  <SCORE.INTRA.norm>
-0.194043

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.0726235

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  214.2080  186.5571  250.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5702  187.6106  251.2862 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.2127  187.0730  251.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2708  186.8364  250.5931 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.9019  185.7823  249.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2682  186.2925  249.1648 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0625  187.5982  248.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4213  188.7014  249.2832 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.3668  188.9328  250.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0593  188.1626  249.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2211  190.0214  248.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5730  191.1193  249.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4099  192.3312  248.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8862  192.4877  247.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5017  191.3878  246.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6723  190.1866  247.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7804  193.7045  246.3321 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2597  194.8922  246.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8469  195.0135  247.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2320  196.0848  245.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7155  197.3072  246.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6949  198.4153  245.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1822  198.3055  244.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6923  197.0826  243.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7051  196.0113  244.6013 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1872  193.6874  245.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
175.79987704,2.46996638,-178.90653780,211.99205559,191.48398258,247.97909166
-1.25750548,1.11777572,-0.74425972

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445067/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.10324

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-0.296758

>  <SCORE.INTRA.DIHEDRAL>
-0.838412

>  <SCORE.INTRA.DIHEDRAL.0>
1.57994

>  <SCORE.INTRA.POLAR>
-0.000431134

>  <SCORE.INTRA.POLAR.0>
-0.00341138

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.123914

>  <SCORE.INTRA.VDW.0>
0.313276

>  <SCORE.INTRA.norm>
-0.0118703

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.32413

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000578

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  207.1028  194.0978  242.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6797  194.2915  242.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3517  195.3154  243.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0167  195.4817  243.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9861  194.6449  243.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3293  193.6319  242.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6589  193.4580  242.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7292  194.8507  243.8887 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3250  194.0943  245.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1067  194.5673  246.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6941  195.4532  247.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3158  193.9413  246.4892 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7553  192.9993  245.6311 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0000  192.6514  245.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4855  191.6154  244.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8494  191.3480  244.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2938  190.3736  243.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3905  189.6612  242.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0201  189.9424  243.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5702  190.9102  243.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8746  188.6091  241.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9946  188.0090  241.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1291  188.4120  241.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7398  196.5498  244.7811 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.3536  196.5152  245.8586 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9737  197.4550  244.4233 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.8504  194.2009  247.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
>  <CHROM.1>
-93.57577326,69.80898391,91.30494692,163.88179643,171.73017560,179.94344415
204.57250936,193.08586134,243.98856878,-0.79314671,0.79235041,-0.19605248

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445068/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.16508

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-3.23492

>  <SCORE.INTRA.DIHEDRAL>
5.80741

>  <SCORE.INTRA.DIHEDRAL.0>
1.52388

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.13862

>  <SCORE.INTRA.VDW.0>
0.370315

>  <SCORE.INTRA.norm>
-0.12442

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.314042

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  222.8081  167.7766  245.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8128  168.6342  244.4790 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.8013  167.7363  243.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9622  166.9914  243.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1294  169.5307  245.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2892  170.4378  244.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1248  170.5400  243.6409 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5776  171.3420  245.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7121  172.3086  245.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0097  173.1998  246.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0954  173.1529  247.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0001  172.2011  248.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7268  171.3060  247.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2946  173.9736  248.3464 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2906  173.8336  249.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1127  174.7258  250.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6732  174.8625  251.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5667  175.3679  248.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3145  174.9047  247.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0836  175.2744  246.6350 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4146  176.1778  248.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0432  176.6652  247.6425 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9731  177.5209  247.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3862  178.2314  246.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3320  179.1099  246.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8528  179.2715  248.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4099  178.5586  249.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4812  177.6853  249.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4029  176.6876  250.1218 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.2734  175.8827  246.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9018  175.7464  246.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 29  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
174.66737070,-1.76234197,179.20642189,174.01514913,-178.74710153,174.22507833
216.73516707,173.78960225,247.29674863,-0.45163828,-0.75690320,1.39644124

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445069/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.54793

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-3.85207

>  <SCORE.INTRA.DIHEDRAL>
-7.68168

>  <SCORE.INTRA.DIHEDRAL.0>
8.44408

>  <SCORE.INTRA.POLAR>
-0.0685889

>  <SCORE.INTRA.POLAR.0>
-0.724164

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.221977

>  <SCORE.INTRA.VDW.0>
-0.857802

>  <SCORE.INTRA.norm>
-0.13283

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.260274

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002957

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  186.7370  208.1789  262.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3241  209.5022  262.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7739  210.1323  261.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6355  209.4461  260.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0503  208.1146  260.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6013  207.4924  261.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9640  207.2899  259.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4298  206.0168  259.2253 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.6767  207.1809  258.7135 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.6478  207.8688  258.1246 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.9398  210.3351  259.2197 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
179.19557659,185.84624870,208.44479875,260.08161614,-1.48213500,1.14451732
-2.29115121

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445070/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.9297

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.470304

>  <SCORE.INTRA.DIHEDRAL>
-0.00102325

>  <SCORE.INTRA.DIHEDRAL.0>
0.720744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.469792

>  <SCORE.INTRA.VDW.0>
-0.37151

>  <SCORE.INTRA.norm>
-0.0427549

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.539063

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016718

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  201.8941  208.0548  244.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6473  208.1126  243.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9325  207.0895  242.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4474  206.0003  243.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6864  205.9383  245.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4167  206.9771  245.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1844  204.8909  245.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3836  204.0557  245.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6048  204.9287  247.2658 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1835  204.1275  248.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6384  204.3558  249.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2982  203.1464  247.9618 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7586  202.2783  248.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9186  202.2242  250.1534 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2060  201.1452  250.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5384  200.3943  249.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7400  201.0968  248.1700 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.2163  200.8649  252.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0041  201.7102  252.8634 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.9662  200.9574  252.6838 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.6498  199.6027  252.4165 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.4299  204.7181  242.6887 Br  0  0  0  0  0  0  0  0  0  0  0  0
  201.2768  205.6251  247.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0926  203.0067  246.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
-7.26953323,2.50163046,-2.40618512,199.41343926,203.66545702,247.13202994
-1.18400791,0.94295092,1.80872949

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445071/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.69671

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.70329

>  <SCORE.INTRA.DIHEDRAL>
-5.26757

>  <SCORE.INTRA.DIHEDRAL.0>
6.36951

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.930492

>  <SCORE.INTRA.VDW.0>
-1.3897

>  <SCORE.INTRA.norm>
-0.0774225

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.304396

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000605

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  200.9495  195.9052  253.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5791  197.0827  254.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5682  197.9504  253.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3772  199.2757  253.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6100  200.1776  253.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8881  199.6389  254.0219 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.2922  200.5362  255.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6788  201.8891  255.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9936  202.7282  256.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8895  202.2201  257.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5547  200.8784  257.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3011  200.0335  256.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1317  198.5781  256.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3545  197.9044  255.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8608  198.1742  254.3446 N   0  0  1  0  0  0  0  0  0  0  0  0
  203.9959  197.4628  253.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0921  202.8350  258.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6655  204.1702  258.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4045  204.0269  255.9912 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2255  204.3745  254.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0255  199.9503  253.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5356  200.3119  251.8646 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2382  199.0390  251.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3060  198.2392  250.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0824  197.0183  249.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7569  196.6071  249.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6912  197.4118  250.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9221  198.6199  250.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7576  199.4832  251.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1603  200.5792  252.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3914  201.2539  251.8462 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3037  195.4693  249.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9021  194.2255  249.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1033  196.2085  249.5508 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2218  196.0128  250.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2744  201.5770  250.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  6  5  1  1  0  0  0
  6 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 22 21  1  1  0  0  0
 22 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
120.81403405,-103.77982177,-35.41672668,38.88827550,67.75761441,42.41496814
45.26838738,202.71928770,199.31935666,253.42690274,-2.35887897,-0.59688498
0.36192470

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445072/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.17101

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.354286

>  <SCORE.INTRA>
-4.22899

>  <SCORE.INTRA.DIHEDRAL>
7.45263

>  <SCORE.INTRA.DIHEDRAL.0>
1.97101

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.95531

>  <SCORE.INTRA.VDW.0>
7.15199

>  <SCORE.INTRA.norm>
-0.120828

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.233457

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000187

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  200.4036  214.9588  249.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4557  216.0129  248.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9499  216.7093  249.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8638  216.1760  247.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8877  216.8063  246.4138 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5845  216.9636  245.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6717  217.4609  243.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0221  218.7588  244.1698 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8634  219.8950  243.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7432  218.8376  243.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5984  216.0063  246.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3253  216.5350  246.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1732  215.7657  246.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2594  214.4502  245.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5141  213.9007  245.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6678  214.6717  245.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0632  213.8004  245.6569 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9295  212.9357  244.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5193  218.1270  246.8551 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0175  218.5554  246.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
70.36745991,175.43935620,174.91999116,118.60130728,172.22322043,57.34686663
86.66305908,141.64739760,199.53632362,216.29073453,246.03059360,-0.33382646
0.67967153,2.26310135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445073/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86313

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-5.53687

>  <SCORE.INTRA.DIHEDRAL>
0.228389

>  <SCORE.INTRA.DIHEDRAL.0>
4.15274

>  <SCORE.INTRA.POLAR>
-0.814391

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.88214

>  <SCORE.INTRA.VDW.0>
2.40158

>  <SCORE.INTRA.norm>
-0.291414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.361217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000105

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  216.7221  189.5982  242.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0311  189.9864  242.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2781  191.1899  243.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2209  192.0290  243.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9063  191.6132  243.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6596  190.4058  242.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4989  193.3620  244.4958 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.1521  194.5598  243.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0288  195.1611  242.9440 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8249  194.9137  243.4511 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8595  194.2123  244.0874 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6284  194.5502  243.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5456  193.7965  244.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8343  192.7362  245.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7852  192.0769  246.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4619  192.4830  245.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1735  193.4993  244.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2148  194.1669  244.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4609  191.7942  246.5831 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2410  192.4219  246.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9619  193.5822  246.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3761  191.5049  247.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5814  190.1949  248.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4785  189.6688  248.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4620  190.5856  248.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8292  192.0640  248.1163 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.7401  193.4122  245.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5972  195.6897  242.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.8098  193.4965  245.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  6  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
110.32678063,-100.03710365,-70.51842450,-176.36577954,0.46748651,153.61384621
-2.31234294,-0.07738642,212.40709311,192.46009669,245.31709455,-0.14389585
-0.38666182,3.03476856

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445074/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56266

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-5.83734

>  <SCORE.INTRA.DIHEDRAL>
-5.70149

>  <SCORE.INTRA.DIHEDRAL.0>
9.05353

>  <SCORE.INTRA.POLAR>
-0.779227

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.337222

>  <SCORE.INTRA.VDW.0>
-1.88725

>  <SCORE.INTRA.norm>
-0.216198

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.243061

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000602

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  190.9244  212.8202  242.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2439  212.0875  242.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1523  212.6426  242.9924 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8170  212.2343  243.2266 P   0  0  0  0  0  0  0  0  0  0  0  0
  195.1427  213.0765  241.9808 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9721  213.4630  244.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8211  212.7509  246.1403 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1291  213.7161  247.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4342  212.0253  246.3119 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2729  212.9922  246.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8880  212.3580  246.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7814  211.0215  245.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8746  210.2981  245.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2918  210.7098  245.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4073  210.5668  245.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4817  211.8262  243.4609 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0522  210.7958  242.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5121  210.5897  242.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.94067738,78.41490677,97.52514802,179.12480695,172.72608177,-51.79487366
179.45785436,193.74578483,212.03374625,244.28736920,2.81768743,0.06123635
1.44998534

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445075/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.43753

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-7.96247

>  <SCORE.INTRA.DIHEDRAL>
-2.0924

>  <SCORE.INTRA.DIHEDRAL.0>
5.93937

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.91627

>  <SCORE.INTRA.VDW.0>
4.09902

>  <SCORE.INTRA.norm>
-0.44236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.246529

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  197.1061  194.6814  233.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1129  193.5280  233.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7447  194.0879  233.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6694  192.5134  232.5821 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9031  191.2673  232.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4273  190.1913  233.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7391  190.7000  235.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2401  189.7568  236.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4653  190.3391  237.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7284  189.4601  236.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4900  190.9769  235.1380 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.1270  189.7452  235.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8772  191.6345  233.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7394  192.1502  236.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9368  193.2902  236.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1101  194.1606  237.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0786  193.8933  238.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8603  192.7428  238.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6959  191.8732  237.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2876  194.7861  239.7508 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6124  195.8300  239.6979 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.7637  195.0237  240.0534 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5921  196.6069  238.4787 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2836  196.9197  241.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6465  192.3414  232.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2772  194.3426  240.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
167.93146985,-94.40770826,49.80812657,136.37817524,-175.47715749,-88.58296443
-45.07696308,-102.01284814,-78.23849951,198.22614026,192.83679444,236.47172024
2.76853671,1.01710318,2.91272554

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445076/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.67653

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-6.72347

>  <SCORE.INTRA.DIHEDRAL>
2.47218

>  <SCORE.INTRA.DIHEDRAL.0>
4.01621

>  <SCORE.INTRA.POLAR>
-0.999802

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.56023

>  <SCORE.INTRA.VDW.0>
1.3946

>  <SCORE.INTRA.norm>
-0.280144

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.319856

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003144

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  202.7284  193.4936  241.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9720  194.9165  241.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6658  195.9368  240.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2262  195.7835  240.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2980  196.7631  240.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9389  196.6723  239.9668 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2108  197.7939  240.3884 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8455  197.9528  240.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0587  197.0518  239.7440 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3107  199.2720  240.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0027  199.5340  240.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4026  200.7754  240.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1620  201.0359  241.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0372  202.4379  241.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2005  202.9812  241.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0274  201.9806  240.6925 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6714  204.3485  240.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8575  205.4211  241.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2665  206.7579  241.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5323  207.0040  240.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3596  205.9494  240.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9293  204.6283  240.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3574  207.8947  241.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2285  207.5820  242.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7936  209.0778  241.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2837  200.2340  241.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9007  201.2071  242.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6253  199.9445  241.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9970  198.8110  240.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7075  198.3855  240.8714 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.9545  194.3844  239.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3067  193.3263  240.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5458  195.7653  240.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6227  196.2650  239.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5 30  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7 29  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-140.76267451,0.77876712,0.20243023,197.22528768,200.50030889,240.90690823
-0.98055039,-0.02718682,0.07350490

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445077/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.41569

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2625

>  <SCORE.INTRA>
-3.98431

>  <SCORE.INTRA.DIHEDRAL>
-9.72969

>  <SCORE.INTRA.DIHEDRAL.0>
14.3267

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.880531

>  <SCORE.INTRA.VDW.0>
-1.21724

>  <SCORE.INTRA.norm>
-0.12451

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.13799

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000619

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  209.3418  189.3447  245.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3816  190.3338  246.2593 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1823  190.1991  247.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8616  191.6176  247.5967 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.2640  191.5815  248.2475 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.1570  190.9874  249.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3801  191.2506  250.5475 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5573  192.7363  250.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0044  193.5214  251.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8746  194.9751  251.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0425  195.6560  251.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8115  195.5583  250.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3688  194.7660  249.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0610  193.2750  249.1696 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.8408  193.0249  248.1845 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0883  193.4604  246.7272 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.0229  193.0716  245.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7970  192.2240  246.1239 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.4617  190.9157  245.2934 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7304  189.9970  245.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8750  190.3454  245.4138 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5176  188.6118  244.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5918  188.5716  243.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9272  191.2093  244.0166 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5966  193.2372  245.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3532  193.0423  246.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8141  193.8376  248.6400 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.3762  192.5775  248.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1392  190.8023  251.8068 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.5378  187.6474  243.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7840  190.3794  243.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2878  192.0746  246.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 19  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  1  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  6  0  0  0
 15 16  1  0  0  0  0
 15 27  1  1  0  0  0
 16 17  1  0  0  0  0
 16 26  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  6  0  0  0
 19 20  1  6  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <CHROM.1>
73.37703683,-118.54192312,-74.50530381,40.22251280,-179.70076960,213.06162599
192.04847410,247.72486723,2.50118931,-1.05246224,-1.29472891

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445078/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.98519

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.255172

>  <SCORE.INTRA>
-4.41481

>  <SCORE.INTRA.DIHEDRAL>
-2.87545

>  <SCORE.INTRA.DIHEDRAL.0>
6.14096

>  <SCORE.INTRA.POLAR>
-0.586918

>  <SCORE.INTRA.POLAR.0>
-0.617627

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.981561

>  <SCORE.INTRA.VDW.0>
-0.799256

>  <SCORE.INTRA.norm>
-0.152235

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.102938

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  177.4921  215.9031  261.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5002  216.2037  259.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4590  215.3963  259.0977 C   0  0  1  0  0  0  0  0  0  0  0  0
  175.0660  215.8864  259.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.2209  215.1627  259.9728 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.6320  215.4840  257.5518 C   0  0  1  0  0  0  0  0  0  0  0  0
  178.0069  214.9875  257.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2409  215.3426  255.6672 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.1227  216.9842  255.2340 S   0  0  0  0  0  0  0  0  0  0  0  0
  179.0795  217.1718  254.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.7122  217.2518  255.0581 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.6795  217.9217  256.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8573  218.8595  257.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3913  219.7169  258.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7354  219.5866  258.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5461  218.5988  258.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0166  217.7731  257.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3001  220.5064  259.5943 N   0  3  0  0  0  0  0  0  0  0  0  0
  179.5764  221.4240  260.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.4705  220.3172  259.9535 O   0  5  0  0  0  0  0  0  0  0  0  0
  175.5461  214.6234  256.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.1399  213.5782  257.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
  175.0761  215.0842  255.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.6890  214.8247  254.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
  175.4574  215.9364  255.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  1  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  2  18   1  20  -1
M  END
>  <CHROM.1>
69.47220503,-118.80392553,58.90763960,-168.24551317,-35.27259838,56.09374327
147.35738907,-121.28411410,-2.86442621,177.80427477,217.09007677,257.67153591
2.71613346,-0.80179111,-1.80695584

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445080/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86912

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-6.53088

>  <SCORE.INTRA.DIHEDRAL>
-1.30153

>  <SCORE.INTRA.DIHEDRAL.0>
7.30055

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.48012

>  <SCORE.INTRA.VDW.0>
-0.885331

>  <SCORE.INTRA.norm>
-0.283951

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.298657

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000724

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  193.0745  186.4354  285.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8955  187.2128  286.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0330  187.9287  285.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8551  188.7116  286.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1255  188.0442  284.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7255  187.1094  287.6232 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5850  186.4226  288.1908 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8793  187.5489  283.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <CHROM.1>
1.84436549,0.19567005,191.62848496,187.40065862,286.20972346,-0.89846653
0.61914687,-1.42754137

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445081/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-10.3164

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-16.7164

>  <SCORE.INTRA.DIHEDRAL>
-44.7163

>  <SCORE.INTRA.DIHEDRAL.0>
44.7419

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
5.6418

>  <SCORE.INTRA.VDW.0>
0.350498

>  <SCORE.INTRA.norm>
-2.38805

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
-1.47377

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005568

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  200.6778  210.1980  257.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1299  210.7439  255.7165 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.8746  209.6544  254.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4428  210.1731  253.6643 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6250  210.6516  252.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5175  209.9627  252.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7426  210.4943  251.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0595  211.7282  250.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1415  212.4389  251.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9310  211.9243  252.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0716  212.7949  252.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7880  213.5415  253.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2654  213.0394  255.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0211  213.7174  256.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3011  214.9100  256.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8109  215.4180  255.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0491  214.7368  253.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0588  211.4463  254.9412 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8276  210.6643  254.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8338  211.3952  253.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4938  212.7776  254.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7738  213.5617  254.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7405  212.7705  255.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-173.49148702,-53.72585189,-65.04713831,-49.64122458,-78.44674763,99.14701044
200.93273587,212.08266475,254.05648137,0.94829992,0.58856230,1.15297921

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445090/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.72924

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-7.67076

>  <SCORE.INTRA.DIHEDRAL>
-3.91162

>  <SCORE.INTRA.DIHEDRAL.0>
8.95214

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.71494

>  <SCORE.INTRA.VDW.0>
0.811304

>  <SCORE.INTRA.norm>
-0.333511

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.162141

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000602

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  194.3746  218.7214  255.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0097  217.4017  254.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5715  217.0058  254.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2113  215.6725  254.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7743  215.2613  254.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5636  215.0947  255.8441 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8740  216.1710  256.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4462  217.1474  255.8426 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6803  216.0455  257.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1035  214.9131  258.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7079  213.8689  257.8765 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9587  213.9266  256.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7054  212.5763  255.8649 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.8274  214.8525  260.1548 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.1217  216.4106  260.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0881  216.9426  258.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5208  218.3022  258.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6594  218.8100  259.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3522  218.5773  261.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5743  217.0808  261.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9793  213.0478  258.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-179.45540863,178.77669494,-60.34420965,103.16945292,190.48063112,215.96742385
257.38931933,-0.18859225,0.96602373,-0.05737660

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445091/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.61218

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-0.787822

>  <SCORE.INTRA.DIHEDRAL>
-0.121181

>  <SCORE.INTRA.DIHEDRAL.0>
2.36485

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.727232

>  <SCORE.INTRA.VDW.0>
-0.664554

>  <SCORE.INTRA.norm>
-0.0393911

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.430609

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  197.2308  210.4142  250.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5269  210.2549  248.6058 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.6504  211.2583  248.3626 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.4636  212.3187  249.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5129  211.8932  250.3204 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.0072  212.1621  251.6669 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1387  212.2608  252.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5416  212.6672  253.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9558  213.0136  254.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3500  213.5146  255.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7753  212.7619  253.0743 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3612  212.4439  251.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1614  212.4471  250.8744 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0366  210.6274  248.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0670  211.6123  248.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3680  210.5834  247.8416 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7451  213.0113  253.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9343  212.1681  249.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5615  210.4643  246.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  6  0  0  0
  3  4  1  0  0  0  0
  3 14  1  1  0  0  0
  4  5  1  0  0  0  0
  5  1  1  1  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
-179.06129363,-168.68013926,-80.98153395,64.97460090,198.61432843,211.88836335
250.87042167,1.67066948,-0.20893176,-1.91167885

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445092/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3222

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-2.0778

>  <SCORE.INTRA.DIHEDRAL>
-1.15973

>  <SCORE.INTRA.DIHEDRAL.0>
3.97284

>  <SCORE.INTRA.POLAR>
-0.997233

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.89266

>  <SCORE.INTRA.VDW.0>
-0.684327

>  <SCORE.INTRA.norm>
-0.129862

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.332638

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010372

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  202.0961  193.2222  251.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0004  194.7346  251.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8715  195.2011  250.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7740  196.7206  250.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6455  197.1756  248.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5464  198.6902  248.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4132  199.1398  247.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3187  200.6547  247.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1847  201.1026  245.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0911  202.6175  245.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9415  203.0653  244.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8503  204.5810  244.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6953  205.0305  242.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6025  206.5480  242.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4430  207.0014  241.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3510  208.5225  241.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1949  208.9777  239.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1168  210.4308  239.6981 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2573  210.7464  240.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0548  210.7301  238.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.95045108,-179.98834892,179.91818741,-179.80058767,-179.81654997,-179.96198962
-179.96709864,-179.37232807,-179.89494399,-179.78655143,179.94494095,-179.82912719
-179.95184212,179.85669527,-179.66028323,-66.40929051,201.11110568,201.89179446
245.76985312,0.14228953,1.47414711,-2.36397426

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445093/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
21.367

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.18889

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
0.0092127

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0492461

>  <SCORE.INTRA.VDW.0>
-2.08119

>  <SCORE.INTRA.norm>
-0.00183543

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
1.18705

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.052190

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  202.6400  206.9410  247.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0538  206.8304  249.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7830  207.1689  249.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3348  206.9511  250.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2272  207.3547  251.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1667  206.2667  251.7810 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3576  205.9767  251.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8605  206.2967  250.1617 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2263  205.2905  252.1594 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7400  207.6955  248.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7234  209.2250  248.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0055  209.9172  248.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8835  211.4023  248.1576 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4973  212.1121  246.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0086  211.4484  245.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6924  212.1560  244.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8663  213.5361  244.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3478  214.2076  245.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6616  213.4973  246.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4688  212.3088  249.4778 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.8567  212.6638  249.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4879  213.3342  249.7801 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4520  211.1599  250.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5485  210.3264  251.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4855  209.3499  252.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3839  209.2735  252.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3197  210.1607  252.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3519  211.1100  251.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2433  208.1869  253.7919 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6897  205.7938  249.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7833  204.4664  252.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6792  205.8410  252.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2298  207.2822  253.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8820  208.2064  254.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 33  1  0  0  0  0
 29 34  1  0  0  0  0
M  END
>  <CHROM.1>
-96.00275666,48.23688780,64.42427918,176.34456896,-93.90201192,10.98373373
89.15371768,86.76046052,-57.32506018,201.13059622,209.81142960,249.55864045
0.41844300,1.40010066,-2.68543573

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445094/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.31099

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496552

>  <SCORE.INTRA>
-11.089

>  <SCORE.INTRA.DIHEDRAL>
-13.0355

>  <SCORE.INTRA.DIHEDRAL.0>
19.4961

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.17126

>  <SCORE.INTRA.VDW.0>
-4.68573

>  <SCORE.INTRA.norm>
-0.38238

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.114172

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000512

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  220.9383  182.7491  244.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0078  181.5431  244.7820 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.5359  181.9755  244.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9107  181.9735  245.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9844  182.4046  243.7552 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2102  180.7918  243.5263 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0563  182.6952  243.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6017  181.1985  242.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.8198  179.8527  243.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <CHROM.1>
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-0.36501933,-0.01831449,1.13027283

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445095/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.51891

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-0.881088

>  <SCORE.INTRA.DIHEDRAL>
1.14324

>  <SCORE.INTRA.DIHEDRAL.0>
0.860032

>  <SCORE.INTRA.POLAR>
-0.163331

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.897381

>  <SCORE.INTRA.VDW.0>
0.570091

>  <SCORE.INTRA.norm>
-0.146848

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.08649

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.076443

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  200.8078  221.0350  258.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0992  222.0800  258.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9055  222.6368  258.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2194  223.5942  257.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7264  224.0048  256.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9001  223.4356  256.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5918  222.4888  256.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7700  225.1330  255.5963 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.5511  226.3238  256.3878 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4577  225.2419  254.3213 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2211  224.3186  255.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3032  223.1017  254.3440 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1155  221.9536  254.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2424  221.4937  254.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9776  220.4063  254.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6002  219.7658  255.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5055  220.2302  256.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7673  221.3179  256.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5673  222.5568  253.9888 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.8741  221.2065  253.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0652  220.2933  252.3282 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <CHROM.1>
58.16118797,-68.30431178,63.76564897,-120.53762315,-178.65394915,197.67513709
222.71985059,255.62521392,-0.17197357,0.72361203,-3.06296621

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445096/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.05335

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
0.0347061

>  <SCORE.INTRA.DIHEDRAL.0>
2.22184

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.364

>  <SCORE.INTRA.VDW.0>
-3.82721

>  <SCORE.INTRA.norm>
-0.111745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.383493

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000556

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  189.3492  208.4239  258.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1659  209.0198  258.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3976  209.7734  259.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8000  209.9319  260.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9950  209.3318  260.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7660  208.5817  259.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0621  210.6656  261.3767 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8521  211.2790  261.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1629  211.3293  260.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
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  187.4256  210.6823  262.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.2100  211.3008  263.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.9194  212.7273  262.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
2.70142493,-62.69902632,187.40666002,210.09426880,260.29249883,0.64410802
0.50877583,-1.86978338

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445097/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.28292

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.117077

>  <SCORE.INTRA.DIHEDRAL>
-0.0186233

>  <SCORE.INTRA.DIHEDRAL.0>
0.523336

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.107765

>  <SCORE.INTRA.VDW.0>
-0.273481

>  <SCORE.INTRA.norm>
-0.0117077

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.728292

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003654

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  214.3093  194.8481  248.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2879  193.9018  247.2073 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.6254  193.1458  247.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9843  192.3227  248.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1204  191.2068  248.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6097  189.8966  247.6513 P   0  0  0  0  0  0  0  0  0  0  0  0
  216.8468  189.2429  248.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3258  188.9544  247.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7485  190.3323  246.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0655  192.9771  247.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9392  192.0478  246.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9123  190.8304  246.2264 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8277  192.6947  244.9502 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0755  194.7239  246.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5795  189.3973  247.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5794  190.8322  246.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7396  192.0497  244.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8980  194.1258  245.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <CHROM.1>
58.22824867,177.81775968,-169.90040074,69.66658217,87.28182657,69.01985364
58.70312841,77.85458166,122.24857758,-179.50454417,214.63672618,191.72627179
247.12420283,-2.13139161,0.69752718,-3.00255825

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445107/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39057

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.814286

>  <SCORE.INTRA>
-5.00943

>  <SCORE.INTRA.DIHEDRAL>
1.17334

>  <SCORE.INTRA.DIHEDRAL.0>
4.33957

>  <SCORE.INTRA.POLAR>
-0.948363

>  <SCORE.INTRA.POLAR.0>
-0.785687

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.37167

>  <SCORE.INTRA.VDW.0>
2.04478

>  <SCORE.INTRA.norm>
-0.357817

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.456469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008214

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 18  0  0  0  0  0  0  0  0999 V2000
  202.9032  189.8133  241.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6624  191.0173  241.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6023  191.7869  242.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4407  193.1846  242.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3531  193.8078  240.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2041  195.1316  240.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1171  196.0253  241.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9899  197.2367  241.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1815  195.4212  242.9726 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3482  194.0233  243.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4089  193.5567  244.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6103  192.1896  244.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7354  191.2886  243.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9885  190.0320  244.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9360  190.2409  245.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7125  191.5513  245.7686 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-136.09456510,203.44032258,192.91050902,242.78838088,0.50307055,1.45920618
-2.51161845

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445108/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.17101

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.228988

>  <SCORE.INTRA.DIHEDRAL>
1.34824

>  <SCORE.INTRA.DIHEDRAL.0>
1.05586

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.90311

>  <SCORE.INTRA.VDW.0>
1.18185

>  <SCORE.INTRA.norm>
-0.0143118

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.385688

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005463

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 53 57  0  0  0  0  0  0  0  0999 V2000
  216.4363  190.6438  239.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1849  189.8544  238.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3076  188.7668  238.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7041  188.4872  239.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9582  189.2758  240.6605 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.8052  190.3304  240.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3259  188.9958  241.9815 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2044  188.0748  242.8358 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.6477  188.3891  244.2200 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3900  189.9114  244.1476 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0917  190.1729  242.7565 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2848  190.4344  245.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6889  190.6008  246.4602 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2839  189.2857  247.2307 P   0  0  1  0  0  0  0  0  0  0  0  0
  213.3435  188.1427  246.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7421  189.1548  246.8789 O   0  5  0  0  0  0  0  0  0  0  0  0
  214.1819  189.6912  248.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2753  188.5722  249.5798 P   0  0  1  0  0  0  0  0  0  0  0  0
  215.1630  189.3500  250.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0558  187.4789  249.7009 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3686  187.4532  250.3183 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3354  186.7379  249.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6723  185.6621  248.6682 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.0287  184.4720  249.3962 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.0811  183.9226  248.3316 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5522  185.2245  247.7212 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.6400  186.2000  247.8094 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0830  185.1317  246.3530 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7735  185.2275  245.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5970  184.8031  244.7230 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8744  184.6097  244.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3388  184.2394  242.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6582  184.3593  242.7188 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4697  184.7311  243.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1567  184.9567  245.0389 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8241  184.9015  245.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4719  183.8187  241.9734 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7827  183.0879  247.3993 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2551  184.8404  250.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4865  187.5743  244.3857 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5926  188.3898  242.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0465  187.9766  237.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5678  188.3005  236.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2166  186.8978  237.1881 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2465  188.0031  249.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9277  183.0095  242.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9650  184.5894  241.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2976  183.6294  246.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5919  185.5081  250.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.1159  187.6501  245.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1369  187.7987  243.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8235  186.4694  238.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0997  186.3697  236.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  6  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  1  0  0  0
  9 10  1  0  0  0  0
  9 40  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  6  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  1  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  1  0  0  0
 25 26  1  0  0  0  0
 25 38  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 28 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 46  1  0  0  0  0
 37 47  1  0  0  0  0
 38 48  1  0  0  0  0
 39 49  1  0  0  0  0
 40 50  1  0  0  0  0
 41 51  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 52  1  0  0  0  0
 44 53  1  0  0  0  0
M  CHG  2   5   1  16  -1
M  END
>  <CHROM.1>
-1.61093307,90.96627618,179.76415588,174.42637214,79.08581941,-57.26582071
-46.72872685,-161.48912019,169.91581569,-32.81640735,-151.02778055,-71.00693147
-67.85784101,54.23084364,-76.07491872,110.19024446,-58.00493984,214.91083664
187.36070862,244.96798691,1.98768813,1.54803106,-1.83456658

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445109/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.19878

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.395455

>  <SCORE.INTRA>
-25.5988

>  <SCORE.INTRA.DIHEDRAL>
-19.8296

>  <SCORE.INTRA.DIHEDRAL.0>
31.8994

>  <SCORE.INTRA.POLAR>
-2.05858

>  <SCORE.INTRA.POLAR.0>
-0.99

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.68479

>  <SCORE.INTRA.VDW.0>
-1.8365

>  <SCORE.INTRA.norm>
-0.58179

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
-0.186336

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004048

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  210.2682  206.2209  243.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7697  205.8779  243.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0268  206.4746  244.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6248  207.6864  244.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9538  206.8708  242.7504 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.7257  206.2338  242.2525 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1868  207.0057  241.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5808  204.3676  243.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9972  206.1056  242.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <CHROM.1>
-163.99427117,207.99523227,206.33094604,243.21449591,-0.12287337,0.71272421
-2.50759269

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445110/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.18073

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.219267

>  <SCORE.INTRA.DIHEDRAL>
0.169151

>  <SCORE.INTRA.DIHEDRAL.0>
0.570211

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.303843

>  <SCORE.INTRA.VDW.0>
0.36233

>  <SCORE.INTRA.norm>
-0.0274084

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.772592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  215.9807  179.2583  247.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5707  178.1528  246.8412 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2478  178.3936  246.1691 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.0223  177.3714  245.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4498  177.6515  244.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4116  175.9507  245.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0080  174.9886  244.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3015  173.6341  244.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0162  173.2238  245.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4368  174.1680  246.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1217  175.5204  246.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6201  176.6551  247.6420 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.9954  176.3787  247.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5700  176.6701  248.6352 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0852  179.7988  245.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8074  180.3154  244.7537 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0219  180.4258  246.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7880  181.7594  245.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  6  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
59.01715404,179.50041236,214.70525324,177.30998526,246.21240193,-1.97827333
0.98768457,-2.85168195

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445111/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.20855

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.191449

>  <SCORE.INTRA.DIHEDRAL>
-0.020634

>  <SCORE.INTRA.DIHEDRAL.0>
1.06212

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.181132

>  <SCORE.INTRA.VDW.0>
0.887657

>  <SCORE.INTRA.norm>
-0.010636

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.400475

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016204

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  207.5938  219.4964  262.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8253  219.7370  261.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6730  219.2952  260.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6986  219.4357  259.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4950  219.1082  258.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4188  219.2101  257.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4996  219.6431  256.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7034  219.9658  257.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7932  219.8549  258.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2666  219.7070  255.2346 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0572  219.2749  254.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1039  218.8546  256.3198 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.5928  219.2012  253.6885 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2680  219.5895  252.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3835  220.0591  252.4162 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4833  219.3235  251.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5557  220.1356  250.3901 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5601  218.1597  251.4119 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1340  218.5799  251.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6281  218.4096  252.8481 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3666  218.8268  253.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8003  218.6419  254.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5025  219.0696  254.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7605  219.6965  253.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3205  219.8839  252.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6099  219.4592  252.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1223  219.6465  250.8274 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3798  219.2018  250.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6493  217.3063  250.1943 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.5135  217.8339  249.0843 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8257  216.0940  250.3803 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.6248  218.9060  253.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 16  1  6  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END
>  <CHROM.1>
179.92765048,-174.07148331,-2.33620008,143.03639416,102.99686574,-106.07981495
-52.41552074,203.83470831,219.08977952,254.47896263,0.98572174,-0.02645578
1.46252481

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445112/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.63941

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-5.76059

>  <SCORE.INTRA.DIHEDRAL>
-6.32938

>  <SCORE.INTRA.DIHEDRAL.0>
14.0849

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.804099

>  <SCORE.INTRA.VDW.0>
-1.62993

>  <SCORE.INTRA.norm>
-0.185826

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.214174

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000035

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  222.9627  183.8240  246.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6885  184.6533  245.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1327  184.2915  244.4414 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9620  182.8486  244.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2428  182.0702  244.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7746  182.3509  245.9429 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8630  181.8926  247.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7225  180.4515  246.9777 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.6916  179.6662  247.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6430  178.3782  247.6434 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4927  177.7369  247.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3841  176.3514  247.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2101  175.6880  246.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1398  176.4042  246.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2499  177.7815  246.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4242  178.4375  246.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5509  179.9003  246.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6455  180.5464  245.9605 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8805  185.2247  243.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0863  186.5971  243.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7909  187.5554  242.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2875  187.1517  241.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0960  185.8024  241.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3917  184.8553  242.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8912  188.3212  240.2724 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-3.00395249,-176.75101769,80.44551655,220.99189202,182.35509245,244.84474051
-1.63626475,0.76177242,2.66799216

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445113/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.31824

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-1.08176

>  <SCORE.INTRA.DIHEDRAL>
-3.5347

>  <SCORE.INTRA.DIHEDRAL.0>
5.70761

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.685587

>  <SCORE.INTRA.VDW.0>
-0.516456

>  <SCORE.INTRA.norm>
-0.0432705

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.292729

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007809

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  200.1237  189.8987  248.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6313  189.6404  248.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8654  190.2077  249.7100 N   0  3  1  0  0  0  0  0  0  0  0  0
  198.0698  189.6117  250.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2176  191.6296  250.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7252  191.8665  250.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4132  191.3911  248.8348 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.9176  192.1853  247.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1586  193.1423  247.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2930  191.6959  246.4075 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7744  192.3037  245.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7407  191.4264  244.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2345  190.1969  244.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2702  189.8559  244.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2497  190.8955  243.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1359  191.8593  243.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3629  190.1299  249.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9033  190.7115  248.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2015  189.9133  247.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8175  190.4308  245.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1289  191.7457  245.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8133  192.5538  246.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2040  192.0410  247.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7754  192.2377  244.4835 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.0762  191.0599  246.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-51.66097006,125.73339650,-104.82668177,-1.39044861,121.89644454,197.74297608
191.24214207,246.87827187,-1.03883530,-0.13408734,-1.44827730

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445114/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.75487

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-2.64513

>  <SCORE.INTRA.DIHEDRAL>
1.00976

>  <SCORE.INTRA.DIHEDRAL.0>
2.57441

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.15001

>  <SCORE.INTRA.VDW.0>
-1.23447

>  <SCORE.INTRA.norm>
-0.115006

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.337168

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  222.7175  196.5745  243.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7994  195.4156  243.5431 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.1236  194.8131  242.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7875  195.1295  242.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1573  194.5891  240.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8511  193.7245  240.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1765  193.4004  240.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8081  193.9411  241.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5131  194.3675  244.2894 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6147  193.3483  244.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3992  192.1739  245.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1934  191.5447  244.4418 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0228  194.8142  245.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.6543  190.8144  244.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-102.07338117,172.20461027,171.90775234,-60.29816449,-179.77508303,221.51472236
194.03531535,242.83317734,-2.80048789,1.01600792,-3.13514360

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445115/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.72761

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.67239

>  <SCORE.INTRA.DIHEDRAL>
-0.319886

>  <SCORE.INTRA.DIHEDRAL.0>
1.26404

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.51245

>  <SCORE.INTRA.VDW.0>
0.891416

>  <SCORE.INTRA.norm>
-0.139366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.643967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  205.7749  192.1929  245.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7823  192.1157  247.1353 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.7431  190.6604  247.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4447  190.3246  248.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2563  191.2841  249.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7440  190.9605  250.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6557  192.6761  249.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3250  193.0764  248.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7422  194.5182  248.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2513  194.5807  248.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6502  193.9479  246.7908 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.2650  192.4389  246.6588 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.7368  192.0116  245.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0993  191.2010  244.5155 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1430  192.5205  244.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5399  193.9780  245.0763 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.1496  193.9583  246.5671 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2006  194.6742  247.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4274  194.0894  246.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0856  194.3715  245.1733 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.4661  195.8621  244.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8777  193.5694  244.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7691  194.9485  244.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0592  191.7686  247.5794 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.6085  193.7377  243.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  6  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
63.12727280,208.63360956,192.97097209,246.77795921,2.95685625,0.62853285
0.94948594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445116/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.06826

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.225

>  <SCORE.INTRA>
-2.33174

>  <SCORE.INTRA.DIHEDRAL>
-2.8957

>  <SCORE.INTRA.DIHEDRAL.0>
3.04739

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.883892

>  <SCORE.INTRA.VDW.0>
0.834855

>  <SCORE.INTRA.norm>
-0.097156

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.127844

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005321

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  206.6333  202.7989  252.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8051  201.3079  253.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0771  201.0997  253.6604 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4364  199.8239  253.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8048  198.8198  253.6117 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8024  199.7863  254.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3956  200.8439  255.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9496  200.5038  255.7459 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.9056  198.7502  255.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6550  198.5746  254.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3796  197.5083  254.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8291  202.1091  255.1190 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3786  203.2485  255.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4878  203.3281  256.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5697  204.5069  255.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1464  205.6505  256.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4309  206.8441  256.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1307  206.9208  255.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5436  205.7871  255.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2580  204.5787  255.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5190  208.1285  256.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7159  208.5926  254.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9262  202.2098  254.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-178.25223776,3.70419394,21.88677896,-178.94804203,-179.73996371,140.55365674
209.29507601,202.56538109,254.94988963,1.88619955,-0.49630723,0.28752683

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445117/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95259

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-5.44741

>  <SCORE.INTRA.DIHEDRAL>
-5.98186

>  <SCORE.INTRA.DIHEDRAL.0>
9.11979

>  <SCORE.INTRA.POLAR>
-0.593757

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.437706

>  <SCORE.INTRA.VDW.0>
1.19872

>  <SCORE.INTRA.norm>
-0.24761

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.270572

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001151

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  198.6122  205.0330  256.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9944  206.1652  255.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4016  207.3585  255.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7504  208.4878  255.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6875  208.4501  253.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2892  207.2791  253.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9551  206.1096  253.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5268  204.8595  253.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1849  205.0936  252.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5625  204.3599  252.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
111.18938686,198.97232323,206.25517990,254.10122047,0.69185404,1.23141076
1.58127712

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445118/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03049

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.369508

>  <SCORE.INTRA.DIHEDRAL>
-0.0221627

>  <SCORE.INTRA.DIHEDRAL.0>
0.756989

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.358426

>  <SCORE.INTRA.VDW.0>
0.516623

>  <SCORE.INTRA.norm>
-0.0369508

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.603049

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019689

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  207.2075  196.3528  243.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9964  197.2797  244.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9261  196.8417  245.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0342  195.4651  245.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2495  194.5402  244.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3398  194.9904  243.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3652  193.8588  242.9622 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.1542  194.8658  246.6322 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.7108  197.6837  245.9459 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0710  198.3781  247.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4766  197.4143  248.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0724  197.0070  249.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2143  197.0261  247.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8682  196.3929  248.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
74.87975644,60.07094732,91.51042831,179.05560735,208.35505182,195.94522468
245.62682315,2.20052526,0.81249102,-2.60130378

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445119/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.44964

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-2.95036

>  <SCORE.INTRA.DIHEDRAL>
-0.929269

>  <SCORE.INTRA.DIHEDRAL.0>
6.78167

>  <SCORE.INTRA.POLAR>
0.181592

>  <SCORE.INTRA.POLAR.0>
-0.181592

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.10314

>  <SCORE.INTRA.VDW.0>
1.22406

>  <SCORE.INTRA.norm>
-0.226951

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.419203

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001674

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  204.9342  216.4781  240.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8434  215.5278  241.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8620  214.5371  241.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9604  214.4861  240.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0277  215.4855  239.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0151  216.4694  239.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8384  213.1268  240.4286 P   0  0  1  0  0  0  0  0  0  0  0  0
  200.5893  213.3956  239.6413 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7688  212.0448  239.6660 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6230  212.4051  241.8576 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9925  213.0103  242.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9200  212.2952  244.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3958  212.9043  245.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9354  214.2262  245.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9600  214.9241  243.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4808  214.3039  242.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4439  214.9054  246.3797 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.4288  214.2598  247.4363 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0912  216.0880  246.2727 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.5888  211.8292  240.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  6  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
>  <CHROM.1>
155.75374352,55.18830537,66.61429641,-177.49961012,201.60327827,214.14817340
242.52395020,-0.68647306,0.82167324,0.83534562

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445120/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.90212

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-1.49788

>  <SCORE.INTRA.DIHEDRAL>
-3.07044

>  <SCORE.INTRA.DIHEDRAL.0>
8.33419

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.037341

>  <SCORE.INTRA.VDW.0>
-1.93941

>  <SCORE.INTRA.norm>
-0.0788357

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.36327

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010549

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  210.7344  177.5692  241.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3279  178.8667  241.1421 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.6834  179.1378  239.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9789  179.9987  242.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8569  178.6718  241.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5758  179.8964  240.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0778  179.6738  240.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6132  180.8793  239.8345 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2123  180.9529  239.5933 P   0  0  1  0  0  0  0  0  0  0  0  0
  217.6950  179.8446  238.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4062  182.6007  238.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7598  180.7750  241.0545 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  6  0  0  0
  9 12  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
179.91799073,-179.69036434,-179.75552018,-179.96751806,55.19876488,214.59732159
180.02452184,240.32384632,-2.72882297,0.02952763,-0.54439815

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445121/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3763

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-0.0236552

>  <SCORE.INTRA.DIHEDRAL>
-0.00460963

>  <SCORE.INTRA.DIHEDRAL.0>
0.0255982

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0213504

>  <SCORE.INTRA.VDW.0>
1.03659

>  <SCORE.INTRA.norm>
-0.00197127

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.864695

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.311258

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  218.9926  190.8316  244.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4325  190.7991  245.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6642  191.4833  246.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8138  191.8333  247.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0003  191.5390  246.9400 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5939  192.1396  248.1336 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.1090  192.0159  247.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4877  192.5818  246.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0229  194.0796  246.3417 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.9005  194.2432  244.8051 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.1681  194.6461  244.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1045  194.1462  242.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6926  193.8826  242.0169 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.3993  194.4088  242.8037 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.7480  195.0427  244.1735 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.5085  195.3104  245.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6646  195.0724  246.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6752  194.3864  247.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2954  193.6427  248.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3708  193.2197  242.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9220  192.1996  241.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3949  192.2979  242.0847 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.3480  191.0493  242.0269 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.4772  191.2596  240.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9728  190.4672  243.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9155  189.9995  244.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4782  189.3382  245.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4238  188.8694  246.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5588  187.7322  246.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1155  188.4308  247.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6166  194.7118  240.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1530  194.9672  246.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  6  0  0  0
 14 15  1  0  0  0  0
 14 20  1  1  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
13.08250084,179.90189666,-179.07264157,-39.91683997,60.12077229,176.90546118
179.57375670,66.12321140,223.02126969,192.34523104,244.96205702,-2.38509532
1.20483980,-0.23388861

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445130/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.46719

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-5.93281

>  <SCORE.INTRA.DIHEDRAL>
-2.74436

>  <SCORE.INTRA.DIHEDRAL.0>
8.34374

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.56063

>  <SCORE.INTRA.VDW.0>
-1.54495

>  <SCORE.INTRA.norm>
-0.1854

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.23335

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028942

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 35  0  0  0  0  0  0  0  0999 V2000
  217.9702  188.4377  244.1864 B   0  5  2  0  0  0  0  0  0  0  0  0
  218.6905  189.6910  244.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9621  190.0993  244.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3762  190.8852  244.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5655  190.8294  246.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3481  191.3317  246.1173 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8397  191.9320  245.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4510  191.8733  244.3573 B   0  5  1  0  0  0  0  0  0  0  0  0
  216.4234  190.8754  243.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3636  191.0719  242.0581 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9073  190.1290  241.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2546  188.9556  242.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0037  188.1844  242.7891 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3028  188.2432  242.8580 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7867  189.2879  243.0088 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.8794  190.7541  242.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0140  190.2678  239.5192 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.5206  188.5303  239.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2612  191.6349  245.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4218  190.5938  245.3987 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7212  189.7468  246.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9719  189.9892  246.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9986  189.4018  246.3663 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9507  188.5453  245.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1055  191.6056  247.9570 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.3822  192.4121  248.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6825  188.4453  247.0195 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.1239  188.8101  246.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2662  193.1775  243.7727 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.8610  189.0880  246.8185 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.3036  187.9819  246.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9831  192.4767  244.3247 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.0328  193.5129  245.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8500  187.3076  244.4136 F   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 24  1  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 29  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  2   1  -1   8  -1
M  END
>  <CHROM.1>
164.34129795,25.06552773,169.70390353,25.85328478,-5.77965338,14.89343935
216.84923550,190.18672270,244.56873347,-0.55469925,-0.16100359,-1.67587758

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445131/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.16267

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-8.23733

>  <SCORE.INTRA.DIHEDRAL>
-12.4883

>  <SCORE.INTRA.DIHEDRAL.0>
14.7276

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.99317

>  <SCORE.INTRA.VDW.0>
-0.313127

>  <SCORE.INTRA.norm>
-0.242275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.0930196

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000847

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  223.0693  190.1705  245.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1619  191.0295  245.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4300  191.9627  244.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6175  192.0481  243.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5077  191.1858  243.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6634  191.2628  241.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7290  192.1318  240.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7388  191.8961  239.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7247  190.6262  240.3268 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.5739  190.3764  241.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3046  189.4280  242.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1470  189.3816  243.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2374  190.2377  244.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1437  188.4889  242.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3987  188.5549  241.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8844  187.3571  244.0750 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.7770  193.0208  244.5261 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-0.77157216,221.59896567,190.47079040,242.96555089,-0.05115560,0.61970806
2.17467882

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445132/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.06512

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-1.33488

>  <SCORE.INTRA.DIHEDRAL>
-3.88819

>  <SCORE.INTRA.DIHEDRAL.0>
3.89089

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.609219

>  <SCORE.INTRA.VDW.0>
-0.579255

>  <SCORE.INTRA.norm>
-0.0785223

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.297948

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004645

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  207.0406  202.3696  241.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7223  201.2929  241.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0814  200.4801  242.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7520  200.7365  243.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0746  201.8222  242.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7195  202.6323  241.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0671  199.8727  244.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0027  200.6167  245.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1813  200.7736  246.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2639  200.3418  245.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0779  201.5700  247.2600 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2073  202.2808  247.8665 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1220  203.8085  247.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6041  204.2145  246.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7788  203.6133  245.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3961  204.2732  245.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4726  203.6132  245.9737 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1883  201.9612  249.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2617  201.4056  249.9437 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2853  202.3831  250.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1945  202.0711  247.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3210  202.6507  245.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5638  204.0729  245.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.2881  202.2037  251.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  1  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
104.94828533,-71.46585311,-0.28576861,-158.24186144,108.98281351,-79.89175846
-10.96756809,61.86308194,70.38180621,-85.63410049,-63.23099503,179.13473486
206.40383612,202.01311471,245.64584247,-2.66765726,1.41773808,2.56362511

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445133/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09708

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.82

>  <SCORE.INTRA>
-8.30292

>  <SCORE.INTRA.DIHEDRAL>
-0.909587

>  <SCORE.INTRA.DIHEDRAL.0>
9.03834

>  <SCORE.INTRA.POLAR>
-1.56088

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.54114

>  <SCORE.INTRA.VDW.0>
-0.841589

>  <SCORE.INTRA.norm>
-0.415146

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.404854

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.122066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  215.4681  188.7932  250.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2708  189.0112  248.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4217  187.7013  248.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8194  186.5950  248.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7084  186.5976  250.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1649  187.8045  251.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2110  185.3600  250.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3883  184.8363  252.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8995  183.5869  252.3526 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2581  182.8891  251.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1581  183.2751  250.0115 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6323  184.5042  249.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4474  185.1505  248.3230 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.0724  185.5387  253.3669 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6952  185.3097  253.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6074  185.8037  252.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9051  186.7568  253.0708 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4615  185.0635  251.5782 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5810  185.3538  250.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5890  184.4976  249.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7610  184.7513  248.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9330  185.8647  248.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9051  186.7230  249.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7280  186.4661  250.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1558  186.1210  247.2481 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.0098  184.2123  251.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
87.41119727,-64.36536260,-108.82745793,178.80479010,215.46018413,185.76478251
250.30041530,-2.59264486,-0.23487044,1.75821164

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445134/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.937

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-4.463

>  <SCORE.INTRA.DIHEDRAL>
4.16974

>  <SCORE.INTRA.DIHEDRAL.0>
2.12513

>  <SCORE.INTRA.POLAR>
0.0335308

>  <SCORE.INTRA.POLAR.0>
-0.0335308

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.66187

>  <SCORE.INTRA.VDW.0>
2.1049

>  <SCORE.INTRA.norm>
-0.17852

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.19748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  222.6383  192.5042  234.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7469  192.9987  235.1572 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.6594  193.9467  234.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0051  192.4790  236.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1065  192.8720  237.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3888  192.2905  238.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5903  191.3338  238.9505 N   0  3  0  0  0  0  0  0  0  0  0  0
  223.4780  190.9703  238.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1842  191.5182  237.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9809  190.5577  240.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4672  190.9535  241.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.3385  190.0111  242.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2440  188.6859  242.0084 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.8017  188.3585  240.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4633  189.2596  240.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6295  188.6674  239.5520 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.6043  187.4976  240.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2547  187.1374  240.3319 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.7327  186.4896  239.1046 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.3907  185.7887  239.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0727  185.6971  237.6608 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.5905  187.0374  237.1295 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.7101  187.4026  237.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0166  187.0283  235.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1341  186.1580  235.4549 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7350  184.5699  237.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4531  190.5515  243.5079 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.2418  189.9347  244.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5930  188.4811  244.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1822  188.0917  245.9599 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.4771  188.3774  243.9256 F   0  0  0  0  0  0  0  0  0  0  0  0
  224.4478  187.4920  244.2984 F   0  0  0  0  0  0  0  0  0  0  0  0
  224.5448  190.4729  245.7372 O   0  5  0  0  0  0  0  0  0  0  0  0
  224.8867  185.2829  235.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.4285  183.7390  237.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  CHG  2   7   1  33  -1
M  END
>  <CHROM.1>
175.55493154,99.05262137,172.52236474,-76.38098073,61.98260586,-64.14821169
54.74380801,-166.97009626,224.29342392,189.16219102,239.75430107,-0.35262773
1.55894733,0.57876090

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445135/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09192

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-5.30808

>  <SCORE.INTRA.DIHEDRAL>
-4.71014

>  <SCORE.INTRA.DIHEDRAL.0>
7.23369

>  <SCORE.INTRA.POLAR>
-0.765971

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.348705

>  <SCORE.INTRA.VDW.0>
-0.534324

>  <SCORE.INTRA.norm>
-0.160851

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.184604

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026578

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  188.0807  196.4008  261.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5773  196.6337  261.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3309  196.6333  262.5176 N   0  3  2  0  0  0  0  0  0  0  0  0
  190.0764  195.7661  263.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0029  197.7825  263.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3558  199.1323  262.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7180  199.1323  262.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4095  197.9576  261.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8678  196.5895  262.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9718  198.2758  261.3571 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.6841  199.9709  261.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4291  200.3148  261.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8645  201.6625  261.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6878  201.9141  261.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7666  202.5623  262.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2740  203.8890  262.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3695  204.7968  263.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7398  200.7311  260.7812 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4833  201.9170  260.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3352  202.3592  259.9451 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6550  202.5610  259.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4146  203.6879  258.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3117  204.4036  257.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6226  203.9968  257.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4478  204.7448  256.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9710  205.9051  256.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6696  206.3286  256.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8477  205.5864  257.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6451  200.2872  260.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  9  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
52.26958396,149.92149161,-41.78447489,-178.91174678,-179.28766338,177.77038924
-1.79706463,193.33820534,201.13861902,260.64478352,-2.47660416,0.74113467
0.14260820

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445136/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.450204

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-11.9498

>  <SCORE.INTRA.DIHEDRAL>
-25.3042

>  <SCORE.INTRA.DIHEDRAL.0>
38.3371

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.702311

>  <SCORE.INTRA.VDW.0>
-0.458932

>  <SCORE.INTRA.norm>
-0.442585

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0166742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001310

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 12  0  0  0  0  0  0  0  0999 V2000
  199.4770  187.8081  248.8887 B   0  0  0  0  0  0  0  0  0  0  0  0
  198.4074  188.5899  247.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1341  190.0444  248.4370 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2410  190.1585  249.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9218  189.6170  250.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2950  190.2773  251.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1904  190.1566  249.8860 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.6274  188.7070  249.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4653  190.7936  248.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8619  186.4503  248.4620 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2752  185.5132  249.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  1 10  1  0  0  0  0
  3  2  1  1  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-106.82899423,199.08347517,188.87285752,249.36646599,-1.30522244,-0.55692785
0.39993993

>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445146/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
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>  <SCORE.heavy>
11

>  <SCORE.norm>
0.574959

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016160

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 41  0  0  0  0  0  0  0  0999 V2000
  218.6282  189.7777  249.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9610  190.1696  249.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4837  191.1304  248.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0431  192.4614  248.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5807  193.4081  248.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5665  193.0302  247.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0453  191.7152  247.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5296  190.7467  248.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1960  189.3942  248.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7723  189.0748  249.4475 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2363  188.1310  250.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9819  187.5118  250.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8445  186.5204  251.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9200  186.1433  252.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1585  186.7745  252.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3005  187.7908  251.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4006  188.5345  250.8545 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0873  189.3196  249.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0648  190.2723  249.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0873  191.6918  249.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5730  191.6603  251.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4882  191.3125  252.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3209  192.1979  252.2397 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7618  192.0748  250.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7698  192.4890  249.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2434  191.8719  253.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8455  192.3984  252.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6185  193.7907  252.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3768  194.2369  252.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3759  193.3629  252.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5432  192.0006  252.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7757  191.5194  252.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9152  189.8013  252.7495 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.2480  193.9902  251.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6461  195.3694  251.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9927  195.5340  252.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
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-60.73596361,221.42099607,191.01991488,250.79379269,2.41508428,0.54876602
-0.32597955

>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.344444

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.166493

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  196.4458  210.0908  239.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2028  210.2628  239.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4614  209.8038  241.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2147  209.9756  242.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4842  209.5227  243.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2394  209.6912  244.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5107  209.2315  245.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2653  209.3907  246.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5402  208.9244  248.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3067  209.0725  249.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5695  208.6141  250.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7999  208.2458  251.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1233  207.7575  252.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2736  206.8928  252.9318 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5949  206.4278  254.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9859  206.7020  255.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7897  205.5444  254.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3429  204.9505  255.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8950  205.1253  256.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5202  204.0110  255.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
>  <CHROM.1>
179.99401040,-179.64716026,-179.94048476,179.75129605,-179.70734201,179.82561049
-179.93355327,179.65999958,25.30040796,6.47928038,-179.99786269,0.16144223
179.35385987,193.80938712,208.01376506,248.89627790,-1.51730775,-0.48289705
1.89707537

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445148/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
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>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
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>  <SCORE.heavy>
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>  <SCORE.norm>
0.858276

>  <TransFSReceptor>
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>  <TransFSScore>
0.038444

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  193.8670  207.6756  244.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1603  207.7629  243.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
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  193.6833  206.0141  241.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
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  195.3888  206.3322  239.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4759  207.6949  240.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7225  208.2097  241.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9076  209.5354  241.5006 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8083  210.3974  241.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
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  196.0194  209.6099  238.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5264  204.0320  240.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1669  203.7099  239.1295 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8855  203.0833  240.9323 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8459  201.6860  240.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.3521  200.9238  242.7518 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3924  202.2848  243.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
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  192.6585  199.9063  243.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6549  198.6037  242.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
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  191.1439  199.0992  245.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
95.22452334,169.68317435,135.02458477,-45.78935211,-5.84298957,193.51633211
203.58027986,242.12203293,0.95338643,1.01231863,0.20949434

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445149/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3916

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-5.0084

>  <SCORE.INTRA.DIHEDRAL>
0.0805246

>  <SCORE.INTRA.DIHEDRAL.0>
10.1939

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.04866

>  <SCORE.INTRA.VDW.0>
7.83803

>  <SCORE.INTRA.norm>
-0.185496

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.199689

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000530

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  198.8928  214.9448  252.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7088  216.3621  253.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5184  216.7497  253.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3134  218.0766  254.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3196  219.0164  254.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5160  218.6358  253.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7086  217.3156  252.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2007  220.3485  254.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0012  218.3857  254.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7529  219.5347  255.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9995  217.2997  255.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8106  217.5714  255.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8459  216.5415  255.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5673  216.6054  256.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9995  215.3007  256.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7878  214.7050  256.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6125  213.3270  256.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6185  212.5507  255.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8263  213.1247  255.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9670  214.4947  255.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0632  215.2246  255.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7787  217.9794  257.0177 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.3188  220.4824  254.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-178.09077186,0.44092233,-179.61927793,-179.91464893,194.41538414,216.69898589
255.18105600,-0.27309737,-0.40542996,-2.92790201

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445150/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.50027

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-2.89973

>  <SCORE.INTRA.DIHEDRAL>
-7.8774

>  <SCORE.INTRA.DIHEDRAL.0>
7.89028

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.03897

>  <SCORE.INTRA.VDW.0>
-0.761417

>  <SCORE.INTRA.norm>
-0.131806

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.250012

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000261

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  191.5738  211.4628  247.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4167  212.6530  248.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7101  213.9386  247.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5567  215.1293  248.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8494  216.4158  248.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6954  217.6097  249.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9841  218.9037  248.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8304  220.0853  249.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1983  221.7329  248.3281 Br  0  0  0  0  0  0  0  0  0  0  0  0
  191.2799  210.1765  248.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4392  208.9851  247.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1480  207.6944  248.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3045  206.4986  247.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0128  205.2079  248.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1608  203.9819  247.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8529  202.7161  248.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8726  202.0168  247.8876 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7562  202.3721  249.0326 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5870  202.9055  249.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5684  201.5263  249.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
-179.98479254,-179.91216988,-179.85118890,-179.95137125,179.94693331,-179.87701701
-179.87521638,-179.94621704,179.92532816,179.88039430,179.98398108,-179.89313520
-179.44773610,110.77940613,191.58180302,213.13103854,248.30790376,2.12300159
1.44596887,2.61698260

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445151/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.8073

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.07778

>  <SCORE.INTRA>
-0.592652

>  <SCORE.INTRA.DIHEDRAL>
0.0959628

>  <SCORE.INTRA.DIHEDRAL.0>
1.09616

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.640633

>  <SCORE.INTRA.VDW.0>
-1.50693

>  <SCORE.INTRA.norm>
-0.0329251

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
1.04485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002689

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 44  0  0  0  0  0  0  0  0999 V2000
  200.3371  220.6305  249.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0664  219.9072  249.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1154  219.6581  248.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9219  218.9723  249.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6910  218.5137  250.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6231  218.7766  251.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8066  219.4693  251.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4774  217.8254  250.7843 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9961  217.6831  252.3903 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.6075  217.2713  252.4241 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0175  216.9638  253.1186 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0623  219.3765  252.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5198  219.6608  254.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5908  220.9883  254.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2253  222.0582  253.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7789  221.7538  252.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7034  220.4227  252.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2891  223.4218  254.2615 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7184  223.8633  255.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1326  223.1473  256.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7146  225.3271  255.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3155  226.1799  254.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3492  227.5752  254.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7206  228.1419  256.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1808  227.2791  257.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1835  225.8864  256.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6724  229.6122  256.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1000  228.5204  253.3737 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.9623  227.9669  252.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1130  229.9290  253.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4601  228.1910  252.4181 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7762  226.8221  252.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9605  226.1263  251.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1700  224.7683  251.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2058  224.1068  251.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0314  224.8044  252.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8152  226.1659  252.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9182  218.7521  248.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8066  217.6708  250.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0472  224.1097  253.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2374  228.7670  252.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 41  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-162.10022893,165.41047496,-141.44699966,0.51312389,-2.36452160,46.65272627
53.17405733,73.57841716,196.06317684,223.07080821,252.88711453,-1.42347150
1.11131057,0.20493892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445152/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44106

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-6.95894

>  <SCORE.INTRA.DIHEDRAL>
-13.8138

>  <SCORE.INTRA.DIHEDRAL.0>
18.7648

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0520576

>  <SCORE.INTRA.VDW.0>
-4.87365

>  <SCORE.INTRA.norm>
-0.18313

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.169502

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  229.6652  189.7729  242.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0132  189.6811  243.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1924  190.2246  244.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0153  190.8618  244.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6369  190.9768  243.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4833  190.4164  242.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3958  191.6936  242.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0635  191.9755  244.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0394  191.4742  245.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6212  192.0745  241.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0466  191.7532  240.6308 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.2611  192.1250  239.5772 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6674  191.8280  238.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6925  191.1984  237.9963 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7261  192.3461  237.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3271  191.7105  237.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1021  190.3778  236.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8458  189.7806  237.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8019  190.5002  237.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9978  191.8159  238.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2522  192.4149  237.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2500  189.7697  237.7703 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.7083  193.8819  236.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9807  194.4669  235.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9558  195.8532  235.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6663  196.6810  236.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4008  196.1346  237.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4318  194.7472  237.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6558  198.3840  236.3501 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.2734  191.8797  235.8826 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.0501  191.5456  246.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.3968  192.6247  239.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.1705  192.2678  235.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 30  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
0.26390860,179.11468451,-60.87369935,-77.32317170,175.12614209,-59.98594915
224.89610623,192.40214698,239.19496085,-0.79696269,-0.62379619,-0.62826823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445153/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.21632

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-4.18368

>  <SCORE.INTRA.DIHEDRAL>
-6.43983

>  <SCORE.INTRA.DIHEDRAL.0>
8.64221

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.963767

>  <SCORE.INTRA.VDW.0>
-1.9338

>  <SCORE.INTRA.norm>
-0.139456

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.207211

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  196.6585  223.9476  248.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6774  222.4539  248.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7361  221.5380  249.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8177  220.0800  249.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9106  219.5107  248.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9781  218.1546  248.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9484  217.3533  248.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8444  217.9056  249.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8179  219.2742  250.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6483  219.7501  251.1465 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7612  221.8401  251.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6278  222.0463  247.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2907  220.6099  251.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6215  219.8290  250.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7165  222.7977  251.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-48.50334683,0.88455104,14.23578198,196.97315493,220.41289173,249.40042282
1.80171559,-1.06190917,0.13289056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445154/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.06087

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-3.33913

>  <SCORE.INTRA.DIHEDRAL>
-5.51324

>  <SCORE.INTRA.DIHEDRAL.0>
13.3983

>  <SCORE.INTRA.POLAR>
-0.678227

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.72346

>  <SCORE.INTRA.VDW.0>
-1.02152

>  <SCORE.INTRA.norm>
-0.278261

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.338406

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000717

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  209.3414  188.4665  237.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3976  189.8233  237.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5376  190.7715  238.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6186  190.3869  239.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5656  189.0070  239.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4296  188.0694  238.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3759  186.7581  239.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7105  191.3217  240.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3625  190.8004  241.7635 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.9843  191.7788  240.7253 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.9434  192.4318  240.3891 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.6098  192.1626  237.6256 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.6483  192.6071  236.9878 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6591  192.7673  237.8787 O   0  5  0  0  0  0  0  0  0  0  0  0
  209.2782  186.2091  238.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
>  <CHROM.1>
160.03378511,0.37274898,209.59788655,190.61414920,239.04768273,2.37243356
1.45722637,2.53740300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445155/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.01171

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.388291

>  <SCORE.INTRA.DIHEDRAL>
-0.0374491

>  <SCORE.INTRA.DIHEDRAL.0>
0.72222

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.369566

>  <SCORE.INTRA.VDW.0>
-0.249913

>  <SCORE.INTRA.norm>
-0.027735

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.429408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002572

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  215.5956  185.4657  243.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9123  186.0180  244.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4766  187.2880  244.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7458  187.9652  243.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3249  187.4756  242.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7696  186.2018  242.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6083  189.0617  243.4793 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.3976  189.8087  243.4857 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  3  0  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
85.75721756,216.62877070,187.44333752,243.41668172,3.02881543,0.99998693
1.74101511

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445156/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31333

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.0866663

>  <SCORE.INTRA.DIHEDRAL>
-0.169151

>  <SCORE.INTRA.DIHEDRAL.0>
0.481551

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00209084

>  <SCORE.INTRA.VDW.0>
-0.25111

>  <SCORE.INTRA.norm>
-0.0108333

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.789167

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015193

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  196.6985  219.3867  261.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9228  220.0083  261.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4659  221.4065  261.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8021  222.2574  260.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7287  221.4287  259.5986 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7218  219.8630  259.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3299  221.8608  260.0640 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4206  222.8411  261.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8521  223.5797  261.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5642  223.9629  260.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7450  225.0576  260.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0653  225.9657  259.5059 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4765  223.0911  263.0165 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8491  224.0486  260.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3749  225.0504  260.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9231  222.8302  262.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5104  222.8210  263.9613 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7815  222.2984  258.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7544  221.5760  257.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3512  221.8397  256.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9885  222.8366  255.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0361  223.5578  256.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4422  223.2544  257.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6068  223.0842  254.7008 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.1840  220.5443  258.6334 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.4857  223.2768  263.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1866  223.6430  263.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  6  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  3  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
112.62681175,154.79446539,195.60843878,222.53369496,259.70685120,-0.13318730
1.08750089,-2.91971304

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445157/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.68698

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.296

>  <SCORE.INTRA>
-0.713018

>  <SCORE.INTRA.DIHEDRAL>
-0.0593546

>  <SCORE.INTRA.DIHEDRAL.0>
1.07087

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.683341

>  <SCORE.INTRA.VDW.0>
-0.891968

>  <SCORE.INTRA.norm>
-0.0285207

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.267479

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000012

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 23  0  0  0  0  0  0  0  0999 V2000
  203.9582  194.0117  238.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5105  193.0152  237.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8745  192.4785  237.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4239  191.4867  236.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7831  190.9265  237.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8310  192.0244  237.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2361  192.5839  236.0299 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3281  192.4288  238.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1530  193.4803  238.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6805  193.9275  239.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4159  195.0429  239.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9545  195.5334  241.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1582  196.6919  241.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4003  196.6450  242.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5751  197.7978  243.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1104  197.4959  243.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2978  198.0528  242.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8352  197.7354  242.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4834  197.1289  240.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9663  195.6852  240.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4735  195.6174  240.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1939  195.0263  241.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9694  196.2942  239.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9417  196.2588  239.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.55300257,-179.56244178,-64.47961672,-68.49329402,-173.39668178,-174.36586408
-103.53421170,113.03466761,112.72759060,-106.94685187,-118.64875155,72.97675443
-68.62784247,118.64555125,-179.73683670,208.11001989,194.82576158,239.80724691
1.82033875,0.12252769,-2.35214364

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445158/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.0486

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.843478

>  <SCORE.INTRA>
-4.35141

>  <SCORE.INTRA.DIHEDRAL>
1.74638

>  <SCORE.INTRA.DIHEDRAL.0>
3.06572

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.2246

>  <SCORE.INTRA.VDW.0>
0.198253

>  <SCORE.INTRA.norm>
-0.189192

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.654287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008630

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  206.8078  205.4767  234.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0392  204.6441  235.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9353  205.1614  236.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6889  204.5471  237.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7819  205.1754  238.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0648  206.3599  238.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1377  206.8454  237.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0984  206.2362  236.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3856  206.8472  240.0706 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2514  205.9999  240.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2883  204.8564  239.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4077  203.5418  240.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7622  203.6724  242.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2632  205.0271  242.4779 N   0  0  2  0  0  0  0  0  0  0  0  0
  207.3046  206.0141  242.2381 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.5012  205.6352  243.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0710  205.1337  244.6465 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5348  205.2007  244.9651 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6456  205.3704  243.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8528  204.1585  245.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5876  202.8843  246.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7526  202.6109  245.2921 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7357  203.8077  245.1772 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.2862  204.0390  246.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0188  204.9994  247.2981 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0321  202.9830  247.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5612  203.1099  248.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4020  201.3989  245.6787 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8390  207.5612  240.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.8990  201.5555  246.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 17 16  1  6  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  1  0  0  0
 23 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-106.37472662,-72.81681101,13.49229423,-179.04303000,207.26374949,204.65236520
242.14750672,-1.99068770,-0.93666921,1.42879168

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445159/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.20255

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-4.19745

>  <SCORE.INTRA.DIHEDRAL>
0.0341284

>  <SCORE.INTRA.DIHEDRAL.0>
6.15763

>  <SCORE.INTRA.POLAR>
-0.620691

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.10417

>  <SCORE.INTRA.VDW.0>
3.93089

>  <SCORE.INTRA.norm>
-0.149909

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.150091

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000157

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  186.7540  218.3014  260.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6722  219.4952  259.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0229  220.5994  260.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4512  220.4968  261.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5327  219.3042  262.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1882  218.2060  261.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6108  221.9060  262.3825 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.3978  221.6509  263.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2730  223.0941  261.8938 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1074  221.7994  261.6288 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.0111  221.3457  260.2646 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8365  220.0005  260.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7918  219.1428  260.9015 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6460  219.6952  258.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4722  218.4254  258.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2536  218.1726  256.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2115  219.0459  255.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0936  216.8645  256.4925 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3150  222.2792  262.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.9894  222.0568  259.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.9468  216.6389  255.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
-166.74517293,-36.19380471,90.82397840,179.52203743,-0.51216899,-179.88899879
184.10029800,220.03392791,260.33758536,-1.08580940,0.56682611,-2.38593421

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445160/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.39258

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-2.00742

>  <SCORE.INTRA.DIHEDRAL>
-0.169686

>  <SCORE.INTRA.DIHEDRAL.0>
2.96178

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.92257

>  <SCORE.INTRA.VDW.0>
-1.15189

>  <SCORE.INTRA.norm>
-0.111523

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.466255

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001562

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  190.4155  228.1681  248.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4906  228.0436  249.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6114  228.9162  249.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5995  228.6791  247.8253 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1621  228.4525  247.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6377  227.4493  247.2261 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.4009  227.3309  245.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9676  227.7124  247.7415 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0933  225.9472  248.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6503  225.5680  249.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1972  224.4066  249.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1869  223.6213  249.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6209  224.0198  248.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0651  225.1939  247.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9841  221.9357  249.8637 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.0470  222.0083  251.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7890  221.4578  249.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3080  220.9659  249.3108 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6766  221.3834  249.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7113  221.5798  248.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3527  222.6110  247.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3854  222.3481  246.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1313  223.2741  245.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8414  224.4726  245.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7988  224.7552  246.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0516  223.8309  247.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0167  219.4946  249.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9104  218.5863  248.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7446  217.5861  249.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5360  217.0032  248.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2343  217.5250  246.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9736  218.6762  246.9996 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
176.26957806,-89.88484879,44.72991469,62.41767754,-127.51925259,162.95293707
58.69414969,-74.68451946,122.46530895,193.42264395,223.49505511,248.22033404
1.80410320,0.75899750,-0.21145437

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445161/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.68223

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-6.71777

>  <SCORE.INTRA.DIHEDRAL>
-0.90393

>  <SCORE.INTRA.DIHEDRAL.0>
6.29186

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.2658

>  <SCORE.INTRA.VDW.0>
-4.14233

>  <SCORE.INTRA.norm>
-0.20993

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.24007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001961

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  221.8556  183.2777  243.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6773  184.2701  243.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4689  185.6075  242.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7518  186.0437  242.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6069  185.0262  242.1825 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.9301  183.9545  242.6201 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.5411  182.6310  242.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4753  182.2750  243.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8563  182.5036  243.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7031  182.2294  244.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1837  181.7035  245.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8232  181.4185  245.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9748  181.6915  244.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2530  187.3953  241.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3227  186.3993  242.9643 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0146  185.9404  243.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6804  184.7586  243.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9885  187.0757  243.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2322  187.9457  244.9794 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.9173  188.3620  244.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5244  188.9185  243.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.8421  189.1058  244.2432 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0354  188.6415  245.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8206  188.1662  245.9430 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5709  187.6701  247.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7696  186.1848  247.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2059  185.2773  246.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3231  188.6721  246.2489 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.0430  187.3408  246.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2053  186.5071  245.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7620  185.2313  245.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1627  184.7660  246.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0202  185.5813  247.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4655  186.8582  247.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1847  189.6152  245.6025 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4402  187.3759  242.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.0085  189.6517  246.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 35  1  6  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <CHROM.1>
-17.39944900,-98.49669506,-95.04391188,-69.29930613,52.35025153,47.53662016
-106.56851971,94.43495056,3.41442682,45.88339451,178.66988812,223.34870348
185.81080412,244.67718060,0.62354006,0.47761493,-2.56790474

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445170/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.2353

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.44

>  <SCORE.INTRA>
-11.1647

>  <SCORE.INTRA.DIHEDRAL>
-6.01107

>  <SCORE.INTRA.DIHEDRAL.0>
18.3296

>  <SCORE.INTRA.POLAR>
-0.451652

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.62355

>  <SCORE.INTRA.VDW.0>
-3.65074

>  <SCORE.INTRA.norm>
-0.318991

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.121009

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000046

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  201.9897  209.3192  241.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1355  208.0052  240.9948 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1684  207.2576  241.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7643  206.0780  242.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6993  205.1789  242.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0635  205.4810  242.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4827  206.6800  241.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5315  207.5763  241.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9247  208.7671  240.8992 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8415  206.8460  241.8672 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4492  207.4195  243.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2380  203.9872  243.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2435  204.2426  244.9734 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5932  204.4400  245.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1294  205.8924  245.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1534  206.9213  246.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9407  206.7454  245.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3259  205.3267  245.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7950  206.8234  247.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9204  207.0653  248.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2284  206.1515  249.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3642  206.3406  250.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1954  207.4425  250.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8835  208.3735  249.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7657  208.1783  248.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5047  209.0558  247.3763 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.8961  208.7463  240.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
118.69476964,-94.72625743,-86.47817904,-175.11320059,-66.58319258,63.88428003
-127.05706469,204.59067075,206.81245361,244.86146440,-1.95782663,0.79991857
1.85565249

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445171/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.88453

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-3.51547

>  <SCORE.INTRA.DIHEDRAL>
0.821335

>  <SCORE.INTRA.DIHEDRAL.0>
9.19104

>  <SCORE.INTRA.POLAR>
-0.0189062

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.86186

>  <SCORE.INTRA.VDW.0>
1.99938

>  <SCORE.INTRA.norm>
-0.135211

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.303251

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  187.0836  212.0957  262.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3300  213.6616  262.0195 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.4678  214.0865  262.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8230  213.5071  262.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0233  213.2550  261.0418 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.9947  213.9330  260.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5660  213.6654  260.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4298  213.5189  259.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0779  213.3521  260.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9654  213.8626  261.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1462  214.7081  262.0307 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.7823  215.8925  262.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2642  216.2595  262.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2779  215.1660  263.2079 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.9892  213.7799  262.9848 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.6860  213.3104  264.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6516  214.1505  265.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0758  215.5527  265.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9824  215.6372  264.5871 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.7044  215.4155  265.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9657  215.0492  262.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0582  211.8410  260.7959 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8182  211.4607  261.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  6  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-62.48372947,185.89530991,214.15357478,262.55806606,-0.49841447,-0.27663189
1.44162339

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445172/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.95897

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.245455

>  <SCORE.INTRA>
-3.44103

>  <SCORE.INTRA.DIHEDRAL>
-5.62082

>  <SCORE.INTRA.DIHEDRAL.0>
5.86984

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.630627

>  <SCORE.INTRA.VDW.0>
0.630295

>  <SCORE.INTRA.norm>
-0.156411

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.0890439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  181.5801  204.9485  256.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2106  203.7902  255.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3169  202.8043  255.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5318  201.6497  256.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8208  201.0099  255.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3357  201.9233  254.7715 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.4743  203.0015  254.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6110  203.9479  253.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5511  201.6507  254.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2143  200.6567  254.4588 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9555  202.5510  253.2239 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1593  202.3616  252.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3919  203.0293  253.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6691  202.6460  254.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1248  201.3493  254.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3513  200.9472  256.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1239  201.8430  257.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6423  203.1245  256.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4183  203.5192  255.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3074  201.3044  258.8536 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.3779  199.8611  258.8822 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3667  202.0969  259.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9089  201.8238  259.5984 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6478  201.6977  259.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4655  201.3131  257.8908 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6345  202.0613  259.8735 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2386  202.0193  259.4303 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.8372  203.3034  258.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7596  204.5075  259.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8831  204.2482  260.8743 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.2367  202.9283  261.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2753  201.7614  260.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9991  205.4101  261.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6566  200.9842  257.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3694  203.3682  253.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.0419  202.0480  260.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.8727  202.6035  260.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 37  1  0  0  0  0
 27 26  1  1  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  1  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
96.75583097,-92.56000966,53.62643643,70.48310808,-13.47805044,43.67840706
-85.31012693,185.75631933,202.37149420,257.12578043,2.78631028,-0.25158795
1.54040077

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445173/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.96006

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-4.43994

>  <SCORE.INTRA.DIHEDRAL>
-0.243121

>  <SCORE.INTRA.DIHEDRAL.0>
6.64172

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.31838

>  <SCORE.INTRA.VDW.0>
-2.89343

>  <SCORE.INTRA.norm>
-0.130586

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.234119

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000569

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  197.9500  213.8594  253.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8648  214.5930  252.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1857  215.3445  251.8244 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5086  215.1248  251.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0092  214.1963  252.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1463  215.8267  250.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3438  215.7823  250.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2316  216.6677  249.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0194  216.4816  249.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8058  217.6974  248.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9372  218.3654  247.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4221  219.3597  246.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7770  219.7041  246.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6412  219.0497  247.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1601  218.0464  248.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4469  220.9246  245.9601 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.2955  220.1227  245.8903 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
173.97848192,-17.12778836,174.36346592,198.70128990,217.64490458,248.91457084
-1.70706423,-0.06600459,-0.82477662

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445174/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.64397

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-3.75603

>  <SCORE.INTRA.DIHEDRAL>
-11.1605

>  <SCORE.INTRA.DIHEDRAL.0>
12.4228

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.82423

>  <SCORE.INTRA.VDW.0>
-1.43176

>  <SCORE.INTRA.norm>
-0.220943

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.273175

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000466

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  210.5249  184.4019  250.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3102  185.5570  251.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8079  186.4991  250.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9685  186.5754  249.8833 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7794  187.2591  249.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1222  188.1689  248.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3429  187.3952  247.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9691  189.1524  248.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <CHROM.1>
-105.54624396,-177.86576091,73.30497312,211.22490040,186.87563665,249.57867704
1.42688269,-0.18396371,2.43548209

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445175/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.48629

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-0.913712

>  <SCORE.INTRA.DIHEDRAL>
-0.751534

>  <SCORE.INTRA.DIHEDRAL.0>
2.95988

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.537945

>  <SCORE.INTRA.VDW.0>
1.16983

>  <SCORE.INTRA.norm>
-0.114214

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.935786

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.089800

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  202.9664  202.6562  246.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3370  202.4070  246.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7958  201.1722  246.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8737  200.1895  247.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4995  200.4358  247.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0491  201.6741  246.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4566  198.6446  247.7955 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.7250  198.3392  247.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3633  198.7609  249.2407 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3391  197.3546  247.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9495  196.3743  248.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1105  195.3371  247.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6692  195.2858  246.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0634  196.2617  245.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9054  197.3013  245.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6393  194.0039  245.9678 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-32.62037388,-137.09331807,203.09019668,198.13380952,246.97351204,1.10260455
-0.60417342,-0.19299508

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445176/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.17329

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.226714

>  <SCORE.INTRA.DIHEDRAL>
-0.177815

>  <SCORE.INTRA.DIHEDRAL.0>
2.41364

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.137807

>  <SCORE.INTRA.VDW.0>
-1.43561

>  <SCORE.INTRA.norm>
-0.0141696

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.44833

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 52 58  0  0  0  0  0  0  0  0999 V2000
  208.0995  207.6546  255.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2242  206.3636  254.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6078  205.1438  254.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1160  204.2836  253.6987 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9485  205.0164  252.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0464  206.2602  253.2968 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8661  202.8482  253.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5112  202.5948  252.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2353  203.2324  251.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2492  204.7125  251.3588 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7794  205.2620  250.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8688  206.7628  249.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7137  207.4829  250.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7405  208.8806  250.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9215  209.5822  249.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0676  208.8858  249.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0378  207.4864  249.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2383  205.3792  252.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5650  206.2644  252.8863 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7196  205.2035  251.7197 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.4830  205.2459  250.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1256  204.8429  249.6794 N   0  0  2  0  0  0  0  0  0  0  0  0
  201.0590  205.3806  250.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3225  205.3748  252.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6344  205.9462  252.3903 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6040  207.3258  252.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3040  207.8646  253.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9189  208.0250  251.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0231  209.4496  251.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3056  209.7548  252.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6808  211.2389  252.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6590  211.8375  251.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3343  211.5825  250.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0185  210.1010  250.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0028  203.4104  249.2405 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.7897  203.0545  248.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2165  201.7572  248.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6899  200.5269  248.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2061  200.2431  248.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0522  201.2243  249.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3907  202.3343  250.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1085  202.3756  251.5771 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7708  201.4913  252.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8105  200.7006  251.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0328  200.6463  250.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7742  199.5486  253.0579 Br  0  0  0  0  0  0  0  0  0  0  0  0
  199.1134  201.5380  247.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6782  202.5277  246.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3177  203.7503  246.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3469  204.0201  247.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3843  202.1971  245.4056 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.6129  204.7698  255.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 52  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  6  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 41  1  1  0  0  0
 35 36  1  0  0  0  0
 36 50  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 47  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 45  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 48 51  1  0  0  0  0
 49 50  2  0  0  0  0
M  END
>  <CHROM.1>
77.78765538,57.48302093,-61.38277166,144.84497677,-177.86506843,125.66066216
62.68906319,-43.16673495,-161.43240040,-134.57020841,-173.68828010,72.75972451
203.95878506,204.67931355,251.07395818,-0.62676294,0.66850173,3.01489265

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445177/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.93488

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.334615

>  <SCORE.INTRA>
-11.4651

>  <SCORE.INTRA.DIHEDRAL>
-6.32727

>  <SCORE.INTRA.DIHEDRAL.0>
14.6015

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.30149

>  <SCORE.INTRA.VDW.0>
-5.05334

>  <SCORE.INTRA.norm>
-0.220483

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.114132

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010295

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  199.5416  208.6380  242.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2481  209.2585  241.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0993  208.3491  242.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6928  208.8453  241.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4561  210.2857  242.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5052  211.2837  241.7508 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.9259  210.7046  242.1916 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.1014  211.6556  241.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8129  213.0771  242.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5837  213.6120  242.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3027  212.7676  242.3497 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1004  213.5226  241.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1187  215.0401  241.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4612  215.6378  241.3631 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4974  215.1314  242.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8640  215.1854  239.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2983  217.1456  241.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9456  218.0946  241.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2142  211.3148  240.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5014  209.2294  240.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  6  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
117.62443612,197.06610612,212.40417911,241.67652183,-1.40308947,-0.07498485
-0.00899296

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445186/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33302

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.0669844

>  <SCORE.INTRA.DIHEDRAL>
-0.134956

>  <SCORE.INTRA.DIHEDRAL.0>
0.138972

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000493557

>  <SCORE.INTRA.VDW.0>
0.455496

>  <SCORE.INTRA.norm>
-0.00334922

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.316651

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007470

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  223.3935  191.4976  245.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7792  190.1217  245.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8366  189.2700  244.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5458  189.5897  242.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2121  187.8675  244.1724 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.1284  187.5867  243.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8881  188.5015  243.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0466  188.4617  244.5368 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.0125  189.5857  244.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4714  187.0308  245.0095 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.6292  186.0946  245.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8684  186.3792  246.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5272  186.9216  247.4807 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.5457  186.8190  246.2650 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2774  187.6655  246.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0101  188.3136  247.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2265  189.1019  248.0731 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.4079  188.1762  248.4251 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.6671  188.9701  248.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4319  190.4417  249.2872 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.0430  190.7346  249.8644 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.8213  190.0362  249.2322 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.0021  191.2388  248.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1528  192.3197  249.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5975  192.1752  250.1201 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.0152  191.3260  251.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9399  189.2863  250.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7085  191.3673  248.2236 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1031  191.5300  247.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9811  185.3443  246.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2920  186.7653  244.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1828  186.8926  245.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.6293  187.7519  245.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  6  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  6  0  0  0
 21 25  1  0  0  0  0
 21 26  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  1  0  0  0
 23 24  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
121.58471566,-64.18232584,62.29359486,-61.35711548,172.14840107,65.85272236
-73.47758052,-61.88526981,219.35643353,188.98384951,246.75857250,-0.69279120
0.47977401,0.67517138

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445187/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.88295

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-6.51705

>  <SCORE.INTRA.DIHEDRAL>
-3.35135

>  <SCORE.INTRA.DIHEDRAL.0>
5.87245

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.84137

>  <SCORE.INTRA.VDW.0>
3.3277

>  <SCORE.INTRA.norm>
-0.203658

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.183842

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012733

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 37  0  0  0  0  0  0  0  0999 V2000
  201.7168  192.6620  241.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2179  192.3437  242.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5577  192.5478  243.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8966  193.1761  244.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2344  193.4064  244.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2377  192.9834  243.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9017  192.3995  242.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5604  192.1557  242.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5158  193.2304  244.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5225  192.3715  243.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3677  191.0058  243.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4505  190.2358  243.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7071  190.8218  243.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8583  192.1886  243.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7770  192.9565  243.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8528  190.1281  242.5218 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1527  190.4997  242.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4656  191.4649  243.6241 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2426  189.5598  242.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8568  188.3390  241.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5693  187.9899  241.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2606  186.7047  241.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2768  185.7753  240.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5718  186.2152  241.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8181  187.4163  241.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1551  187.6076  242.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8879  186.3572  241.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8753  185.6393  240.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6080  188.8261  242.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6157  189.8045  242.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5705  189.0440  241.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5919  188.9311  240.9375 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 30  1  0  0  0  0
 19 20  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
135.88486296,148.80464843,-30.54802994,-151.57211731,210.39455323,190.19502184
242.58253375,2.69010765,-0.13050432,0.54242119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445188/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.87541

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-0.524591

>  <SCORE.INTRA.DIHEDRAL>
-0.475078

>  <SCORE.INTRA.DIHEDRAL.0>
8.21567

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.287052

>  <SCORE.INTRA.VDW.0>
2.08572

>  <SCORE.INTRA.norm>
-0.0163935

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.277357

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002856

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  189.3232  211.7321  250.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1996  213.0320  250.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3314  213.3107  251.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5374  212.2958  252.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6822  210.9743  251.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5882  210.7256  250.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9294  209.9431  252.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0809  210.1949  253.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9142  211.5101  253.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6176  212.5583  253.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4325  213.9240  253.7205 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1163  214.2862  254.5586 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0356  214.9148  254.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1798  215.6370  255.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0828  216.9813  256.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3324  217.3225  257.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1807  218.6002  257.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0944  219.7969  257.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3774  219.2799  256.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4067  218.5761  256.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7078  217.6761  255.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8470  216.4120  254.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4526  214.2794  256.5509 S   0  0  0  0  0  0  0  0  0  0  0  0
  183.1084  213.7440  257.8371 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0600  214.1774  256.8082 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.7271  213.4964  255.3630 O   0  5  0  0  0  0  0  0  0  0  0  0
  185.0319  211.7689  254.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5935  212.5962  254.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  1  26  -1
M  END
>  <CHROM.1>
-149.00568442,160.79640432,177.36488364,80.53232212,185.02145656,214.30046108
254.67342823,-0.81277848,0.67233236,0.23030869

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445189/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-12.8771

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-21.2771

>  <SCORE.INTRA.DIHEDRAL>
-1.20806

>  <SCORE.INTRA.DIHEDRAL.0>
3.67787

>  <SCORE.INTRA.POLAR>
-1.64987

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-15.0635

>  <SCORE.INTRA.VDW.0>
14.2721

>  <SCORE.INTRA.norm>
-0.78804

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
-0.476929

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000813

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  208.4661  174.3810  250.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4751  175.3566  251.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7331  176.7460  251.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8239  177.6974  251.6078 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0166  178.9751  251.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1927  179.2926  249.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3582  180.6042  249.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3472  181.6235  250.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1799  181.3306  251.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0171  179.9970  252.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4120  182.9858  249.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5259  183.0799  248.5883 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4039  184.0305  250.7088 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4739  185.3848  250.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9607  186.3637  251.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1167  187.6801  250.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8283  188.0050  249.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3603  187.0331  248.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1067  185.7552  249.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1940  187.3924  247.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6979  186.6140  246.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6955  187.3973  245.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1551  188.6718  245.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4786  188.6855  246.7512 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2645  189.6860  244.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9858  189.2962  243.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5905  187.9784  242.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3526  187.0510  243.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5635  187.4118  241.4178 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4743  188.0443  240.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9500  187.4805  240.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0174  186.6237  241.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4457  185.9661  252.7970 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.6011  183.8377  251.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 28  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-179.91273905,-179.98648395,46.22117911,-3.00271441,-155.83205569,-176.06372852
-69.04252638,64.24119617,207.38519834,184.36918957,248.09541298,1.16889503
1.47468936,2.85185932

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445190/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.0909

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-2.30914

>  <SCORE.INTRA.DIHEDRAL>
-0.881394

>  <SCORE.INTRA.DIHEDRAL.0>
5.41546

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.098439

>  <SCORE.INTRA.REPUL.0>
0.117246

>  <SCORE.INTRA.VDW>
-1.37624

>  <SCORE.INTRA.VDW.0>
2.34495

>  <SCORE.INTRA.norm>
-0.0699738

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.336087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000146

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  211.4279  182.6113  249.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3178  184.0807  249.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4165  184.8440  249.5586 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3669  186.1994  249.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3405  186.9823  249.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2278  188.3440  249.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1495  188.9482  248.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1892  188.1969  248.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3005  186.8386  248.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1577  188.8140  247.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0503  190.0657  246.8963 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9541  190.5880  246.0352 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8560  191.9351  245.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9903  192.6908  246.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9073  192.4664  244.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8774  193.8198  244.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8645  194.3233  243.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8405  193.4609  243.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7901  192.1238  243.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8497  191.5948  244.3616 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3260  186.4220  250.6897 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7933  185.7389  251.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9634  185.6728  252.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7000  185.1576  252.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0720  184.5084  253.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1142  183.9450  254.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7661  184.0228  254.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3831  184.6709  253.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3414  185.2406  252.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7109  190.0405  245.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-178.75663495,66.03146587,57.30471197,1.17685363,-178.74049138,-179.09356979
5.23928981,-176.80958856,212.67083476,188.04540613,248.74814343,-2.41471533
0.82455620,-0.09207088

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445191/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.85011

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-3.54989

>  <SCORE.INTRA.DIHEDRAL>
-0.384089

>  <SCORE.INTRA.DIHEDRAL.0>
7.7394

>  <SCORE.INTRA.POLAR>
-0.000568273

>  <SCORE.INTRA.POLAR.0>
-0.03928

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.35591

>  <SCORE.INTRA.VDW.0>
1.74612

>  <SCORE.INTRA.norm>
-0.12241

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.339659

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  200.8460  201.3749  250.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0932  200.0786  251.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5518  199.6370  251.5673 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5337  200.5743  252.3548 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9403  201.0201  253.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5912  202.3676  253.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0230  202.7589  255.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7999  201.8301  256.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1553  200.5035  255.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7249  200.0976  254.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2322  202.2235  257.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6636  204.0525  255.3494 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7690  199.9058  252.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5870  198.2067  252.0904 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.5203  198.0346  252.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9249  198.1215  252.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3030  197.1237  251.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0787  203.1791  257.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8665  204.5942  254.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3882  200.4806  253.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
62.35123230,48.06100705,-160.96385308,-112.17897486,179.20234808,0.40033874
-0.22688567,202.32329179,200.77982700,253.58113906,1.27782655,1.10869963
-1.99212650

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445192/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.22538

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-5.17462

>  <SCORE.INTRA.DIHEDRAL>
-4.88293

>  <SCORE.INTRA.DIHEDRAL.0>
7.1957

>  <SCORE.INTRA.POLAR>
-0.225508

>  <SCORE.INTRA.POLAR.0>
-0.340284

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.96643

>  <SCORE.INTRA.VDW.0>
1.01489

>  <SCORE.INTRA.norm>
-0.344975

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.281692

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002578

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  227.7732  194.3052  250.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9556  193.1825  251.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9341  193.4066  252.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1143  192.3415  253.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3138  191.0931  253.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3463  190.7939  251.7832 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.1665  191.7703  250.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1707  191.5181  249.5392 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.3681  190.2343  249.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5785  189.2097  249.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5515  189.4797  251.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7061  188.5467  252.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.7932  187.8435  249.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8899  187.5393  248.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8113  188.6835  247.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1499  188.5302  245.9598 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.3978  189.9455  247.6813 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.2334  191.0411  246.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1468  192.2379  246.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.4454  192.0583  247.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.1758  193.1471  247.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.6366  194.4314  247.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3895  194.6354  247.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6517  193.5461  246.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.0686  185.8959  247.6620 S   0  0  0  0  0  0  0  0  0  0  0  0
  229.6518  185.8564  246.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.6640  185.1110  248.7299 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.3868  185.3178  247.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4015  186.1830  246.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0813  185.7408  246.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7535  184.4321  247.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7476  183.5543  247.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0676  183.9942  247.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5225  187.5845  245.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-158.27754263,51.02582424,33.87796606,36.31143097,228.39826429,189.37273440
248.79221571,1.00665213,1.23892629,0.84885359

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445193/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.75612

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-0.643882

>  <SCORE.INTRA.DIHEDRAL>
0.52482

>  <SCORE.INTRA.DIHEDRAL.0>
4.66005

>  <SCORE.INTRA.POLAR>
-0.0424479

>  <SCORE.INTRA.POLAR.0>
-0.497286

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.761969

>  <SCORE.INTRA.VDW.0>
-3.31955

>  <SCORE.INTRA.norm>
-0.0195116

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.265337

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000182

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 31  0  0  0  0  0  0  0  0999 V2000
  200.4598  221.7090  253.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1339  222.3440  253.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3099  221.2493  254.3133 N   0  0  1  0  0  0  0  0  0  0  0  0
  197.0106  221.0961  253.6305 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7041  219.6352  253.7414 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0564  219.0418  253.3773 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0500  219.9598  253.9670 N   0  0  1  0  0  0  0  0  0  0  0  0
  200.0512  220.3215  252.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0265  217.6430  253.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9457  216.8653  254.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6953  217.4315  254.3053 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3579  218.6813  254.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9774  218.9254  255.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8553  217.0207  253.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3526  216.0944  252.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4856  215.4301  251.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1149  215.6809  251.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6075  216.6215  252.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4710  217.3091  253.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8803  222.0991  253.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3867  222.5502  254.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2595  223.3559  255.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5554  223.6906  253.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0017  223.2606  252.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1657  222.4829  252.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1013  224.5905  254.0539 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.0439  222.0444  256.4555 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  1  0  0  0
  5 12  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  1  0  0  0
  7  8  1  6  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-53.89405742,41.23295586,196.14630570,220.24946492,253.85932066,-1.17188385
-0.15444157,0.26548951

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445194/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32622

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.274074

>  <SCORE.INTRA>
-0.0737752

>  <SCORE.INTRA.DIHEDRAL>
0.419492

>  <SCORE.INTRA.DIHEDRAL.0>
1.00343

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.283521

>  <SCORE.INTRA.VDW.0>
-2.31302

>  <SCORE.INTRA.norm>
-0.00273242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.271342

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000133

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  202.3468  187.0628  240.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4234  187.8022  240.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4775  188.3940  240.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4593  189.1609  240.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5111  189.8162  240.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4056  190.6497  240.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5100  191.3259  240.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3027  192.1873  239.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0416  192.3679  238.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0036  191.6659  237.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1932  190.8081  238.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1971  190.1385  238.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3435  189.3315  238.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3211  188.6952  237.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3644  187.9330  238.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6454  189.6238  242.1827 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4795  188.3736  242.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7628  187.1539  242.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5517  185.9354  242.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0775  185.9243  244.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8161  187.1302  244.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9993  188.3370  244.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7859  184.6990  244.8673 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1275  184.1431  245.0160 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.1957  182.7614  245.6825 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5594  185.0122  246.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0879  184.2311  243.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2218  187.1901  240.9334 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3372  186.1130  240.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0010  190.4157  242.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3228  184.5120  245.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
41.07993454,28.90988392,-168.62619322,-101.19601735,176.44821700,205.75742287
187.76500752,241.66242415,1.97300566,0.59668693,2.15373902

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445195/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.7821

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-0.617902

>  <SCORE.INTRA.DIHEDRAL>
1.80823

>  <SCORE.INTRA.DIHEDRAL.0>
7.73457

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.52202

>  <SCORE.INTRA.VDW.0>
-1.34174

>  <SCORE.INTRA.norm>
-0.021307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.337314

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000533

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  192.2373  212.3971  257.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3175  211.3659  257.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9872  210.7432  258.4891 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5887  209.4576  258.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0026  211.7097  258.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5612  211.5333  260.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4684  211.6318  261.5237 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.7705  212.9806  261.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1916  214.0995  261.4076 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4002  210.4765  261.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8530  209.1407  261.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0790  208.0527  261.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8647  208.2604  260.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3402  209.5485  260.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1337  209.7354  259.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5403  210.9914  259.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0684  212.0209  260.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2499  211.8152  261.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0311  210.6452  260.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1477  211.7250  263.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1403  211.7727  264.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3039  210.7884  263.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  3  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
157.99179251,162.16206521,-60.65078972,-58.83248603,64.05065496,-177.85907097
193.15740260,210.96792678,260.51862586,-2.38732599,0.19657642,1.53823667

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445196/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09029

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-5.30971

>  <SCORE.INTRA.DIHEDRAL>
1.2071

>  <SCORE.INTRA.DIHEDRAL.0>
1.27337

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.91326

>  <SCORE.INTRA.VDW.0>
3.00491

>  <SCORE.INTRA.norm>
-0.241351

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.276831

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002267

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  198.2237  199.7818  248.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9563  200.8368  247.8233 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.4123  201.1126  248.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1738  202.0031  247.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6664  202.2133  245.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3863  201.5172  245.5379 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9836  200.4044  246.4244 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1846  202.4425  245.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3994  203.0457  245.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6902  203.5693  245.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1679  203.3040  246.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4173  202.5504  247.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4381  204.4412  244.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8103  205.5288  243.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1884  206.5277  244.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7883  207.7674  244.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7329  208.0354  243.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9067  207.1235  242.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3197  205.8175  242.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6849  204.6836  241.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5689  203.8311  242.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6744  204.0412  243.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9745  204.8928  243.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8781  203.9867  240.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9179  204.7734  240.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9179  207.4925  241.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5803  207.3607  240.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8156  203.4468  243.8899 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0670  200.0529  246.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4983  203.4444  243.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  7 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-143.12116303,49.05266851,-135.28214433,32.22111978,202.17200092,204.00170491
244.34249632,2.28452037,0.65002193,1.86701672

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445197/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.23976

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-1.16024

>  <SCORE.INTRA.DIHEDRAL>
-1.42577

>  <SCORE.INTRA.DIHEDRAL.0>
10.5369

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.447356

>  <SCORE.INTRA.VDW.0>
-1.09913

>  <SCORE.INTRA.norm>
-0.0414372

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.258563

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000424

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  196.2599  224.5547  252.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0644  225.4515  252.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8372  224.7424  252.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7197  225.5031  252.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7366  226.6940  251.7323 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5067  224.7162  252.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4971  224.6782  251.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1469  223.7706  251.7306 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.9162  223.2836  253.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1534  223.8727  253.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8748  223.7263  254.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9608  224.5884  254.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6836  224.5332  256.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3057  223.6440  257.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2272  222.7893  256.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5257  222.8077  255.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2720  221.6258  255.4771 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.3580  225.2117  249.9996 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1617  226.2546  249.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2177  226.1286  248.9404 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5255  227.6300  249.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2766  227.8650  251.2277 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8573  229.2446  251.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4382  229.3941  252.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6245  229.2170  253.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2929  227.9052  253.8397 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4315  226.8434  254.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3056  226.9169  255.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5903  226.8844  256.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4394  227.9297  256.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5848  227.8601  254.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9885  224.5896  249.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1472  227.6728  251.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
178.77982705,2.42727631,-127.06906334,-18.06137036,7.38766603,92.79070944
60.49736236,171.45213637,172.69471097,66.65617675,-60.30264276,-71.20762758
191.52701265,225.48816744,253.29678258,0.62182002,1.38117090,-3.07301116

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445198/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.134195

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56129

>  <SCORE.INTRA>
-17.2658

>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
28.5778

>  <SCORE.INTRA.POLAR>
-1.34042

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.608

>  <SCORE.INTRA.VDW.0>
-3.65688

>  <SCORE.INTRA.norm>
-0.556961

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.00432889

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001376

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  208.2666  186.4737  251.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0260  185.6755  250.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9473  184.3496  250.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9332  184.1627  249.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5888  185.3185  249.3156 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0178  186.2048  250.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2467  182.9083  248.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6428  181.8629  249.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2714  183.0683  247.9296 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6804  182.0326  247.1485 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6404  182.1809  246.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4090  183.4653  246.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0138  180.9860  245.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0196  181.0480  244.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3070  179.9435  243.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6016  178.7549  243.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6098  178.6744  244.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3157  179.7826  245.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2843  180.1642  242.7139 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0968  179.0533  242.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3551  187.1624  250.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6598  184.0020  247.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
0.45720274,179.93738244,179.07349988,148.51673636,211.86299742,182.33620097
247.02898617,-2.29901788,-0.72059835,-2.77976979

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445199/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.28853

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-0.111472

>  <SCORE.INTRA.DIHEDRAL>
1.3206

>  <SCORE.INTRA.DIHEDRAL.0>
0.0206054

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.771757

>  <SCORE.INTRA.VDW.0>
2.72202

>  <SCORE.INTRA.norm>
-0.0055736

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.464426

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000027

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  199.0488  221.7817  268.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1742  220.7579  267.4798 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0132  219.5099  268.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2100  218.3764  267.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8807  218.1782  268.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1434  217.0957  267.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7268  216.1970  266.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0441  216.3862  266.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7849  217.4689  266.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8770  221.3473  267.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1352  220.7848  266.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5060  219.8882  265.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7730  221.4055  266.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-177.90763251,159.02423417,-102.07112209,-4.19881478,196.80114073,219.26816129
267.13387109,-1.28124624,0.49009087,3.05159662

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445200/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.34697

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-1.05303

>  <SCORE.INTRA.DIHEDRAL>
0.0899898

>  <SCORE.INTRA.DIHEDRAL.0>
2.697

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09803

>  <SCORE.INTRA.VDW.0>
-0.524432

>  <SCORE.INTRA.norm>
-0.0810027

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.642074

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.106023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  191.0862  223.2262  252.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4622  222.6577  252.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1963  221.1850  253.0919 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.8981  221.2328  253.7803 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1472  222.4080  253.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1880  220.1735  254.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6401  219.3361  253.5904 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1118  220.1256  255.6708 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3411  218.8661  256.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7300  219.0742  257.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5038  218.0645  258.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8322  218.2613  260.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3922  219.4699  260.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6300  220.4778  259.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3033  220.2814  258.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3960  220.6739  253.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5047  220.5305  253.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1690  220.4998  255.2407 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2209  219.9930  256.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8553  218.7367  256.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1433  218.6081  258.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8907  217.4082  258.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3424  216.3261  258.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0365  216.4476  256.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2948  217.6462  256.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0053  217.7395  254.8464 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.3830  220.6757  256.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2347  220.6530  255.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-69.12522913,-70.54596591,-134.62138285,158.55648548,155.50179943,-122.23312978
-134.04182575,192.04561537,219.61408107,256.00427077,1.69047039,0.47831428
-1.06573153

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445201/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.805

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-8.595

>  <SCORE.INTRA.DIHEDRAL>
0.7645

>  <SCORE.INTRA.DIHEDRAL.0>
5.53686

>  <SCORE.INTRA.POLAR>
-1.04506

>  <SCORE.INTRA.POLAR.0>
-0.0305203

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.42403

>  <SCORE.INTRA.VDW.0>
-2.26979

>  <SCORE.INTRA.norm>
-0.330577

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.146346

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001230

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  202.5904  224.6163  250.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1853  224.2520  249.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2445  223.8003  248.4013 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0507  223.4301  247.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9801  223.5197  246.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8008  223.1885  245.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6978  222.7377  246.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7566  222.6602  247.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9400  222.9781  248.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5382  222.4317  245.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4256  221.8004  246.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3375  221.4420  247.5147 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3801  221.6193  245.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7512  220.2181  244.2428 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.98378682,154.74559479,171.24074249,-0.91022323,79.43520349,197.85566012
222.50976173,246.91211354,0.56727279,0.38510641,1.43661451

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445218/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.51019

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-1.88981

>  <SCORE.INTRA.DIHEDRAL>
-3.90734

>  <SCORE.INTRA.DIHEDRAL.0>
6.25494

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0638625

>  <SCORE.INTRA.VDW.0>
0.655084

>  <SCORE.INTRA.norm>
-0.134986

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.607871

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000576

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  203.6017  206.3380  244.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5778  205.2514  245.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5972  205.8119  246.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7863  205.9382  246.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0589  206.1712  247.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3058  206.2459  245.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2297  205.9467  245.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4530  206.5346  246.9723 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0888  206.0661  247.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6234  206.4796  247.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-100.53777537,-112.96361306,-112.24540109,-3.46982101,-179.89289580,203.92797198
206.04179217,246.03918070,-2.99802286,-0.10440293,1.34069520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445219/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.83106

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-3.56894

>  <SCORE.INTRA.DIHEDRAL>
4.17073

>  <SCORE.INTRA.DIHEDRAL.0>
2.19202

>  <SCORE.INTRA.POLAR>
-0.999431

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.25624

>  <SCORE.INTRA.VDW.0>
2.65702

>  <SCORE.INTRA.norm>
-0.446117

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.603883

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012484

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  192.0778  217.3320  258.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2090  216.6336  259.3519 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4487  217.3366  260.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1915  218.5576  260.6011 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5174  219.6192  260.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2554  220.0549  260.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6067  221.1282  259.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2106  221.7921  258.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4647  221.3827  258.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1369  220.2990  258.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4887  219.9099  258.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6566  218.4720  257.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0259  218.0724  256.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1666  216.7706  256.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9373  215.8446  256.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5531  216.2182  258.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4129  217.5205  258.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9924  215.0786  259.4439 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.7141  214.6996  260.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9307  214.4769  258.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1715  214.4054  260.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-77.82596116,-61.48607312,71.70720358,51.82974368,54.84891840,73.18134922
193.87716705,217.79633063,258.92075919,1.35704277,-0.62704994,3.11637379

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445220/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.51919

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-1.88081

>  <SCORE.INTRA.DIHEDRAL>
4.45686

>  <SCORE.INTRA.DIHEDRAL.0>
1.78733

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.10924

>  <SCORE.INTRA.VDW.0>
4.09037

>  <SCORE.INTRA.norm>
-0.0895626

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.453295

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003852

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  225.4672  184.0533  237.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3765  183.2932  238.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9655  182.1219  237.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9335  181.3122  238.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2765  181.6569  239.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6575  182.8142  240.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6987  183.6480  239.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8686  184.7146  240.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3761  185.9500  239.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4563  186.5726  238.8714 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.0689  186.8728  239.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2395  185.7116  239.8888 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2786  186.0424  240.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5441  185.1615  238.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1932  188.0740  238.2184 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
28.50137002,61.72702487,61.76008566,-68.02857166,155.55320671,223.11297421
184.93025932,239.09590221,-1.55003948,0.45113042,0.03966847

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445221/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.08933

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-1.31067

>  <SCORE.INTRA.DIHEDRAL>
1.86712

>  <SCORE.INTRA.DIHEDRAL.0>
0.232737

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.24423

>  <SCORE.INTRA.VDW.0>
0.470302

>  <SCORE.INTRA.norm>
-0.087378

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.605955

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000850

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  211.5722  191.1689  249.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4113  191.2830  251.0052 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.2038  192.1698  251.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1741  189.8877  251.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7037  191.9000  251.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6943  192.0803  253.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9979  192.6943  253.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0052  192.8826  255.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2784  193.4807  255.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6066  194.6876  256.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0064  194.6534  256.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4363  193.4314  255.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3892  192.7083  255.4094 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
179.92823414,179.88056828,179.96237885,-179.80423910,114.09640010,213.72348864
192.47938287,253.45087678,-2.34413670,-0.28702773,0.82511996

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445222/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.32524

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-1.07476

>  <SCORE.INTRA.DIHEDRAL>
-1.23511

>  <SCORE.INTRA.DIHEDRAL.0>
1.3094

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.457209

>  <SCORE.INTRA.VDW.0>
1.52593

>  <SCORE.INTRA.norm>
-0.0826741

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.717326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008190

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  157.8866  198.5879  275.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
  156.8040  197.6653  275.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
  155.5447  198.2066  275.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
  155.0901  198.9787  276.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  153.7672  199.4182  277.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  152.8922  199.0888  275.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
  153.3442  198.3399  274.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.6813  197.9214  274.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
  155.1057  197.1253  273.7217 N   0  0  0  0  0  0  0  0  0  0  0  0
  154.8967  197.5122  272.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.6220  198.6045  271.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
  155.0358  196.2228  271.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.7321  195.9841  270.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.2264  196.9439  269.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
  153.3182  197.9415  269.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
  152.7909  198.7938  268.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
  153.1637  198.6653  267.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.0785  197.6805  267.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
  154.6082  196.8220  268.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
  151.6488  200.0011  269.2630 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  155.4637  195.2371  272.5262 N   0  0  0  0  0  0  0  0  0  0  0  0
  155.4749  195.8112  273.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
  156.1033  194.9607  275.0689 S   0  0  0  0  0  0  0  0  0  0  0  0
  156.5431  196.0197  275.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-64.56789105,-132.13974471,-37.21432651,-22.86894235,154.51808552,197.68263548
272.52907596,-1.02224165,0.89448646,-1.89169527

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445223/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.39199

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-5.00801

>  <SCORE.INTRA.DIHEDRAL>
-2.69575

>  <SCORE.INTRA.DIHEDRAL.0>
20.949

>  <SCORE.INTRA.POLAR>
-0.989841

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.294681

>  <SCORE.INTRA.VDW.0>
-0.677066

>  <SCORE.INTRA.norm>
-0.21774

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.190956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000346

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  199.6379  215.4345  257.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9671  214.0223  257.4664 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2518  213.6610  258.0652 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.4624  214.3240  257.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3909  214.5134  255.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0398  214.2872  255.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9512  213.6162  256.0611 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9596  212.0861  255.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8155  211.3293  256.9801 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3769  212.1364  258.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9392  210.3232  257.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5014  209.2723  256.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9014  209.0421  255.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5544  208.3461  257.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4314  209.1462  258.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9947  210.4140  257.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0805  211.1869  258.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5292  210.6975  259.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8725  209.4173  260.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8027  208.6492  259.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9955  207.2010  256.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8549  206.2115  256.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4059  205.2837  255.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0760  205.2863  254.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1886  206.1979  255.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6442  207.1547  256.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6577  207.5633  258.9334 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 14 27  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
68.69502005,6.63047802,49.11802899,24.18332973,65.82851205,199.00515669,210.18368194
257.30669750,0.96220057,0.68870460,0.40717798

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445224/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.67818

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-3.72182

>  <SCORE.INTRA.DIHEDRAL>
-6.73275

>  <SCORE.INTRA.DIHEDRAL.0>
9.59029

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.355447

>  <SCORE.INTRA.VDW.0>
-2.68233

>  <SCORE.INTRA.norm>
-0.137845

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.24734

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009772

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  224.7400  185.7388  244.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6592  186.6186  245.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5249  186.6864  246.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5219  187.4642  247.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6165  188.1981  246.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7902  188.1694  244.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7914  187.3891  244.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8916  187.4176  242.6527 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.4976  188.9967  247.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6961  190.4993  246.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0911  188.5820  246.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4131  187.5095  248.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1054  186.9540  248.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
0.26196330,113.68389905,222.24827436,187.74480342,245.56716506,-0.77141668
-0.66625313,1.61658835

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445225/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95682

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.443184

>  <SCORE.INTRA.DIHEDRAL>
-0.00578082

>  <SCORE.INTRA.DIHEDRAL.0>
0.727765

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.440294

>  <SCORE.INTRA.VDW.0>
0.719741

>  <SCORE.INTRA.norm>
-0.036932

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.496401

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000958

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  218.7391  176.9160  237.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3433  177.6472  239.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8213  177.5631  239.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0616  177.1254  240.3385 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.6716  177.8612  241.5393 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9009  178.4522  242.0752 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.9932  178.1476  241.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4770  177.1407  240.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2592  177.9819  243.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5108  178.9313  244.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9429  178.5377  245.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1199  177.1871  246.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8525  176.2315  245.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4215  176.6230  243.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3011  177.1993  242.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  1  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
179.14674080,-127.41582099,219.75230182,177.58166457,242.01200970,-1.95923977
-0.27228767,1.41641789

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445226/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24839

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.151612

>  <SCORE.INTRA.DIHEDRAL>
-0.0310688

>  <SCORE.INTRA.DIHEDRAL.0>
0.846519

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.136078

>  <SCORE.INTRA.VDW.0>
-0.646037

>  <SCORE.INTRA.norm>
-0.0108294

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.517742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029670

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  209.6015  186.9932  237.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1244  187.7798  238.5852 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9707  188.1623  239.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5403  188.1186  240.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9281  187.8282  240.7300 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1373  187.0363  239.5157 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.4693  187.1369  238.8892 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3833  188.3987  238.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0635  188.8722  238.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8084  190.1688  237.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8987  191.0040  237.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2158  190.5083  237.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4625  189.1926  237.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5721  192.3126  237.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7430  193.1223  236.8232 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2599  194.4954  236.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9279  186.0610  238.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8228  187.6951  241.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9545  192.8053  235.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 18  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
-178.81463202,-169.37902349,211.49849877,189.19830800,238.50228498,1.83537462
-0.54495082,2.82422747

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445227/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.03045

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.369554

>  <SCORE.INTRA.DIHEDRAL>
-0.688014

>  <SCORE.INTRA.DIHEDRAL.0>
0.797319

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.025547

>  <SCORE.INTRA.VDW.0>
-0.0634141

>  <SCORE.INTRA.norm>
-0.0205308

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.39058

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002073

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  226.5604  186.4352  245.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8282  185.7689  243.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6500  185.0580  244.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9613  184.4273  243.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4393  184.4965  241.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6077  185.2080  241.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2996  185.8423  242.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8046  183.8964  240.7334 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6041  183.2462  240.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0300  183.1031  242.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7034  183.7120  243.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2051  183.6692  244.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7517  182.5529  242.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6540  181.2361  242.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5543  180.4991  241.6514 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2137  180.8608  242.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2465  181.7680  242.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8951  181.4170  242.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5124  180.1610  242.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4623  179.2397  241.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8194  179.5847  241.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2156  179.8321  242.0472 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.9898  182.7133  239.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6521  183.0089  239.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0482  182.4785  238.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7820  181.6544  237.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1159  181.3600  237.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7200  181.8884  238.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0347  180.9903  236.0597 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-128.54802148,65.25299721,4.44160897,-5.83924314,221.38656211,182.50739314
241.19182507,0.44913789,0.51826123,1.37789248

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445228/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.51986

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-3.88014

>  <SCORE.INTRA.DIHEDRAL>
-8.27379

>  <SCORE.INTRA.DIHEDRAL.0>
15.3559

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.256749

>  <SCORE.INTRA.VDW.0>
-2.11572

>  <SCORE.INTRA.norm>
-0.133798

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.19034

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000077

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  222.2751  184.5878  247.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3036  183.8537  249.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1288  184.5595  250.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0546  184.3356  251.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9208  185.0402  252.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8962  185.9708  252.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9966  186.1524  251.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0981  185.4575  250.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0742  185.7674  249.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4157  186.8289  250.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9371  187.0130  251.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7116  186.7392  253.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6691  187.2752  254.2328 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8948  186.8214  254.5627 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8287  187.5703  255.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8134  184.7463  253.5533 N   0  3  0  0  0  0  0  0  0  0  0  0
  224.9841  185.1334  253.4538 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3256  184.1364  254.5138 O   0  5  0  0  0  0  0  0  0  0  0  0
  224.4618  183.0673  250.9619 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <CHROM.1>
-130.86168499,-160.38779647,179.02398966,222.60807391,185.05754431,251.82001030
1.12704377,0.62549178,-2.01568190

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445229/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27341

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-2.12659

>  <SCORE.INTRA.DIHEDRAL>
-2.51723

>  <SCORE.INTRA.DIHEDRAL.0>
7.05168

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.867978

>  <SCORE.INTRA.VDW.0>
2.48647

>  <SCORE.INTRA.norm>
-0.111926

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.330179

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  200.6359  212.9017  246.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6734  213.9695  247.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5169  215.1222  246.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6316  216.0876  246.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9447  216.0068  248.0013 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.0581  214.8033  248.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9399  213.8238  248.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2015  217.1445  248.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4445  217.9552  247.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2998  217.2259  246.2603 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9650  219.3385  246.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6283  219.7067  245.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1145  220.9837  245.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9581  221.8944  246.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3578  221.5368  247.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8633  220.2615  247.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4593  223.1154  245.9754 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4353  223.6405  246.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3233  217.3663  249.2524 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1405  218.0685  249.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8272  218.5026  247.9578 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2378  218.2825  250.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6736  218.2800  251.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7920  218.5424  252.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4488  218.8184  252.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9933  218.7986  251.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8818  218.5193  249.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3936  218.5286  248.7338 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.9601  218.0224  251.8352 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.7016  217.5632  245.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3979  216.7749  250.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-143.09051860,-143.63811008,135.05517854,24.55098618,196.15110394,218.21521494
248.32146448,0.45301693,-0.74860010,2.48759983

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445230/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.443781

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-8.95622

>  <SCORE.INTRA.DIHEDRAL>
-17.5891

>  <SCORE.INTRA.DIHEDRAL.0>
36.9071

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.161688

>  <SCORE.INTRA.VDW.0>
0.416651

>  <SCORE.INTRA.norm>
-0.308835

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.0153028

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  218.0909  186.8703  248.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9687  186.0646  248.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4117  185.8612  247.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9737  186.4306  245.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1143  187.2410  246.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6521  187.4619  247.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9752  187.7601  244.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6544  187.4372  243.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9644  188.6622  245.2627 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6166  189.4109  244.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7629  190.5459  243.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1030  191.7379  243.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7865  190.1825  242.8362 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.0830  185.8733  244.1277 I   0  0  0  0  0  0  0  0  0  0  0  0
  220.0649  189.0369  246.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  1  13  -1
M  END
>  <CHROM.1>
-0.38135703,74.07894470,106.28576286,217.59624856,187.24660304,244.88308314
-2.72866876,-0.80318337,-1.25018106

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445232/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95693

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.44307

>  <SCORE.INTRA.DIHEDRAL>
-3.99833

>  <SCORE.INTRA.DIHEDRAL.0>
6.38434

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.443906

>  <SCORE.INTRA.VDW.0>
0.0791579

>  <SCORE.INTRA.norm>
-0.174505

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.425495

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004288

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  204.8154  188.5559  249.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1039  189.4236  250.3205 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0962  188.7277  251.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3512  190.7912  250.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2105  191.5257  251.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4658  192.9189  250.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8639  193.6986  249.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0091  193.0344  249.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7815  191.6344  249.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8646  191.1388  248.2046 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.6901  190.9489  248.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3182  191.0066  247.0584 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.1305  195.0893  249.8622 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9702  195.8084  250.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6755  195.4526  251.5952 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9635  197.1948  250.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1415  197.2641  249.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5893  195.9254  248.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7656  195.7114  248.0482 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0102  190.8855  252.0797 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.0153  190.2656  251.7089 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6572  191.0628  253.2542 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  4  10   1  12  -1  20   1  22  -1
M  END
>  <CHROM.1>
-148.46807311,-0.27514621,205.68914016,192.54851331,250.04720717,1.85437200
0.88472403,2.84314325

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445233/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.9261

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-0.473899

>  <SCORE.INTRA.DIHEDRAL>
-1.04506

>  <SCORE.INTRA.DIHEDRAL.0>
4.61773

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0486335

>  <SCORE.INTRA.VDW.0>
0.410407

>  <SCORE.INTRA.norm>
-0.0215409

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.314823

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000309

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  213.2520  193.1205  238.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1749  192.6934  239.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9587  193.0549  240.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8347  193.7794  240.7893 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8005  193.9926  239.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7836  194.6266  240.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9604  193.4298  238.6472 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7320  194.4955  242.0521 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2471  193.6846  243.2728 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.7370  194.5714  244.4102 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0947  195.0392  243.8709 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.9880  195.0936  242.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5638  196.3937  244.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6965  197.4433  243.9936 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8481  195.6618  244.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8882  192.4073  243.3992 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2091  193.6563  238.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7986  197.1981  244.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9731  195.3250  244.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6687  191.8839  242.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8  4  1  6  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  1  0  0  0
 10 11  1  0  0  0  0
 10 15  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
-85.21652846,-61.90877094,61.00632928,-63.79883971,55.05014542,212.94086485
194.39036033,241.92012763,-1.68411779,-0.22535806,1.09669379

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445242/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.494559

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-6.90544

>  <SCORE.INTRA.DIHEDRAL>
-7.09139

>  <SCORE.INTRA.DIHEDRAL.0>
9.69649

>  <SCORE.INTRA.POLAR>
-0.751242

>  <SCORE.INTRA.POLAR.0>
-0.0124249

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.805527

>  <SCORE.INTRA.VDW.0>
-0.721742

>  <SCORE.INTRA.norm>
-0.43159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.0309099

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007579

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  198.2483  218.7277  261.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8769  217.9485  262.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6121  217.4736  262.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6067  216.7981  264.4292 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.2779  217.0309  264.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8402  217.6248  263.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2652  217.5966  262.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2584  218.3641  262.9104 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2963  219.0825  262.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2870  218.3199  261.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9786  218.1288  261.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0965  217.2264  261.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5109  216.5242  259.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7838  216.7205  259.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6682  217.6141  260.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6954  215.6195  259.4257 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.6939  217.8302  264.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9065  218.3519  265.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7779  216.5765  264.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4747  215.3667  263.5557 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1801  214.9486  262.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0224  213.9388  262.0973 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.7404  213.4385  260.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3578  212.8527  260.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7294  213.6934  261.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7693  214.5179  262.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1553  214.5884  264.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3232  214.9826  265.6491 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7081  213.2365  264.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1930  213.2702  263.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4627  214.1796  262.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9510  214.3733  262.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9576  214.9959  260.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7156  214.4461  260.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9514  213.6450  261.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 22 21  1  6  0  0  0
 22 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
-114.85986297,148.81187072,67.75489471,113.59718105,96.66632976,63.27213773
-104.21241106,-91.92431397,-177.19328677,96.78509154,-63.58214501,172.42670317
194.13955704,215.99483654,262.37443299,0.18044907,-0.30774412,0.05599119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445243/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.91228

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.497143

>  <SCORE.INTRA>
-11.4877

>  <SCORE.INTRA.DIHEDRAL>
-1.4109

>  <SCORE.INTRA.DIHEDRAL.0>
10.3308

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.7823

>  <SCORE.INTRA.VDW.0>
-3.03648

>  <SCORE.INTRA.norm>
-0.32822

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.168922

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000396

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  192.3511  216.6730  246.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4524  215.9853  245.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9934  215.5708  244.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5963  214.2493  243.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6386  213.3869  244.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1005  213.8946  242.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6229  212.5969  242.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1743  212.2413  241.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2106  213.1770  240.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6811  214.4722  240.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1164  214.8441  241.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5932  216.1998  241.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0157  216.5264  243.1242 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5831  217.3142  240.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2358  217.0775  239.7362 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9634  218.5567  241.3344 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9930  219.6988  240.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6826  220.8708  241.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8440  222.0021  240.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4961  223.1585  240.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0073  223.2160  241.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8586  222.1170  242.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2075  220.9356  242.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2275  220.0134  243.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4274  219.4358  243.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1482  218.6705  242.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-98.05106085,-3.14358418,-169.28404691,175.44805435,113.70385137,193.05797264
217.37460909,242.31461185,-2.42845085,-1.18200355,-0.91921528

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445244/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.93839

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-2.46161

>  <SCORE.INTRA.DIHEDRAL>
-0.779044

>  <SCORE.INTRA.DIHEDRAL.0>
8.93072

>  <SCORE.INTRA.POLAR>
-0.633135

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00021531

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.079497

>  <SCORE.INTRA.VDW.0>
-0.614607

>  <SCORE.INTRA.norm>
-0.0984643

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.317536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  184.4013  216.8640  263.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1110  216.9416  265.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8484  217.7761  266.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8448  218.5747  265.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1575  218.4707  264.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3908  217.6696  263.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7408  217.5211  261.9957 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.4721  217.9186  267.4426 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4452  218.3038  261.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.7251  217.3106  261.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.0360  217.3729  268.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.2995  218.8538  267.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <CHROM.1>
101.30599559,109.83755855,185.13011828,217.72606404,264.72675481,1.27664884
-0.70923911,-1.82928955

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445245/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78835

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-0.611645

>  <SCORE.INTRA.DIHEDRAL>
-0.350575

>  <SCORE.INTRA.DIHEDRAL.0>
1.17423

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.436358

>  <SCORE.INTRA.VDW.0>
-0.109181

>  <SCORE.INTRA.norm>
-0.0764556

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.848544

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000751

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  218.2027  184.9386  255.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6513  184.1926  254.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9761  183.7634  254.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4235  183.0844  253.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5449  182.7297  252.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2238  183.1832  252.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7787  183.9136  253.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9259  181.9954  250.9663 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0690  181.4122  250.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3958  180.6774  249.7210 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.6704  180.1493  249.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0645  179.3320  248.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5720  180.7387  250.7376 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.4078  181.3946  251.9619 S   0  0  0  0  0  0  0  0  0  0  0  0
  224.4461  181.8335  250.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6363  182.9085  249.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2043  182.7314  248.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4927  184.0702  250.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2482  184.6611  250.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1405  185.4041  251.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9401  186.0456  251.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8128  185.8893  251.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9133  185.1176  250.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1278  184.5159  249.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5034  186.5294  251.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5295  186.2979  250.7719 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3717  187.4207  252.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3896  180.2821  248.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2654  181.3211  247.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1639  182.0516  247.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3018  184.6755  250.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
10.27511917,90.60385002,54.98885306,-80.15021035,-125.83517006,151.40861843
-176.20700873,-115.42252442,220.81804128,183.19500403,250.99333788,-2.89812794
0.94256481,-1.19335919

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445246/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.15255

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-8.24745

>  <SCORE.INTRA.DIHEDRAL>
-5.55136

>  <SCORE.INTRA.DIHEDRAL.0>
11.1058

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.47178

>  <SCORE.INTRA.VDW.0>
-2.2076

>  <SCORE.INTRA.norm>
-0.274915

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.171752

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  218.4500  188.7329  255.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6566  189.7167  254.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8858  189.4216  253.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8998  188.1397  253.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6838  187.1539  253.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4588  187.4489  254.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1277  187.8461  251.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1437  186.6387  251.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4107  186.4239  250.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7064  187.4204  249.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6840  188.7314  250.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9641  189.7460  249.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1751  189.5683  248.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4896  190.4786  248.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2288  188.2530  247.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9611  187.2507  248.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0306  186.0332  247.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5026  188.1237  246.6261 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4171  188.9119  251.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4807  185.1519  249.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4895  186.0998  246.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0735  188.9928  246.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.9790  185.1299  248.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
178.37637672,-178.00358501,0.12777026,-179.46831763,215.28850336,188.03033017
250.72338712,0.41512274,-0.90976952,0.48013171

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445247/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.28011

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-1.11989

>  <SCORE.INTRA.DIHEDRAL>
-1.20772

>  <SCORE.INTRA.DIHEDRAL.0>
1.21518

>  <SCORE.INTRA.POLAR>
-0.0990839

>  <SCORE.INTRA.POLAR.0>
-0.978567

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.179144

>  <SCORE.INTRA.VDW.0>
0.944486

>  <SCORE.INTRA.norm>
-0.0559945

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.264006

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  180.5728  217.3084  254.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4112  216.1335  255.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3457  214.7684  255.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0902  214.1888  256.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0171  215.2297  257.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2062  216.4121  256.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.5200  214.0960  253.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6723  214.7495  252.6876 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.8868  213.8342  251.6806 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.8177  212.6380  252.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5431  212.7457  253.5528 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.1530  211.6733  254.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0440  211.1222  251.4016 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.4344  210.3355  252.3253 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.7084  208.8997  251.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7220  211.1508  252.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0521  211.5248  250.9638 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4271  211.4553  253.2475 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0099  212.4456  254.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7840  212.1133  255.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4619  213.1100  256.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3286  214.4368  256.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5258  214.7729  254.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8754  213.7862  253.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9755  214.1544  252.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0615  214.4102  251.2428 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4230  211.2626  253.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
M  END
>  <CHROM.1>
-4.57024256,121.84314972,173.26665509,-46.18917378,-74.77697715,122.59622312
182.00320027,213.23565172,253.69570992,1.93542973,-0.26038746,0.81740320

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445248/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.75955

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-5.64045

>  <SCORE.INTRA.DIHEDRAL>
1.95289

>  <SCORE.INTRA.DIHEDRAL.0>
4.20134

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.61689

>  <SCORE.INTRA.VDW.0>
-1.8143

>  <SCORE.INTRA.norm>
-0.21694

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.221521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  196.3854  220.9120  261.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5697  220.8310  259.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1364  220.7681  259.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3816  221.7379  259.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1997  221.8612  261.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1734  223.0991  259.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0312  223.7015  258.6707 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8594  223.4598  259.4333 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1415  222.4043  259.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9221  222.3357  259.9514 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0032  221.3873  260.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2372  224.5960  258.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1092  224.4355  257.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4320  225.3487  256.4946 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5550  223.2349  256.8464 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3668  222.1089  256.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0479  220.8971  257.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8342  219.7707  256.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9670  219.8538  256.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3001  221.0706  255.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4913  222.1920  255.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4057  218.2634  257.6613 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.6636  220.4995  260.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6879  223.3169  256.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
68.11746583,-133.45972284,-90.07291290,128.27110926,193.35906985,221.79799542
258.33495390,-0.78675328,-0.90723278,0.32278590

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445249/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.98769

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-4.41231

>  <SCORE.INTRA.DIHEDRAL>
-1.00805

>  <SCORE.INTRA.DIHEDRAL.0>
3.87874

>  <SCORE.INTRA.POLAR>
0.0738451

>  <SCORE.INTRA.POLAR.0>
-0.0738451

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.15936

>  <SCORE.INTRA.VDW.0>
-1.43165

>  <SCORE.INTRA.norm>
-0.20056

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.226713

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000035

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  184.6472  211.9511  254.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0149  212.1591  256.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6172  213.5397  256.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0732  213.6280  257.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8805  212.5196  258.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2193  211.2473  258.1523 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.8159  210.9978  256.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1974  209.5882  256.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8963  208.6225  257.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2720  208.9019  258.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9437  210.2351  259.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4050  210.5028  260.1383 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.9739  207.7946  259.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2850  206.6443  259.5398 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3716  208.0069  261.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.9350  209.0187  255.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7508  207.5316  254.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0541  208.6417  254.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6761  214.7920  258.2955 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.7070  214.7980  255.6017 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.3569  214.7400  254.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6696  215.9119  253.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5376  217.2472  253.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7056  217.3800  255.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8634  216.1566  256.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7386  218.6923  255.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5958  219.8146  254.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4170  219.6552  253.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3961  218.3785  253.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2400  218.2630  251.6273 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.0721  208.8535  261.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.2231  217.3627  251.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.1168  219.1016  251.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 29  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
40.30295057,-154.03364266,-0.28666342,0.17157001,183.51522909,212.86676059
256.43316169,-1.61735587,1.28695159,-0.39552603

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445258/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.22534

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.28

>  <SCORE.INTRA>
-2.17466

>  <SCORE.INTRA.DIHEDRAL>
3.56848

>  <SCORE.INTRA.DIHEDRAL.0>
1.33463

>  <SCORE.INTRA.POLAR>
-0.189096

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.31597

>  <SCORE.INTRA.VDW.0>
3.74632

>  <SCORE.INTRA.norm>
-0.0724885

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.207511

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001207

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  189.7422  214.4168  260.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8570  215.3195  259.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6236  214.9002  259.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7665  213.7112  259.8028 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.7023  212.7250  258.6129 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.8886  211.2466  258.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3351  210.7594  260.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7798  211.6741  261.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8619  213.0831  261.4943 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.2191  209.3760  260.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6576  208.4483  259.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2946  208.9177  258.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4030  210.2998  258.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5286  207.0958  259.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2320  206.6249  259.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3887  213.3908  257.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1870  212.8905  256.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8745  214.7139  257.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1461  215.5715  258.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4215  216.9130  258.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5676  217.4157  258.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3272  216.5883  259.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4945  217.8054  257.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 22  1  0  0  0  0
  2  3  2  0  0  0  0
  3 19  1  0  0  0  0
  4  3  1  6  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
47.20658084,187.20066263,212.74876491,259.23994937,-0.27432679,1.36485868
1.71801293

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445259/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.00442

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-0.395581

>  <SCORE.INTRA.DIHEDRAL>
2.40788

>  <SCORE.INTRA.DIHEDRAL.0>
0.139989

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.59952

>  <SCORE.INTRA.VDW.0>
2.56544

>  <SCORE.INTRA.norm>
-0.0171992

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.261062

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  196.8977  195.3453  243.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7693  194.5491  244.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8140  193.5733  245.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3826  193.9536  246.6265 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1389  192.8264  247.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6563  193.1733  248.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5226  194.4273  248.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8030  195.5905  247.8632 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.2497  195.1392  246.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7708  196.7789  247.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1596  198.0297  247.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8155  199.1646  247.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3469  200.1006  246.9815 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3935  199.6114  245.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0675  200.2315  244.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2038  199.4787  243.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6280  198.1540  243.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9541  197.5520  244.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8549  198.2976  245.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0292  201.0269  247.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
113.50163138,166.05055664,-174.68175941,103.83250336,199.22034508,196.56687927
246.14555539,1.74293030,1.02786002,2.67402026

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445260/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.60772

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-1.79228

>  <SCORE.INTRA.DIHEDRAL>
-1.83041

>  <SCORE.INTRA.DIHEDRAL.0>
2.80291

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.87708

>  <SCORE.INTRA.VDW.0>
-0.524337

>  <SCORE.INTRA.norm>
-0.0943307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.400406

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000465

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  206.8092  210.3505  257.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6075  209.1767  256.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1038  209.5841  255.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4397  207.9774  256.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2060  208.8029  256.4051 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0340  209.6639  256.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2620  208.4251  255.7851 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.6412  207.7220  255.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1114  206.6745  255.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5960  208.5130  254.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3077  208.8159  253.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7011  208.8768  251.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3395  208.5797  251.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5904  208.3895  252.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2107  208.3469  254.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7722  208.4355  250.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1645  208.6457  250.1148 Si  0  0  0  0  0  0  0  0  0  0  0  0
  198.9125  208.2935  248.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0438  207.5601  251.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5661  210.5946  250.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0831  210.7439  250.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7447  210.9496  251.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4354  211.5205  249.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5055  209.3450  250.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8773  210.4300  249.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9683  211.7053  250.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5370  210.5518  248.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  6  0  0  0
  8  9  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <CHROM.1>
44.09664343,56.46149625,-127.77807835,-155.09996169,-179.05965841,-178.69350348
74.08046867,202.29899978,209.20816024,252.66923626,-0.71668919,-0.28023095
-1.12342187

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445261/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2658

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-2.13417

>  <SCORE.INTRA.DIHEDRAL>
-1.5227

>  <SCORE.INTRA.DIHEDRAL.0>
4.46118

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.37282

>  <SCORE.INTRA.VDW.0>
-1.25407

>  <SCORE.INTRA.norm>
-0.0790435

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.380216

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005223

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  202.7903  204.6436  244.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5163  205.5409  244.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5998  206.7809  244.9421 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5049  207.7462  244.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6971  209.1932  245.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2328  209.6838  246.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4793  209.9141  244.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5744  206.3688  246.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6537  207.0675  247.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8245  206.7284  247.2559 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1777  208.1668  247.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1193  205.3419  243.9354 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1889  204.2924  244.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5048  203.7073  245.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9085  204.7273  246.2940 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1917  206.0281  242.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4785  207.3816  242.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7476  207.8109  241.7635 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7983  208.0842  243.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6425  210.8410  244.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9218  208.5780  248.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1569  205.3346  246.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2450  208.9041  243.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <CHROM.1>
-39.68675716,174.83843377,162.37184280,-163.00295882,133.15189872,-97.03274935
-179.02117523,-80.84322112,-178.85644025,-76.66308098,82.43399951,-58.61806260
62.55910913,-137.52915585,-175.69866759,202.86154904,206.85368079,244.88518314
0.06173989,0.84115107,-1.49722832

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445262/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.73058

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.863158

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
5.24253

>  <SCORE.INTRA.DIHEDRAL.0>
4.28636

>  <SCORE.INTRA.POLAR>
-1.21086

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.301609

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002063

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  208.9291  212.8340  244.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3013  212.3823  245.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9532  213.3776  246.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1636  214.5727  246.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3319  212.7854  247.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9160  212.3166  247.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9428  213.0582  247.1883 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6641  210.8486  247.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9781  209.8758  246.9486 P   0  0  0  0  0  0  0  0  0  0  0  0
  206.2030  208.9339  248.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6762  209.2514  249.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2600  208.5213  250.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3215  207.5058  250.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7781  207.2453  249.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2134  207.9555  248.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2320  209.2275  245.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6447  207.9542  245.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4901  207.3514  243.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8781  208.0208  242.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3772  209.3169  242.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5586  209.9169  244.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4462  208.7888  246.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6895  209.2032  246.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7038  208.2860  246.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5007  206.9208  246.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2674  206.4686  246.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2523  207.3880  246.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  2  0  0  0  0
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 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
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M  END
>  <CHROM.1>
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-173.24233648,207.10651473,209.75368104,246.56504672,-1.16267242,-1.14166324
3.02047967

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445264/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.42523

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
-0.831503

>  <SCORE.INTRA.VDW.0>
-2.40841

>  <SCORE.INTRA.norm>
-0.110177

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.349083

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008877

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  211.2644  190.2070  245.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2641  190.7330  246.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4661  190.2461  247.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0735  192.2461  246.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9643  192.6950  247.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5903  194.1283  247.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6457  195.1597  246.9037 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.8460  194.5372  246.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0218  193.1969  246.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7439  195.5189  245.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3796  197.0296  245.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8734  197.4616  245.7069 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.9586  196.2211  245.9641 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6205  195.5109  244.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1033  196.2486  243.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5852  197.6612  243.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2620  198.4434  244.5733 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1302  199.3891  245.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3331  199.3852  244.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6148  199.4869  242.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9584  200.1409  244.9327 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6952  196.7183  246.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6352  200.7468  244.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
115.35062520,124.41459076,-179.58422042,210.84462308,195.62424188,245.53261791
-1.49002581,0.41839074,-0.34075560

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445265/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61869

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-0.781314

>  <SCORE.INTRA.DIHEDRAL>
-0.0130817

>  <SCORE.INTRA.DIHEDRAL.0>
1.19349

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.774773

>  <SCORE.INTRA.VDW.0>
0.548503

>  <SCORE.INTRA.norm>
-0.0355143

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.300849

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002727

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  210.1162  197.0454  245.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5823  196.9627  244.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8563  195.6013  244.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1228  195.3398  244.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0858  196.0801  244.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2696  193.8631  243.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2986  193.0039  243.8483 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8829  191.7865  243.7219 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2773  191.8656  243.2954 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6173  193.3182  243.5401 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.5464  193.2984  244.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8715  194.2988  245.3303 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9802  192.0087  244.8846 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1975  191.0947  244.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1840  189.8778  244.3348 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0145  191.6415  245.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8529  190.5393  245.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8203  190.1872  246.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9660  190.9199  247.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1518  192.0227  247.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1965  192.3960  246.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3756  192.6304  249.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0648  194.0146  249.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8480  189.7202  244.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1887  190.2928  243.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3234  191.0989  243.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  1  1  0  0  0
  9 10  1  0  0  0  0
 10  6  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.82407956,3.55681602,5.74208587,-149.39845643,64.72879378,152.93557520
215.41812049,192.82991168,245.21043057,-2.91254202,0.64504999,-2.41354991

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445274/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.32728

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-6.07272

>  <SCORE.INTRA.DIHEDRAL>
-11.8225

>  <SCORE.INTRA.DIHEDRAL.0>
21.0957

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.161455

>  <SCORE.INTRA.VDW.0>
0.454395

>  <SCORE.INTRA.norm>
-0.242909

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.213091

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  225.5725  185.6107  251.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5764  184.4958  250.3494 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6397  183.1487  250.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6552  184.7191  248.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7130  183.6680  248.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7543  183.8962  246.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7192  185.1899  246.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6880  186.2444  247.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6529  186.0035  248.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6418  185.4310  244.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4931  184.3870  243.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3565  184.6424  242.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5826  183.7650  241.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8752  185.9795  241.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1526  186.1464  240.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5941  187.3853  240.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8151  188.4360  241.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5800  188.3057  242.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0712  187.0319  242.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6340  186.7357  244.1596 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1350  189.5560  241.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3064  189.0184  240.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7325  187.7122  239.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7875  187.4956  244.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 20  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
177.49778058,5.43712809,224.88521535,185.99703806,244.57777250,0.95686925
-1.18626205,1.33565884

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445275/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19644

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-0.203559

>  <SCORE.INTRA.DIHEDRAL>
-1.38939

>  <SCORE.INTRA.DIHEDRAL.0>
1.4827

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.491135

>  <SCORE.INTRA.VDW.0>
2.60718

>  <SCORE.INTRA.norm>
-0.00885037

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.312889

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000260

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  201.3908  198.8624  259.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0543  198.0110  259.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6620  197.0182  257.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7825  196.8444  257.0759 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9174  197.5905  255.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2180  198.5352  255.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0441  197.0632  255.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3237  197.5314  253.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3211  196.9569  252.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0345  195.8062  253.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9644  195.2807  252.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2010  195.8792  251.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4999  197.0582  250.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5637  197.5788  251.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7443  198.0115  249.4101 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.1548  195.2546  250.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9152  195.0962  248.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6596  194.2671  248.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6644  193.0541  248.5721 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5209  195.0016  248.6894 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8174  193.8459  252.8570 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.8158  195.7670  255.9325 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.6939  195.8453  257.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7639  195.0913  258.2372 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7424  194.4242  248.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-111.40072909,-93.17012049,3.09071039,138.33975713,-60.29686554,-92.70075537
179.98433618,204.31596076,196.18903845,253.35630042,2.48444770,-0.95593486
2.16001933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445276/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.49478

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-7.90522

>  <SCORE.INTRA.DIHEDRAL>
-16.0519

>  <SCORE.INTRA.DIHEDRAL.0>
21.741

>  <SCORE.INTRA.POLAR>
0.363179

>  <SCORE.INTRA.POLAR.0>
-0.363179

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.11406

>  <SCORE.INTRA.VDW.0>
-0.471925

>  <SCORE.INTRA.norm>
-0.329384

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.145616

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000198

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  221.6253  176.5586  244.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5064  177.0189  245.8066 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.7666  177.9924  246.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5862  178.4686  247.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9053  179.1318  247.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7562  179.4495  248.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8815  177.3610  248.8091 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9345  175.8733  246.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2649  176.6572  248.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.5001  175.3384  245.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
178.15993818,64.80092166,56.77870488,50.65443873,222.52080074,177.67508638
247.11954734,1.76399210,0.94544915,-2.40503149

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445277/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.02261

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-1.37739

>  <SCORE.INTRA.DIHEDRAL>
0.0748398

>  <SCORE.INTRA.DIHEDRAL.0>
0.677931

>  <SCORE.INTRA.POLAR>
-0.301685

>  <SCORE.INTRA.POLAR.0>
-0.458745

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.389076

>  <SCORE.INTRA.VDW.0>
1.11611

>  <SCORE.INTRA.norm>
-0.172173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.752827

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001382

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  222.9429  185.3604  253.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4913  185.7990  253.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4425  187.0091  252.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8439  187.6439  252.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6938  186.6835  253.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4280  187.8361  250.8951 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2249  188.9845  250.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5617  189.9362  250.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.9573  189.0188  248.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0017  188.1208  247.5452 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.9264  186.4987  248.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7999  185.9669  248.9917 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3652  184.7104  249.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2406  184.4504  248.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8576  185.6184  247.9887 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6472  185.8290  247.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6531  186.6325  246.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4491  187.0044  245.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2413  186.5348  246.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2362  185.6851  247.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4325  185.3375  247.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6066  183.1091  248.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7079  182.7307  247.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1711  181.4582  247.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5229  180.5304  248.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4193  180.8350  249.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9627  182.1323  249.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9161  179.3303  248.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2751  179.5735  247.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2815  180.9663  246.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7918  187.0259  250.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 30  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
88.56392750,82.92293106,-61.31522382,-25.51859511,-158.07309771,33.38467665
221.55440637,185.18046733,248.91472588,-0.68617344,1.05321203,2.70968332

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445278/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.98303

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-5.41697

>  <SCORE.INTRA.DIHEDRAL>
-2.14301

>  <SCORE.INTRA.DIHEDRAL.0>
11.0401

>  <SCORE.INTRA.POLAR>
-0.999685

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.946534

>  <SCORE.INTRA.VDW.0>
-3.24744

>  <SCORE.INTRA.norm>
-0.180566

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.199434

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  191.1830  229.0986  262.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9639  228.5836  261.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8224  227.6174  260.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6478  227.1200  259.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5762  227.5940  258.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7312  228.5772  259.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9158  229.0612  260.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3372  227.1416  257.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4712  225.9875  257.1476 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1076  225.9406  257.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6358  224.6287  257.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3208  224.2886  257.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4832  225.2906  258.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9581  226.5999  258.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2795  226.9359  257.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8609  224.9049  258.5572 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.7772  223.7167  257.0192 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9708  224.7023  256.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1214  224.3872  256.6193 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0905  222.6711  258.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8721  223.1983  259.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0542  222.9411  259.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1776  224.1089  260.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9512  224.9154  261.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3302  225.7752  261.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9386  225.8222  262.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1665  225.0118  261.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7826  224.1550  260.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4798  223.0511  255.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6408  226.1189  258.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3064  223.7427  255.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  1  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
90.73724967,65.83839765,-77.93197726,56.26755870,-107.92517541,-160.70065699
188.85901244,225.59269428,258.99607746,0.66834282,0.07572428,0.81019779

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445279/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.85567

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-4.54433

>  <SCORE.INTRA.DIHEDRAL>
0.783584

>  <SCORE.INTRA.DIHEDRAL.0>
6.52014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.93613

>  <SCORE.INTRA.VDW.0>
-2.79602

>  <SCORE.INTRA.norm>
-0.151478

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.195189

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000547

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  194.9592  224.4583  261.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3092  223.7627  261.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4611  224.6213  261.4062 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8214  223.9515  261.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2218  224.8636  259.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9312  225.9257  259.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6304  226.6407  260.2087 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6938  226.0846  258.1646 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2553  227.0856  257.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8404  227.1828  256.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3605  228.1919  255.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3054  229.0943  255.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7425  228.9834  256.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2235  227.9822  257.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8151  228.3395  253.5634 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.9730  225.4831  257.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
175.16271619,161.17084086,-4.17830203,-175.24386234,197.91987791,226.57607776
258.12660351,1.77432607,0.51890408,2.00431048

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445280/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.49507

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-0.904929

>  <SCORE.INTRA.DIHEDRAL>
-1.26951

>  <SCORE.INTRA.DIHEDRAL.0>
3.12177

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.270173

>  <SCORE.INTRA.VDW.0>
1.4927

>  <SCORE.INTRA.norm>
-0.0603286

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.566338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000632

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  218.6312  206.2343  218.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8648  206.1905  217.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5447  207.3058  217.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7999  206.9159  216.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7912  205.5126  216.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5870  205.0535  217.4374 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1506  203.6793  217.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0623  202.6234  217.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6143  201.3013  217.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2590  201.0096  217.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3351  202.0440  217.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7778  203.3623  217.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7608  200.0180  218.0119 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  222.8019  204.5768  216.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8493  207.8002  216.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0981  209.1189  216.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2319  209.9623  215.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1274  209.4392  215.1270 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.2182  211.3426  216.2257 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1493  211.8670  216.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1866  211.2391  217.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3101  209.8762  217.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8667  209.3168  218.6165 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2040  213.6071  216.9451 S   0  0  0  0  0  0  0  0  0  0  0  0
  224.7939  213.5010  216.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1865  212.3080  215.8172 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.5159  214.8290  215.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0772  215.4726  217.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9975  216.2917  217.1612 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.4746  215.1764  218.4729 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.9556  214.1579  219.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8516  213.6839  220.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1779  214.7822  221.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5999  215.6460  220.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6930  216.2375  219.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0239  208.4333  214.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 15 16  2  0  0  0  0
 16 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
23.39303918,-153.00574473,73.25703633,157.84993434,97.03436038,222.76020320
209.08091327,217.58831607,2.06496919,-0.75120261,-2.76434088

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445282/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.1222

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297143

>  <SCORE.INTRA>
-3.2778

>  <SCORE.INTRA.DIHEDRAL>
-2.82794

>  <SCORE.INTRA.DIHEDRAL.0>
10.2218

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.86384

>  <SCORE.INTRA.VDW.0>
-0.205848

>  <SCORE.INTRA.norm>
-0.0936515

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.203491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000047

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  215.3728  184.3198  244.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9656  184.9894  245.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0105  184.6587  246.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1377  185.9778  246.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5055  186.6351  247.4598 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5107  187.7956  247.6951 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.1753  187.3200  247.9747 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1048  186.4680  249.1190 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.9559  185.2074  248.8465 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4215  185.6145  248.6083 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.0091  186.1189  249.8190 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8585  184.2433  249.8992 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5727  187.1606  250.2872 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6992  188.2229  250.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3795  188.7279  246.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3379  189.7791  246.5398 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9776  189.4580  246.6312 Si  0  0  0  0  0  0  0  0  0  0  0  0
  217.4239  188.8056  248.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7741  189.3135  249.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1857  188.9562  250.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2301  188.0635  250.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8526  187.5023  249.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4447  187.8614  248.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4843  188.1460  245.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6054  187.3196  245.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9806  186.3488  244.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2144  186.1445  243.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1036  186.9457  243.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7695  187.9607  244.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0729  191.1977  246.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7377  191.7412  244.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7313  192.2664  247.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5825  190.8826  246.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4299  186.8318  250.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9205  183.9751  249.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  1  0  0  0
  9 10  1  0  0  0  0
  9 12  1  1  0  0  0
 10 11  1  1  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 17 30  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
174.10448498,175.15105239,-89.24158403,67.52473547,61.37556555,69.93270280
57.51101582,-73.00445371,-36.37601842,-153.63782778,-59.62222300,216.27988521
187.67352006,247.36117246,3.02953938,0.91144678,0.85866231

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445283/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.63856

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-7.76144

>  <SCORE.INTRA.DIHEDRAL>
-4.86645

>  <SCORE.INTRA.DIHEDRAL.0>
10.946

>  <SCORE.INTRA.POLAR>
0.077706

>  <SCORE.INTRA.POLAR.0>
-0.813899

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.59242

>  <SCORE.INTRA.VDW.0>
-4.51135

>  <SCORE.INTRA.norm>
-0.235195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.201168

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000101

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  197.1038  213.3753  261.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1705  212.4914  260.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5261  211.3028  260.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9223  211.0115  261.4683 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6741  210.4239  259.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6364  209.4061  259.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9122  209.8254  259.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6222  209.0467  260.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9427  209.3596  260.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5658  210.4458  260.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8683  211.2134  259.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5415  210.9049  259.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
1.40407547,104.30292691,-63.31926793,146.08507653,198.43393046,210.77881502
260.21723587,-2.71982241,-0.02499931,-2.89031930

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445284/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.64878

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-0.751222

>  <SCORE.INTRA.DIHEDRAL>
0.425426

>  <SCORE.INTRA.DIHEDRAL.0>
2.57911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.963935

>  <SCORE.INTRA.VDW.0>
2.68429

>  <SCORE.INTRA.norm>
-0.0626018

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.720731

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002985

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 38  0  0  0  0  0  0  0  0999 V2000
  210.7113  184.3234  245.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1823  184.1568  244.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4049  182.6845  244.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9610  182.5197  242.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0952  181.0427  242.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7464  180.8745  241.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7496  179.4096  240.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2603  179.2615  239.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2467  177.7994  238.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6285  177.6609  237.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1044  177.9827  237.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5015  177.9102  235.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9990  178.1180  235.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4191  177.9498  234.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7660  177.9676  233.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6066  178.0080  234.8513 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0863  177.6683  232.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4260  178.4386  231.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5640  178.1527  230.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3631  177.0913  229.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0078  176.3116  230.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8657  176.5706  232.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6480  175.7225  233.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6722  175.1239  232.8362 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9126  175.5359  234.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5583  174.7213  235.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7071  174.5450  236.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3368  175.9000  237.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3576  175.7336  238.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0066  177.0764  238.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0731  176.8813  240.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7520  178.2154  240.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8995  178.0052  242.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6229  179.3345  242.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7849  179.1330  243.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6773  180.4407  244.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7827  180.2874  245.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7181  181.5889  246.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
-176.48029690,-176.32086374,-175.79837602,-174.09906983,173.78253342,-179.25788407
174.54339987,69.98522140,-177.57398818,-175.08803360,175.39067183,-172.78720871
5.95804639,51.90877607,-151.12804229,179.50903006,179.74032402,-56.90572079
173.75330037,178.71944279,-177.68924275,178.39681737,-176.03494647,177.92478344
-179.36986370,172.39059563,176.97999580,178.45164881,216.33726462,178.44476795
238.22261064,2.27265045,-0.71436765,1.65837010

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445285/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.5919

>  <SCORE.INTER>
33.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
28

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.878947

>  <SCORE.INTRA>
-16.8081

>  <SCORE.INTRA.DIHEDRAL>
-24.5965

>  <SCORE.INTRA.DIHEDRAL.0>
38.4836

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.50989

>  <SCORE.INTRA.VDW.0>
-2.54704

>  <SCORE.INTRA.norm>
-0.442319

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.436628

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.068478

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  215.4645  179.0908  249.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4655  179.8594  250.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2189  181.4310  251.0394 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.1629  180.8213  251.5775 P   0  0  0  0  0  0  0  0  0  0  0  0
  217.0513  178.9809  250.5536 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.2342  181.9050  250.1289 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.0747  183.6642  250.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7302  184.1928  250.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6122  184.1940  248.2843 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.9423  182.2489  247.8376 P   0  0  0  0  0  0  0  0  0  0  0  0
  213.8932  182.5448  248.1994 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.1851  181.8763  246.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9485  182.4120  245.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7486  182.3580  245.7462 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
69.42543076,-80.97792381,-64.85624001,86.24672748,81.51638575,216.00175427
181.82189051,249.08465012,0.99529264,0.75020253,2.44108643

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445286/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.10774

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-2.29226

>  <SCORE.INTRA.DIHEDRAL>
1.5592

>  <SCORE.INTRA.DIHEDRAL.0>
0.345113

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.07186

>  <SCORE.INTRA.VDW.0>
-0.956957

>  <SCORE.INTRA.norm>
-0.163733

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.579124

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034868

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  194.5153  214.3717  244.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0037  214.7308  244.8795 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6310  214.7488  246.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7925  213.3515  246.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5742  212.4635  245.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9652  212.4495  244.4876 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7691  213.8394  243.9791 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1699  214.2415  242.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8937  213.5496  241.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6857  215.6170  242.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3179  216.6682  242.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6723  216.7716  242.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3956  216.0825  242.1699 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1655  217.8753  243.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8386  217.5500  245.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5852  216.2838  245.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0347  216.5454  245.6138 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5003  216.9183  244.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6828  218.0897  243.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8468  215.8756  246.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4043  216.6416  247.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3127  216.1278  248.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7302  214.8098  248.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2089  214.0039  247.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2744  214.5295  246.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7399  213.5531  245.5955 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.5589  213.2076  245.7497 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5187  213.0793  244.7587 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.7674  211.4618  243.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  CHG  2  26   1  28  -1
M  END
>  <CHROM.1>
68.73690356,61.95196002,4.48961687,63.11669330,-107.15555061,199.35118461
214.98189178,244.95157390,3.04636076,-0.49944881,-0.51674304

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445287/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.11492

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-9.28508

>  <SCORE.INTRA.DIHEDRAL>
-10.6525

>  <SCORE.INTRA.DIHEDRAL.0>
13.1882

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.95884

>  <SCORE.INTRA.VDW.0>
0.244695

>  <SCORE.INTRA.norm>
-0.320175

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.0384456

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000647

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  201.0504  206.5706  249.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2902  207.9279  249.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3079  208.8270  249.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4001  210.1036  249.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1988  210.4878  248.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2853  210.9467  249.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1806  210.9031  249.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1188  211.6328  249.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0821  212.3619  250.4040 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0558  211.6200  248.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3286  212.8211  248.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3272  212.9639  247.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0319  211.9048  246.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7484  210.7144  246.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7642  210.5579  247.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4083  209.2295  247.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4593  208.5023  246.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6927  208.8811  248.8372 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2295  207.5608  248.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4552  207.3586  250.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.32405191,3.04314959,-92.25156097,-179.12283768,5.35980531,-144.84711629
-155.70695142,175.42652031,-179.05879884,197.62223780,210.01894117,248.68310677
0.48179849,0.44092778,-3.00490441

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445288/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.70355

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.72

>  <SCORE.INTRA>
-11.6964

>  <SCORE.INTRA.DIHEDRAL>
-21.4089

>  <SCORE.INTRA.DIHEDRAL.0>
29.5643

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0644001

>  <SCORE.INTRA.REPUL.0>
0.0644001

>  <SCORE.INTRA.VDW>
-0.670006

>  <SCORE.INTRA.VDW.0>
0.736338

>  <SCORE.INTRA.norm>
-0.584822

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.135178

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.050716

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  194.1143  210.3936  273.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4324  210.0180  271.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6009  211.2550  270.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9216  210.8473  269.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1059  212.0834  268.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4215  211.7500  266.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5459  213.0828  266.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7968  213.0825  264.7253 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6968  212.4678  263.8054 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.0422  212.3572  262.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2419  213.6763  261.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5568  213.4925  260.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9696  211.3417  264.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6731  210.5448  263.6450 Si  0  0  0  0  0  0  0  0  0  0  0  0
  191.3136  211.7139  263.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2216  209.3270  262.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7059  209.2079  264.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7065  208.1488  265.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2040  210.0399  266.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5197  208.5522  264.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0441  214.5614  264.4763 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.2029  214.9603  264.3392 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0321  215.2594  264.3219 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  6  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
179.92532473,-179.20892674,-179.59816240,178.87753350,-177.15351861,63.32298052
-174.20865807,101.58201909,-64.99252090,175.83358578,-179.16801234,-52.01787746
-59.78150581,194.11390470,211.63014224,265.38380946,-1.65170767,-0.82821884
-1.35392786

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445289/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.6553

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-1.74471

>  <SCORE.INTRA.DIHEDRAL>
-2.30022

>  <SCORE.INTRA.DIHEDRAL.0>
7.85942

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.5946

>  <SCORE.INTRA.VDW.0>
-2.60911

>  <SCORE.INTRA.norm>
-0.0758569

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.724143

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014087

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  205.2097  192.5326  245.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1932  192.9693  244.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0861  193.2547  245.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3901  192.9977  246.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6893  192.5380  246.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3556  193.3728  247.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1141  194.8066  247.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9332  195.1018  246.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4250  194.3633  246.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2693  196.3478  247.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9247  196.3352  247.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1259  197.3413  247.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8880  197.8217  247.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5320  198.8475  248.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5533  198.9272  249.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5128  198.0081  249.0619 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7856  199.7366  250.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9457  199.5861  251.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1233  200.3228  252.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1435  201.2237  252.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9985  201.4088  252.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8242  200.6711  250.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3398  202.1022  254.3962 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.0880  197.4184  247.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7240  198.5762  248.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3494  197.0255  248.3387 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8967  195.7724  248.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4472  195.5804  248.8455 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.9042  197.7351  248.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 27  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-57.22236573,102.99625818,149.62150581,179.23818234,200.50052061,197.13569976
248.90315160,-0.97542951,-0.35757441,0.89972675

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445306/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.83281

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-4.56719

>  <SCORE.INTRA.DIHEDRAL>
-10.6355

>  <SCORE.INTRA.DIHEDRAL.0>
15.7741

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.750549

>  <SCORE.INTRA.VDW.0>
-3.04359

>  <SCORE.INTRA.norm>
-0.163114

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.172601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  190.1789  215.9291  258.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3381  216.8370  258.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6074  216.4367  259.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5443  216.7660  257.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3794  217.7237  256.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9693  215.5296  256.6138 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0675  214.6721  255.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7056  213.2956  255.4824 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9964  213.4996  254.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3494  213.2622  253.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6358  213.8229  253.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0035  214.3342  254.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0225  214.1314  255.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8023  212.2185  256.4859 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6428  212.3947  257.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9889  212.9429  258.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6080  212.4760  259.1777 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7598  212.4172  257.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4906  211.6632  256.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1327  211.8544  260.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8054  211.4258  260.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3353  210.8617  261.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1887  210.7053  262.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5118  211.1137  262.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9704  211.6754  261.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9593  215.3398  256.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
115.48471429,109.13174229,-177.60030271,-56.31488813,-110.68538701,-64.52716314
-179.61973031,191.50084130,213.58249041,257.80037995,2.75762099,-1.07035272
-3.10167774

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445307/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.98399

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-6.41601

>  <SCORE.INTRA.DIHEDRAL>
-5.27553

>  <SCORE.INTRA.DIHEDRAL.0>
8.83023

>  <SCORE.INTRA.POLAR>
-0.665553

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.51536

>  <SCORE.INTRA.VDW.0>
-0.18816

>  <SCORE.INTRA.norm>
-0.25664

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.23936

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  209.2509  193.0481  249.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2859  192.1909  251.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0052  190.9873  251.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6734  190.6483  249.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6400  191.5052  248.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9325  192.7042  248.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4831  191.0790  247.3239 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.9794  190.1652  252.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6443  189.1154  252.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6581  188.2917  253.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9600  188.5926  254.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9949  187.7121  255.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7160  186.5242  255.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4268  186.1908  254.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3790  187.0779  253.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1697  184.9818  254.1140 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3679  184.1046  255.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9583  184.2501  256.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1348  183.0105  254.8472 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4047  182.0160  255.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4783  180.7993  255.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7784  181.2887  256.0758 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.1215  188.0683  256.8938 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.6782  184.8127  253.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3696  182.7951  253.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
179.36282624,2.10447397,-6.66014804,97.41939797,-60.58627371,210.88463768
187.34360082,253.23280899,1.79994676,1.02311316,-0.84319640

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445308/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.86165

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-1.53835

>  <SCORE.INTRA.DIHEDRAL>
-4.02679

>  <SCORE.INTRA.DIHEDRAL.0>
5.05282

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.475046

>  <SCORE.INTRA.VDW.0>
-0.4673

>  <SCORE.INTRA.norm>
-0.0668847

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.385289

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000374

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  191.0411  205.7633  256.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6969  205.4101  256.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3231  204.1463  256.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2838  203.1774  257.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6394  203.6029  257.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0104  204.8573  256.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8816  201.7042  257.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6925  200.9495  257.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8836  200.7408  255.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9247  202.0046  254.8999 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1981  201.7521  253.5367 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3774  202.1957  253.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3049  202.6827  254.0439 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8461  202.1289  251.9482 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0479  200.6959  258.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9241  200.2806  257.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9556  199.3575  257.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1008  198.7819  258.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1969  199.1102  259.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1867  200.0538  259.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3848  202.0980  254.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1470  203.6504  254.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8382  201.9498  251.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6005  202.9398  251.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
37.38293000,58.90947429,-61.21185386,-63.96272004,175.72330382,-112.32419230
44.10087820,-144.17200282,190.69779817,201.97387593,256.32428174,-2.97492443
1.26155508,-2.56792966

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445309/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.00545

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.67

>  <SCORE.INTRA>
-4.39455

>  <SCORE.INTRA.DIHEDRAL>
-4.99649

>  <SCORE.INTRA.DIHEDRAL.0>
8.3184

>  <SCORE.INTRA.POLAR>
0.09559

>  <SCORE.INTRA.POLAR.0>
-0.09559

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.2213

>  <SCORE.INTRA.VDW.0>
-2.41097

>  <SCORE.INTRA.norm>
-0.219727

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.450273

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016950

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  200.5065  203.0016  240.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5128  203.7066  242.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6758  203.7608  242.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8430  203.1042  242.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8278  202.4098  241.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6629  202.3551  240.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0493  203.2307  243.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2402  202.6780  242.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3892  202.8022  243.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4202  203.4079  244.9692 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7400  203.2973  245.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2727  203.9397  246.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7102  204.0687  246.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1241  203.8355  247.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4753  203.8924  248.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4291  204.1608  247.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0339  204.3893  246.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6760  204.3799  245.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2467  204.5996  244.3601 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2750  205.5631  244.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8756  206.4372  244.8275 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8033  205.4005  242.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8736  206.1355  241.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7714  205.5363  240.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6517  204.4814  240.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2839  204.3897  241.9205 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4776  202.4799  244.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6302  202.1011  244.3217 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5320  202.2267  243.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 29  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
-178.90778823,0.97415823,-134.71304270,55.75298102,13.07429461,-178.64596367
207.33016164,203.85609817,243.83690745,2.73521370,-0.29824929,-1.21980750

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445310/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.18595

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-6.21405

>  <SCORE.INTRA.DIHEDRAL>
-7.04443

>  <SCORE.INTRA.DIHEDRAL.0>
17.6411

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.69184

>  <SCORE.INTRA.VDW.0>
-1.82404

>  <SCORE.INTRA.norm>
-0.214278

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.178826

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000215

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  224.7804  187.0367  246.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2954  187.0537  246.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8558  188.4153  246.7005 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5304  188.6387  246.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7219  187.7781  247.2826 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2853  190.1394  246.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5668  190.8191  248.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.9446  191.3201  248.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7792  192.2593  248.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-179.95411692,3.04577398,-85.28808484,92.45117781,222.32235918,189.22964779
247.27696021,-1.21863239,0.04320940,0.29912100

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445312/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.00257

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-3.39743

>  <SCORE.INTRA.DIHEDRAL>
-6.0322

>  <SCORE.INTRA.DIHEDRAL.0>
8.25578

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.381331

>  <SCORE.INTRA.VDW.0>
0.114981

>  <SCORE.INTRA.norm>
-0.377492

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.666952

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066283

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  207.1612  198.8693  256.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1360  197.8556  255.6969 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.5144  198.3428  254.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9558  197.4529  253.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0896  196.4604  254.2074 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.5112  196.5756  255.5683 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5791  196.7029  254.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7587  195.6514  254.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9392  193.8801  254.1815 Si  0  0  0  0  0  0  0  0  0  0  0  0
  206.6777  193.2642  254.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6872  192.7934  255.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6267  193.9406  252.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3975  197.7069  256.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4167  196.7182  255.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0016  196.4844  257.0032 Si  0  0  0  0  0  0  0  0  0  0  0  0
  211.5312  195.8527  258.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0805  195.2252  256.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9012  198.1188  257.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-178.88492283,178.28790023,-62.42216746,68.83622473,-179.73491824,59.69153705
208.15657730,196.10130554,255.37801602,0.29756109,-0.41496523,-0.07127017

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445313/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.91721

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-1.48279

>  <SCORE.INTRA.DIHEDRAL>
0.175124

>  <SCORE.INTRA.DIHEDRAL.0>
0.0584147

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.57035

>  <SCORE.INTRA.VDW.0>
0.385859

>  <SCORE.INTRA.norm>
-0.0823771

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.550956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.101934

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  194.4711  205.9678  258.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9838  204.6349  258.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9286  203.8855  257.4317 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2998  202.6721  256.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4349  202.2151  256.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1457  202.0314  256.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0520  200.7947  255.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6920  200.6398  255.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0134  201.7591  255.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8901  202.6023  256.3411 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6306  201.7467  255.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3138  200.5653  254.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6445  199.4920  254.5505 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.2771  199.5577  255.6093 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.9268  198.8194  254.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6308  203.4932  256.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
179.60868190,-0.05242078,-179.63666239,-146.93738246,192.80421732,201.52930717
255.99369820,0.99801779,-0.18486487,0.48453243

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445314/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.53017

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-2.86983

>  <SCORE.INTRA.DIHEDRAL>
-5.76483

>  <SCORE.INTRA.DIHEDRAL.0>
7.23083

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0125856

>  <SCORE.INTRA.VDW.0>
-0.114557

>  <SCORE.INTRA.norm>
-0.191322

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.435345

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000190

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  225.3198  187.2202  247.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5557  186.5642  247.7786 C   0  0  2  0  0  0  0  0  0  0  0  0
  227.2500  185.2904  247.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1259  184.4887  248.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1260  183.8684  249.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6886  182.7766  250.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5363  183.0761  251.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3109  181.9500  252.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0793  180.6684  251.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4087  179.7656  252.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.6316  180.5314  250.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3178  181.4908  249.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5278  181.4975  248.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4390  182.9311  247.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9634  184.1918  248.8624 C   0  0  2  0  0  0  0  0  0  0  0  0
  226.0637  185.9515  249.0726 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.9756  186.7752  250.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1743  187.4675  249.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6890  187.5984  247.8990 C   0  0  1  0  0  0  0  0  0  0  0  0
  228.6119  187.2431  246.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8536  188.1198  246.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.8837  188.8471  246.7116 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.2499  188.9577  247.7111 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.9972  189.5728  247.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  3  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-176.31284709,179.88684190,226.84660700,184.70488820,249.01770500,0.87170691
0.97655619,0.12007485

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445315/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.64895

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-3.75105

>  <SCORE.INTRA.DIHEDRAL>
-5.56801

>  <SCORE.INTRA.DIHEDRAL.0>
5.72636

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.967044

>  <SCORE.INTRA.VDW.0>
0.524057

>  <SCORE.INTRA.norm>
-0.163089

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.115172

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000393

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  207.6713  193.1920  256.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8661  191.6688  256.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1865  191.2491  255.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2983  190.9599  256.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6741  190.9026  255.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7778  191.4627  256.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9481  193.0130  256.8676 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.5960  193.5731  258.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9852  194.9501  258.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5488  194.6299  257.8810 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.6396  193.6505  256.8272 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7342  195.8486  257.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4154  196.0395  258.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1993  195.3651  257.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2009  193.8368  257.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6635  193.4392  255.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9440  192.9847  255.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4819  192.2771  256.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5308  193.4477  254.4120 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8211  193.0713  253.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3648  193.7005  252.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6634  193.3864  252.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4169  192.4297  253.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8684  191.7702  254.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5776  192.0869  254.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0329  194.1778  253.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  6  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-62.57542175,-1.05191363,-174.18483321,212.99262136,193.16487468,256.04147717
2.89335608,0.28906129,0.46051459

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445316/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.16485

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-0.235154

>  <SCORE.INTRA.DIHEDRAL>
-0.784049

>  <SCORE.INTRA.DIHEDRAL.0>
0.911451

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.156871

>  <SCORE.INTRA.VDW.0>
0.774551

>  <SCORE.INTRA.norm>
-0.00940614

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.326594

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002207

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  208.9505  198.2458  255.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9169  199.2133  255.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0273  199.6076  254.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3029  200.8461  254.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5438  202.0869  254.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4787  201.0895  253.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0107  201.3783  252.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5190  200.5937  251.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
117.86743356,108.73612258,-61.32630822,210.88581020,200.36894482,254.21387894
-2.83019054,0.92581709,0.45524014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445317/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.53997

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.860032

>  <SCORE.INTRA.DIHEDRAL>
-1.1372

>  <SCORE.INTRA.DIHEDRAL.0>
1.62121

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.291435

>  <SCORE.INTRA.VDW.0>
-0.184615

>  <SCORE.INTRA.norm>
-0.122862

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.934281

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  190.7677  205.4671  257.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8789  205.8237  258.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1015  207.0674  258.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1915  207.8321  257.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2767  207.1983  259.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4531  208.3740  259.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5664  208.4264  260.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6430  209.6438  260.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7413  209.7348  261.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8295  210.9607  261.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0213  210.9697  262.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.1719  212.0190  263.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0298  212.9280  262.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.4190  211.8803  264.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5032  212.7968  264.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
0.37815445,-179.79059978,179.97428623,-179.26725914,-179.81425847,-179.83895386
-179.94042391,-179.99949485,0.36417336,-179.68257183,185.63925061,209.42291011
260.76986505,-0.01942437,-0.78573567,2.31924291

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445318/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.0813

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02667

>  <SCORE.INTRA>
-3.31873

>  <SCORE.INTRA.DIHEDRAL>
-4.88007

>  <SCORE.INTRA.DIHEDRAL.0>
4.88389

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.878696

>  <SCORE.INTRA.VDW.0>
2.01676

>  <SCORE.INTRA.norm>
-0.221249

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.805418

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.071706

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  214.4629  198.5370  246.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4736  197.3848  245.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0216  197.5310  244.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0294  196.4197  243.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4376  196.6051  242.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5787  195.1768  243.9134 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0635  194.9613  245.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6979  193.6319  245.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3198  193.4871  246.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1814  194.5481  247.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4105  195.8485  247.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9519  196.0636  246.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8701  194.0123  249.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8100  192.6415  248.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0470  192.3225  247.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6062  191.5001  249.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7740  194.7450  250.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9524  196.1410  250.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7935  196.8893  251.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5013  196.2434  252.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3418  194.8580  252.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4554  194.1131  251.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7220  192.4761  244.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7242  198.7876  244.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1377  198.8719  244.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7396  199.9266  244.7501 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7103  197.6563  244.8513 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4955  197.0497  246.1676 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.3699  195.5324  246.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7765  194.7671  247.5988 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.7724  193.0388  247.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6672  197.4641  247.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6838  198.0115  246.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4149  197.3022  248.3862 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5837  197.4449  244.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1501  197.6236  248.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 35  1  0  0  0  0
 28 29  1  6  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
79.03282740,2.41938863,-153.56123305,-87.07162247,143.47190271,-168.67235407
-10.85377227,-179.79083764,-176.36565748,215.02489718,195.70749343,247.07806204
-0.57952221,0.85175398,1.31008220

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445319/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.18319

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394118

>  <SCORE.INTRA>
-6.21681

>  <SCORE.INTRA.DIHEDRAL>
-6.84545

>  <SCORE.INTRA.DIHEDRAL.0>
11.8342

>  <SCORE.INTRA.POLAR>
0.424226

>  <SCORE.INTRA.POLAR.0>
-0.424226

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.23645

>  <SCORE.INTRA.VDW.0>
-3.2784

>  <SCORE.INTRA.norm>
-0.182847

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.21127

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000495

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  194.6918  210.4548  244.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8709  209.4237  245.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5860  208.5690  246.4593 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.5011  207.7513  247.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5948  207.5502  245.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8007  208.2013  245.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8833  207.1903  244.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4454  206.4778  245.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0141  207.1893  247.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4750  206.5160  248.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2975  205.1340  248.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7877  204.4131  247.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3843  205.0782  246.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0308  207.2999  249.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2420  207.7510  250.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7970  208.7452  250.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0619  209.2796  252.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7699  208.8206  252.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2293  207.7982  251.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9758  207.2426  250.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3003  209.4859  247.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7108  210.6895  247.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3474  211.5265  248.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5835  211.1655  249.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1864  209.9816  248.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5519  209.1521  248.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3692  212.1874  250.5203 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
172.14527029,66.59294200,38.50828804,170.70008365,-61.69100009,-56.73364307
93.44320522,-167.67410387,197.18879401,208.56163763,248.23729499,2.07867322
0.75784134,-2.28380486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445320/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1587

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-2.24131

>  <SCORE.INTRA.DIHEDRAL>
2.93325

>  <SCORE.INTRA.DIHEDRAL.0>
4.30226

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.70793

>  <SCORE.INTRA.VDW.0>
2.27916

>  <SCORE.INTRA.norm>
-0.0830114

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.413285

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002946

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 45  0  0  0  0  0  0  0  0999 V2000
  214.9022  192.4324  254.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5733  193.6607  253.6768 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0640  194.8454  254.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6697  195.9829  253.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9862  197.3008  253.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7170  197.5678  254.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1760  196.3984  255.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8563  195.0620  255.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5050  198.9537  255.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8511  199.2423  255.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6193  198.8414  257.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9820  198.5831  257.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7606  198.7964  258.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1224  199.0407  259.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7543  199.3065  259.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1451  199.4553  258.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4484  200.7704  257.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2294  201.4295  256.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1637  200.5409  255.3945 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1540  200.7553  254.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9380  201.3393  253.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9705  202.3588  253.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6861  202.7761  254.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1296  203.9875  254.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3432  204.3092  256.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1009  205.1989  256.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5758  203.4306  257.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0813  202.2238  256.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4127  201.6445  255.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9541  200.3841  255.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5836  204.0430  258.5422 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1227  203.4285  259.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6260  200.4628  252.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5308  199.2049  260.7909 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7605  198.7544  261.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0648  199.0357  257.9358 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6854  200.2326  258.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8280  195.7937  252.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0989  200.9921  251.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6917  194.8253  252.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 30  1  0  0  0  0
  9 10  2  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 30  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 23 29  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 33 39  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <CHROM.1>
179.80605654,-1.48146964,-133.33399096,122.24581826,-21.13597769,153.55925443
-171.30898983,216.41933133,199.66697299,256.21595403,-1.86879651,-0.81092072
0.29267517

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445321/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.566

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.273684

>  <SCORE.INTRA>
-4.834

>  <SCORE.INTRA.DIHEDRAL>
-5.70358

>  <SCORE.INTRA.DIHEDRAL.0>
14.9857

>  <SCORE.INTRA.POLAR>
-0.00229046

>  <SCORE.INTRA.POLAR.0>
-0.374402

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.97442

>  <SCORE.INTRA.VDW.0>
2.15802

>  <SCORE.INTRA.norm>
-0.127211

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.146474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011831

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  197.8847  206.9647  252.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2706  207.4821  251.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5024  207.3991  250.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3692  208.9586  252.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3214  206.7985  252.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4919  205.4507  252.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8144  204.7375  251.7848 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5265  204.9926  253.2850 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9265  203.6088  253.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2321  205.8545  254.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8045  206.7157  253.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
62.96563055,-0.06415883,-2.37984925,200.26111354,206.21831734,252.51023051
2.49408541,-0.70366936,0.22192594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445330/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39326

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.00673841

>  <SCORE.INTRA.DIHEDRAL>
-0.012165

>  <SCORE.INTRA.DIHEDRAL.0>
0.0514686

>  <SCORE.INTRA.POLAR>
0.000168205

>  <SCORE.INTRA.POLAR.0>
-0.381713

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0012278

>  <SCORE.INTRA.VDW.0>
0.982196

>  <SCORE.INTRA.norm>
-0.000673841

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.739326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.476320

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  197.2446  208.6399  246.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4967  209.5063  246.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9599  210.1559  244.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2201  211.0359  245.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0396  212.2543  245.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3235  209.1415  243.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5509  208.1962  243.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7764  206.9303  242.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6623  206.0611  242.6382 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4279  205.7012  243.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0949  205.4343  244.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7349  205.0562  245.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7134  204.9280  246.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0487  205.1732  246.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4084  205.5569  244.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9276  210.9726  244.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2446  211.3437  243.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.14056552,-64.29465430,8.14300434,-178.52215604,46.96067085,-61.83279373
150.42990020,198.65606240,207.89107639,244.74722502,1.09890270,1.11080300
0.48858774

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445331/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.63085

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-4.76915

>  <SCORE.INTRA.DIHEDRAL>
-5.42361

>  <SCORE.INTRA.DIHEDRAL.0>
6.79506

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.05735

>  <SCORE.INTRA.VDW.0>
2.26141

>  <SCORE.INTRA.norm>
-0.298072

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.414428

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000731

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  199.1215  217.6639  241.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9053  218.9339  241.4573 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.5892  218.3389  241.3792 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3276  219.7033  242.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1724  219.8065  240.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8881  221.2169  240.1150 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.5730  221.8635  238.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1338  223.2857  238.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6296  223.3548  238.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9339  222.8770  239.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3422  221.4408  240.1030 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.6867  221.1041  241.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5425  220.2932  241.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9389  219.9790  242.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4618  220.4783  243.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5779  221.3099  243.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1840  221.6212  242.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-151.80757580,164.48461070,-131.64801100,196.86381502,220.59646873,241.10061997
-1.93385100,0.60338986,-0.68210378

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445332/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.64977

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-0.750229

>  <SCORE.INTRA.DIHEDRAL>
1.38723

>  <SCORE.INTRA.DIHEDRAL.0>
1.01419

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.44384

>  <SCORE.INTRA.VDW.0>
-1.48674

>  <SCORE.INTRA.norm>
-0.0441311

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.449987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006432

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 38  0  0  0  0  0  0  0  0999 V2000
  188.0144  205.6454  258.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2819  206.2737  259.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4373  205.2803  259.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6555  204.8602  257.8974 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8823  204.0678  257.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5554  202.6468  257.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4857  202.5789  255.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4668  203.4612  255.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2375  203.5272  253.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8516  202.8274  253.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1076  204.4711  253.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3520  205.8801  253.7793 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2026  206.3699  255.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8758  205.6455  255.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5617  207.8843  255.2835 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3341  208.7483  254.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7955  208.6558  253.1981 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.0006  208.1225  256.6721 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3198  208.3267  256.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1740  208.3167  256.0861 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6657  208.5328  258.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4030  209.9710  258.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9027  210.3075  259.0642 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2784  209.5876  260.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9264  209.1982  261.2368 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9322  209.4603  260.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7693  211.7670  259.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8592  206.6381  258.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2149  207.8305  258.0355 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7319  205.6846  257.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.9064  204.0246  255.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4829  206.5173  253.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.7207  209.4536  253.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.3007  208.1013  257.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.5092  209.0544  261.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7816  211.9888  259.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0271  212.2542  258.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.7157  208.4818  258.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.3642  208.3087  257.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 35  1  0  0  0  0
 27 36  1  0  0  0  0
 27 37  1  0  0  0  0
 28 29  1  0  0  0  0
 29 38  1  0  0  0  0
 29 39  1  0  0  0  0
M  END
>  <CHROM.1>
-178.75797518,58.17846532,58.01086494,171.53219472,117.07122097,85.55513530
-59.86657999,-179.04271226,62.41906549,-75.86789767,85.84703027,-63.32507463
105.23099490,177.61438933,-80.66326758,72.81655955,71.36055635,23.66859507
-176.93815271,-176.32510798,-86.14457114,189.70127634,206.89661202,256.90017951
-1.84190342,1.15521965,-2.17476862

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445333/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.6857

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.875862

>  <SCORE.INTRA>
-11.7143

>  <SCORE.INTRA.DIHEDRAL>
5.96445

>  <SCORE.INTRA.DIHEDRAL.0>
9.96895

>  <SCORE.INTRA.POLAR>
-2.613

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0446359

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.03554

>  <SCORE.INTRA.VDW.0>
-4.15154

>  <SCORE.INTRA.norm>
-0.403943

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.471919

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020288

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 32  0  0  0  0  0  0  0  0999 V2000
  185.1628  217.9968  252.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3437  218.2611  251.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5369  217.5262  250.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2135  219.2956  251.5466 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2346  219.6955  250.5509 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6732  220.4145  249.1935 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.3533  222.0037  249.2921 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6389  222.5246  250.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0630  222.0466  250.8590 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2806  220.6472  251.3745 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.8046  220.5449  251.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1631  221.7108  250.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1721  222.8213  250.2916 N   0  0  1  0  0  0  0  0  0  0  0  0
  189.5942  223.4677  249.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3744  222.7003  248.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3896  222.3462  247.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5900  221.2223  246.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4500  220.7507  247.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6768  219.8319  248.2041 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.4104  219.7080  248.8158 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7515  220.5650  252.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2369  221.2666  253.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4871  221.2728  255.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2899  220.5548  255.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8303  219.8189  254.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5398  219.8522  252.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8695  219.3323  248.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 26  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-179.95534329,187.92261307,220.69299997,250.58488757,1.61929114,0.73675921
1.80369866

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445334/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.08721

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.207692

>  <SCORE.INTRA>
-3.31279

>  <SCORE.INTRA.DIHEDRAL>
-6.83833

>  <SCORE.INTRA.DIHEDRAL.0>
6.84766

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.106378

>  <SCORE.INTRA.VDW.0>
-0.299419

>  <SCORE.INTRA.norm>
-0.127415

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0802774

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000303

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  197.3459  218.7646  247.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6075  217.4609  246.9718 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5618  216.4323  247.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7859  215.9517  248.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1307  215.3586  249.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3280  214.1752  249.3688 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0930  216.3080  249.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4042  215.7853  249.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7551  217.6941  245.3970 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1809  218.2343  245.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0601  216.9731  245.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1324  215.7735  244.7317 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.7819  216.4567  244.3938 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5383  215.5622  244.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7901  214.1013  244.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7987  213.8388  245.8977 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.0771  214.7118  245.8510 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3643  213.9299  245.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3895  214.1984  245.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3547  212.8917  247.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3655  211.8078  246.6542 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.8927  212.3249  246.4095 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0183  212.2494  247.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1540  210.9699  248.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6109  210.8781  248.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0480  211.0828  249.9747 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4891  210.6396  247.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2375  211.3591  245.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8865  216.9227  242.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  2  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  6  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 27  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
-69.72179333,78.74667093,-56.64985685,-112.72049238,-179.10205351,198.43459564
214.58960787,246.79199233,2.72128454,1.49490827,-1.58694795

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445335/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49931

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-3.90069

>  <SCORE.INTRA.DIHEDRAL>
-4.38426

>  <SCORE.INTRA.DIHEDRAL.0>
7.93923

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.70855

>  <SCORE.INTRA.VDW.0>
0.196283

>  <SCORE.INTRA.norm>
-0.134506

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.224114

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004678

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  197.0637  213.4225  257.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6236  213.9057  258.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3471  214.4591  259.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5102  214.5378  257.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9426  214.0135  256.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2237  213.4754  256.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2607  215.0841  258.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6833  215.8025  257.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4739  216.3594  256.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8380  216.9111  255.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5243  217.0237  255.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8342  216.4715  256.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3572  215.8646  257.0755 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4586  216.5391  255.9458 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6163  217.3935  254.1067 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0205  215.8114  256.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1471  216.6780  254.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0943  217.4146  253.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5310  216.9627  254.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
147.49545130,-24.76861301,154.93125966,156.85802767,193.51264281,215.45787683
256.70898404,-0.59439394,0.27322801,-1.07028310

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445336/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.36705

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-0.0329461

>  <SCORE.INTRA.DIHEDRAL>
-0.330034

>  <SCORE.INTRA.DIHEDRAL.0>
3.63933

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.132071

>  <SCORE.INTRA.VDW.0>
-0.385859

>  <SCORE.INTRA.norm>
-0.00219641

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.62447

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000280

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  196.9561  223.0064  252.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4914  223.7985  253.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9247  224.7689  254.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0467  224.0533  255.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4669  225.0306  256.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5998  224.2890  257.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0221  225.2656  258.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1556  224.5249  259.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5836  225.5000  260.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7171  224.7594  261.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1492  225.7336  262.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2778  224.9939  263.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7129  225.9679  264.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8340  225.2297  265.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2700  226.2089  266.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3905  225.4791  267.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8110  226.4372  268.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9454  225.6518  269.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2305  225.4681  270.6312 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8005  225.1470  268.9478 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.2113  224.6324  269.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-169.62668690,-179.94219509,179.69072352,-179.97265413,179.99271250,179.71830545
179.99434951,179.78922239,179.76609076,179.83084225,179.70844948,179.89269497
179.99789741,179.60919785,-179.91649826,111.87579623,179.67071528,190.33253156
225.07982213,261.98446610,0.55739805,-0.81325202,-2.53934282

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445337/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.3407

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.07

>  <SCORE.INTRA>
-1.05925

>  <SCORE.INTRA.DIHEDRAL>
0.076704

>  <SCORE.INTRA.DIHEDRAL.0>
1.09622

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09761

>  <SCORE.INTRA.VDW.0>
-1.22399

>  <SCORE.INTRA.norm>
-0.0529627

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
1.01704

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024364

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  196.5909  196.3492  229.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6702  195.4039  230.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1769  196.0944  231.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2532  195.1485  232.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7614  195.8458  234.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8362  194.8999  235.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3433  195.6000  236.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4188  194.6543  237.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9372  195.3287  238.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7267  195.4907  239.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2494  196.1727  241.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0961  197.4010  241.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5997  198.0878  242.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4467  199.3147  243.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9489  200.0059  244.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8009  201.2317  244.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3393  201.9637  245.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2194  203.1746  246.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0262  203.2654  247.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9940  204.1490  245.2063 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8160  205.3076  245.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.92042815,179.90317097,179.93914416,-179.99233465,-179.96241670,-179.95409891
-119.68956067,-119.71724195,-179.94208094,179.78679590,179.87657285,179.88802698
179.84497245,-179.69458336,-109.46998053,-179.49599957,196.27297821,198.40354376
239.69144976,-1.77392098,1.24639698,1.25893518

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445346/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.8076

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.01905

>  <SCORE.INTRA>
-0.592377

>  <SCORE.INTRA.DIHEDRAL>
0.125179

>  <SCORE.INTRA.DIHEDRAL.0>
1.09627

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.654967

>  <SCORE.INTRA.VDW.0>
0.726037

>  <SCORE.INTRA.norm>
-0.0282084

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.990839

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.058631

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  194.2169  195.1773  242.7069 B   0  0  0  0  0  0  0  0  0  0  0  0
  194.6614  196.1633  243.9367 C   0  5  0  0  0  0  0  0  0  0  0  0
  195.9749  196.9665  243.6468 C   0  5  0  0  0  0  0  0  0  0  0  0
  196.7924  196.5886  241.9958 Si  0  0  0  0  0  0  0  0  0  0  0  0
  195.4182  195.0450  241.0669 Se  0  0  0  0  0  0  0  0  0  0  0  0
  197.0827  198.1346  240.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5115  195.9032  242.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9878  197.1752  244.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4971  195.6713  245.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2300  194.3697  245.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7199  194.5522  242.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5608  193.2536  241.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  2   2  -1   3  -1
M  END
>  <CHROM.1>
-155.55122894,57.41133900,195.50704765,195.60582513,242.47945286,-3.08200730
-0.62546302,-1.70930551

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445347/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.946

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.454002

>  <SCORE.INTRA.DIHEDRAL>
-0.54327

>  <SCORE.INTRA.DIHEDRAL.0>
2.08294

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.182367

>  <SCORE.INTRA.VDW.0>
-0.663801

>  <SCORE.INTRA.norm>
-0.0378335

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.578833

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.103350

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  195.9943  218.9113  261.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7055  219.4025  259.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8077  220.1985  259.3792 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5610  220.6559  258.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2292  220.0249  257.2641 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <CHROM.1>
179.88023431,-104.26104247,196.48265544,219.84030516,259.13440674,2.95655715
1.26408869,0.54607862

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445348/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.57405

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-0.825945

>  <SCORE.INTRA.DIHEDRAL>
-1.87856

>  <SCORE.INTRA.DIHEDRAL.0>
2

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.113336

>  <SCORE.INTRA.VDW.0>
-0.253485

>  <SCORE.INTRA.norm>
-0.165189

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.31481

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024431

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  219.1825  184.7526  247.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4805  185.5321  246.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9517  185.6988  245.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1302  185.0388  244.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8297  184.2707  245.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3637  184.1251  247.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9880  183.6349  245.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1443  186.5165  244.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5548  187.8772  244.1836 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1906  183.8193  244.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.4064  188.2177  245.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
92.69409439,-0.13552720,-61.06570755,219.65067409,185.32201031,245.53547385
0.74226374,-0.61211465,2.11039940

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445349/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09232

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.307675

>  <SCORE.INTRA.DIHEDRAL>
-0.129825

>  <SCORE.INTRA.DIHEDRAL.0>
0.792647

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.242763

>  <SCORE.INTRA.VDW.0>
0.152909

>  <SCORE.INTRA.norm>
-0.0341861

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.676925

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004515

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  203.2482  196.2649  245.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6051  197.3206  246.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1488  196.7117  247.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4972  197.7432  248.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0640  197.1002  249.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8738  196.7135  250.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5973  196.9890  250.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1487  196.4459  251.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7434  196.2970  251.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2992  195.7545  252.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8403  195.5937  253.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4603  196.3590  254.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9753  196.1820  254.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5887  196.9412  255.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1048  196.7602  256.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7383  197.5280  257.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2627  197.3803  257.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9456  198.1571  259.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6845  197.6635  260.1606 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9784  199.4962  258.8846 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7778  200.0166  259.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.97022232,-179.74119527,70.05280733,-179.24962136,-179.88174081,-119.80537197
-179.75854478,179.89792033,-179.71156778,-179.91780725,179.95359870,-179.96018987
-109.52460816,-179.93063418,196.37057807,196.99847883,253.14684156,0.23219581
-0.71394935,-2.88941352

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445350/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.3154

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.92

>  <SCORE.INTRA>
-2.08462

>  <SCORE.INTRA.DIHEDRAL>
-0.390044

>  <SCORE.INTRA.DIHEDRAL.0>
3.05354

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.8896

>  <SCORE.INTRA.VDW.0>
0.126186

>  <SCORE.INTRA.norm>
-0.104231

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.815769

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.055335

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  223.2345  196.4573  242.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8651  194.9921  241.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9729  194.4966  243.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6856  193.1239  242.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8875  192.4781  243.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8019  191.0990  243.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9764  190.3161  244.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2303  190.9157  245.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3055  192.2997  245.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1354  193.0868  244.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4776  192.8062  246.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8134  192.0066  247.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5244  194.1543  246.9637 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7544  194.8396  247.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0362  196.4883  248.0099 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.8665  194.0803  248.6225 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6900  194.4981  249.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9529  193.5898  250.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8062  194.0104  250.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3560  195.3356  250.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0439  196.1952  249.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1922  195.7874  249.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2363  195.9179  251.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9146  197.1939  251.3509 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9630  197.5341  252.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5072  196.4870  253.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3262  195.0402  252.6108 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.5440  196.6983  254.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0471  198.0010  254.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5090  199.0529  253.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4554  198.8295  252.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0585  198.2995  255.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1232  194.7678  246.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1355  193.1037  248.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 31  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
179.86012755,-179.74411694,-171.60419592,0.91323998,-176.13703887,176.54413695
215.89008652,194.93742910,248.56239037,-0.26334075,0.71756677,0.00171622

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445351/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.95832

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-1.44168

>  <SCORE.INTRA.DIHEDRAL>
-4.65665

>  <SCORE.INTRA.DIHEDRAL.0>
4.9238

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.886643

>  <SCORE.INTRA.VDW.0>
-0.732001

>  <SCORE.INTRA.norm>
-0.0450525

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.311197

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000099

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  198.5453  214.2594  245.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4310  214.4883  246.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9162  215.2276  247.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1632  216.6060  247.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5321  217.4157  248.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5808  216.8582  249.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3478  215.4677  249.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0279  214.6278  248.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7556  213.2238  248.8336 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6433  212.2078  248.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8177  212.3587  248.1741 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1949  210.7868  248.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9135  210.4087  249.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5836  209.0419  249.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5242  208.0496  248.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7963  208.4245  248.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1241  209.7790  248.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1752  206.3611  248.9775 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.9840  208.6348  249.7362 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.8611  217.4935  250.6796 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1257  218.6544  250.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0597  219.0613  248.8730 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.9699  212.9695  249.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-96.62416464,53.70319454,28.98462888,3.61952820,197.80107529,212.89929815
248.80283087,-1.40111309,-0.66003386,-3.04449531

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445352/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.49069

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-1.90931

>  <SCORE.INTRA.DIHEDRAL>
3.09887

>  <SCORE.INTRA.DIHEDRAL.0>
6.32331

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.45874

>  <SCORE.INTRA.VDW.0>
3.53533

>  <SCORE.INTRA.norm>
-0.0867868

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.340486

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000078

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  197.3015  198.1929  252.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3405  197.7929  251.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5305  198.5568  250.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5168  198.2041  249.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3251  197.0898  250.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1194  196.3008  251.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1321  196.6564  252.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4841  196.5364  248.8754 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.4654  197.5802  248.6977 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8975  195.2109  249.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5863  196.3965  247.4369 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2841  196.5086  246.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1949  197.6726  245.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5209  197.3670  245.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4555  198.3732  245.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0857  199.7011  245.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8035  200.0366  245.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8662  199.0275  245.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9745  200.6641  244.9409 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.5525  195.3161  247.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3678  195.6445  248.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9885  194.9428  249.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8337  195.3616  250.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4693  194.6951  251.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3764  195.1476  252.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6132  196.2327  251.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9774  196.9111  250.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0886  196.4768  249.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4875  197.1786  248.6687 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5926  196.8618  247.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9408  197.5704  246.9885 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5000  196.6919  252.3459 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0272  195.7288  253.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1834  195.2026  254.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1066  194.4767  253.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9698  197.9884  248.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
 21 30  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 35  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 36  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
64.35002690,154.87532041,-52.41629070,72.35973770,123.62532384,-118.31458005
199.07174468,196.93411162,249.25801723,-2.45116708,-0.12671253,-1.33157229

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445353/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.23724

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325714

>  <SCORE.INTRA>
-4.16276

>  <SCORE.INTRA.DIHEDRAL>
0.190316

>  <SCORE.INTRA.DIHEDRAL.0>
3.9827

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.25792

>  <SCORE.INTRA.VDW.0>
-4.5769

>  <SCORE.INTRA.norm>
-0.118936

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.206778

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000052

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  194.4172  222.0548  248.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2121  222.6998  250.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2296  221.6572  251.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0211  222.3038  252.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0487  221.2552  253.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8396  221.8939  255.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8724  220.8400  256.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6632  221.4707  257.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6896  220.4129  258.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4306  221.2497  260.5098 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.90182564,-179.64238726,-179.95120325,-179.83914710,-179.96837179,179.65538807
179.68667875,193.78195008,221.47986199,256.41375066,-1.00801481,-1.41926896
2.22460294

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445354/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.4007

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.24

>  <SCORE.INTRA>
0.000749985

>  <SCORE.INTRA.DIHEDRAL>
0.00150548

>  <SCORE.INTRA.DIHEDRAL.0>
6.36068e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.75415e-06

>  <SCORE.INTRA.VDW.0>
-1.02104

>  <SCORE.INTRA.norm>
7.49985e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.24007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006162

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  197.9151  194.2203  242.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8558  193.2467  243.3063 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7474  192.4745  243.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7369  192.6933  242.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9363  193.7276  241.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9984  194.5470  241.4322 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8014  193.7502  240.7390 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9858  192.7435  241.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5261  192.0743  242.1887 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4368  194.7977  239.8139 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.7370  196.0505  240.3530 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.9874  197.0124  239.1874 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4268  196.6571  238.7869 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6169  195.2627  239.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7887  196.8147  237.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1907  196.7415  237.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8928  195.1738  237.2832 P   0  0  0  0  0  0  0  0  0  0  0  0
  199.0793  195.4861  236.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3350  195.4801  238.8205 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5947  193.6062  237.4893 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0196  196.7921  238.1559 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3547  196.4969  241.5564 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7562  197.7671  242.3186 P   0  0  0  0  0  0  0  0  0  0  0  0
  192.3554  197.6488  242.8034 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7666  198.0326  243.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9819  199.0324  241.3793 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6606  191.5005  244.3442 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6274  195.2550  239.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6305  193.2841  236.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1502  197.4270  237.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5206  198.8477  244.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9086  199.0834  241.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3004  191.8630  245.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4743  190.8961  244.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  1  0  0  0
 12 13  1  0  0  0  0
 12 21  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
 27 34  1  0  0  0  0
M  END
>  <CHROM.1>
85.46457262,-83.18076614,-178.11347860,177.56334730,167.52142338,70.38371081
156.78735235,88.29193571,43.42658466,61.20739481,174.87659290,-50.48982173
195.70875782,195.37228167,240.41380063,-2.40967381,0.79889083,-0.94962399

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445355/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.39105

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-11.0089

>  <SCORE.INTRA.DIHEDRAL>
-4.46778

>  <SCORE.INTRA.DIHEDRAL.0>
11.5708

>  <SCORE.INTRA.POLAR>
-1.55546

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.4865

>  <SCORE.INTRA.VDW.0>
-1.6549

>  <SCORE.INTRA.norm>
-0.407739

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0515204

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016774

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  196.6634  213.2471  249.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2282  212.9150  247.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0618  211.3831  247.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8734  213.5942  247.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6238  213.5556  246.2785 Si  0  0  0  0  0  0  0  0  0  0  0  0
  197.1848  212.9758  244.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7716  215.4033  246.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1567  212.8780  246.6721 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3711  211.4292  246.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8395  211.0657  246.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3380  211.2760  248.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7256  212.7175  248.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7890  213.1833  247.9842 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6898  213.4134  248.8824 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8680  215.0522  249.1981 Si  0  0  0  0  0  0  0  0  0  0  0  0
  201.5316  215.9913  247.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2047  215.7506  249.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1721  215.3755  250.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1885  216.8776  251.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7024  214.5619  251.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5834  214.9180  250.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4465  213.2311  247.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
173.50179695,63.45478089,169.37872835,71.82861013,-84.00028221,-80.35524167
179.95361494,50.83223637,-174.18517587,199.65423511,213.76328484,248.18107113
2.53063691,0.25112548,-2.46387947

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445356/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.15251

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.685714

>  <SCORE.INTRA>
-6.24749

>  <SCORE.INTRA.DIHEDRAL>
-0.535151

>  <SCORE.INTRA.DIHEDRAL.0>
5.43653

>  <SCORE.INTRA.POLAR>
-0.999888

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.5803

>  <SCORE.INTRA.VDW.0>
-0.906537

>  <SCORE.INTRA.norm>
-0.297499

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.388215

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017654

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  208.4289  200.5089  239.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5564  199.6729  240.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4411  199.8613  241.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2550  198.8740  242.5397 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2646  198.0639  242.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7954  198.5103  240.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7597  197.7830  240.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2238  196.6290  240.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7330  196.2021  242.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7732  196.9386  242.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4050  195.1440  242.9324 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4726  193.8040  242.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1319  195.9867  240.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5158  195.0119  240.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4490  200.8767  241.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7061  201.8065  241.0779 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0835  200.6510  243.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0971  201.6026  243.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
0.09642474,-176.70180997,58.49723142,-179.88812318,208.15173393,198.22389232
241.61046746,0.50446175,-0.73444027,-0.78573482

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445357/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.74538

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
0.345375

>  <SCORE.INTRA.DIHEDRAL>
3.52125

>  <SCORE.INTRA.DIHEDRAL.0>
0.00352841

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.41525

>  <SCORE.INTRA.VDW.0>
2.47279

>  <SCORE.INTRA.norm>
0.0191875

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.54141

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000364

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  192.1027  212.9422  260.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9601  213.7253  259.1300 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9337  213.2279  258.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5879  213.8659  258.5893 P   0  0  0  0  0  0  0  0  0  0  0  0
  195.1107  213.6662  257.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9993  215.3933  258.6059 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1517  214.4691  259.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5958  213.5228  258.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2174  214.8719  257.4165 P   0  0  0  0  0  0  0  0  0  0  0  0
  188.7574  214.4206  257.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1693  215.9753  258.6202 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8596  216.1472  256.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9501  214.0666  261.8057 P   0  0  0  0  0  0  0  0  0  0  0  0
  192.9530  215.0535  261.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5074  214.6350  261.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8058  215.1295  263.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5776  215.6077  259.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7156  213.6688  259.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.5577  216.7085  258.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7087  216.6098  256.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6545  215.2617  260.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7116  215.2019  263.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <CHROM.1>
139.88652715,-48.84288325,-76.39867996,161.38782244,-158.70543703,83.99985759
-133.48083721,-171.72066256,-150.54480807,149.48378666,-77.08200294,157.25541905
192.13593480,214.46838370,259.19336155,0.41908622,-0.17641335,1.60973219

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445358/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.1984

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-12.5984

>  <SCORE.INTRA.DIHEDRAL>
-5.33095

>  <SCORE.INTRA.DIHEDRAL.0>
19.4643

>  <SCORE.INTRA.POLAR>
-1.99914

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.13584

>  <SCORE.INTRA.VDW.0>
0.0226083

>  <SCORE.INTRA.norm>
-0.7874

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
-0.0748999

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026350

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  203.0233  198.2624  243.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4597  197.4178  244.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3592  195.9273  244.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1988  195.5353  243.2432 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6917  196.3535  242.0257 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7217  197.8647  242.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6199  196.0069  240.5229 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.0397  194.1208  243.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3383  193.6169  242.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3173  194.6071  243.3672 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5702  195.8136  243.5359 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8995  194.2230  244.7470 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.9415  193.1029  244.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2638  193.5268  244.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8324  194.7176  244.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8643  195.8804  244.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5209  195.4532  245.3810 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.9165  196.2834  245.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4936  195.4153  246.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
73.70312457,205.66256317,195.48356205,243.42926175,3.00082730,0.57878699
-2.07591347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445359/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79583

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-0.604166

>  <SCORE.INTRA.DIHEDRAL>
0.65626

>  <SCORE.INTRA.DIHEDRAL.0>
0.0410087

>  <SCORE.INTRA.POLAR>
-0.180799

>  <SCORE.INTRA.POLAR.0>
-0.0883166

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.31758

>  <SCORE.INTRA.VDW.0>
-0.649511

>  <SCORE.INTRA.norm>
-0.0355392

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.340931

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009667

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  186.9681  214.0063  257.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5692  213.5308  256.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4660  214.9829  254.9804 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.0039  215.7655  255.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9747  216.7310  256.4370 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.6215  217.0450  256.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8333  216.2621  255.7237 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.6905  215.4743  255.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3447  214.5549  254.1525 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0304  214.9800  257.9575 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4049  215.5239  259.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4043  215.0040  259.8587 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4721  215.8124  260.9910 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5078  216.8151  260.9605 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8434  216.6285  259.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8120  217.3922  259.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.0113  214.8223  253.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.7053  213.6099  254.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.5358  218.2140  259.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.6506  217.4587  258.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
56.97620470,-174.42745847,-72.83497740,93.13980335,-109.05993147,-11.46049232
-174.72324824,185.55711699,215.61360334,257.33230046,-1.06484103,0.61407752
-2.02587989

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445360/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.12308

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.775

>  <SCORE.INTRA>
-6.27692

>  <SCORE.INTRA.DIHEDRAL>
2.10115

>  <SCORE.INTRA.DIHEDRAL.0>
4.08197

>  <SCORE.INTRA.POLAR>
-1.90182

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.861315

>  <SCORE.INTRA.VDW.0>
0.275708

>  <SCORE.INTRA.norm>
-0.392307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.382693

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  189.0619  206.3905  260.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1937  205.5684  260.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9156  205.1050  258.5999 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.1862  204.5650  257.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3522  203.3851  257.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0954  205.5172  257.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8375  204.1002  258.5876 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7922  207.7078  259.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9815  208.5474  260.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7218  208.7376  258.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5109  208.2038  257.7545 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7713  209.5798  259.1729 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7203  209.8978  258.2942 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.7171  209.3841  257.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5540  210.6885  258.7360 O   0  5  0  0  0  0  0  0  0  0  0  0
  192.8863  205.1604  257.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.6664  203.6994  257.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.9647  204.5364  258.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.5746  208.1799  257.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0476  207.3773  257.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8119  209.9712  260.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
-63.06650242,-62.75181278,167.44691568,111.10119383,-175.00073758,-178.62669435
107.46923549,43.10981136,-1.44363570,190.93716025,207.16147061,258.69811662
2.08977950,-0.62415823,-2.84289181

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445361/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.88697

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.893333

>  <SCORE.INTRA>
-4.51303

>  <SCORE.INTRA.DIHEDRAL>
-0.606885

>  <SCORE.INTRA.DIHEDRAL.0>
2.94018

>  <SCORE.INTRA.POLAR>
-0.849267

>  <SCORE.INTRA.POLAR.0>
-0.150733

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.32208

>  <SCORE.INTRA.VDW.0>
-0.73826

>  <SCORE.INTRA.norm>
-0.300869

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.592465

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002515

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  206.6465  192.1644  245.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6630  193.3030  245.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0134  194.4322  244.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4013  192.9115  245.6682 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2713  193.7527  245.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0961  193.2497  246.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9983  194.0949  246.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0655  195.4334  246.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1830  195.9066  245.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2792  195.0674  245.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9895  196.2483  246.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8947  197.6002  246.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6913  198.2831  245.6411 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6736  198.1784  246.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4614  199.5552  246.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3782  200.1667  247.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4942  199.4296  248.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7366  198.0604  248.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7945  197.4289  247.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5100  200.1458  248.8748 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6422  199.6258  249.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3949  198.3458  250.0288 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7365  200.4281  250.2744 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3164  191.9944  246.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1595  197.7242  249.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1434  197.9656  250.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8601  199.9300  250.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0756  200.7850  251.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
>  <CHROM.1>
-173.67848708,-179.40749231,-1.84553129,175.96716111,-178.39707576,-59.31352714
147.08065415,200.00780075,196.67823463,246.93697887,0.38880056,-0.53042491
2.79886321

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445370/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.25066

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-3.14934

>  <SCORE.INTRA.DIHEDRAL>
-6.93251

>  <SCORE.INTRA.DIHEDRAL.0>
8.06558

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.316914

>  <SCORE.INTRA.VDW.0>
-0.456027

>  <SCORE.INTRA.norm>
-0.136928

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.402203

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004840

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  219.0636  184.1407  248.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4820  185.3511  248.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0807  186.5458  247.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2742  186.5357  247.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8505  185.3150  246.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2232  184.1067  247.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7198  182.9071  246.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1691  182.1207  245.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3905  181.0900  246.0268 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8658  180.3710  245.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0742  180.5569  243.7113 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8896  181.5628  243.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4535  182.3827  244.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1198  181.7968  242.0352 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2544  188.0743  248.3196 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.4130  187.9197  249.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1978  189.1608  248.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2189  188.1972  247.0078 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2926  182.3536  247.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.2353  181.6937  241.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.8373  181.1847  241.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7633  188.2587  246.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5537  187.4245  247.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <CHROM.1>
27.48319256,70.10590888,-95.07660243,41.28750025,-62.71115408,219.25715395
184.68500833,246.56457237,-2.82478541,1.37970969,-1.33397226

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445371/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.3233

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-2.0767

>  <SCORE.INTRA.DIHEDRAL>
-2.59518

>  <SCORE.INTRA.DIHEDRAL.0>
5.11464

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.779108

>  <SCORE.INTRA.VDW.0>
-1.46852

>  <SCORE.INTRA.norm>
-0.115372

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.462406

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005973

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  218.1366  182.0602  238.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5765  182.7469  238.2538 P   0  0  1  0  0  0  0  0  0  0  0  0
  219.4720  184.1988  237.9210 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1869  182.4308  239.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5259  180.9593  240.1494 P   0  0  1  0  0  0  0  0  0  0  0  0
  219.4124  180.1574  240.7237 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3335  180.3233  238.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7326  180.3520  237.4832 P   0  0  1  0  0  0  0  0  0  0  0  0
  219.6544  179.3744  237.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4138  181.8798  237.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0470  180.1095  236.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6856  181.2096  241.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1943  181.1099  238.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.7454  180.7548  236.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.4184  181.7345  240.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  6  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  1  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  6  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.64415180,-54.33042588,-54.17435251,220.27807981,181.32207518,238.63708003
1.55790632,1.03829025,-1.67226736

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445372/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.89385

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-1.50615

>  <SCORE.INTRA.DIHEDRAL>
-2.54535

>  <SCORE.INTRA.DIHEDRAL.0>
2.64792

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.233469

>  <SCORE.INTRA.VDW.0>
-0.113149

>  <SCORE.INTRA.norm>
-0.125512

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.324488

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.582425

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  214.0389  205.8713  245.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4613  206.7659  244.3814 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5291  206.1743  242.9420 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.0035  207.2948  242.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1767  207.4569  240.4573 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.3351  208.1686  242.8874 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4523  207.8815  244.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8760  208.4662  245.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5758  204.9923  242.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7851  204.0118  242.8158 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4358  206.4201  246.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3495  205.9598  247.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6860  207.4728  247.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7819  208.9463  242.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0442  207.8147  246.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  1  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  3  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
161.33014475,-106.12790061,-5.95478680,213.91306793,206.79688228,243.99098061
-0.91129809,1.45917368,-2.17092315

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445373/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.85831

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-1.54169

>  <SCORE.INTRA.DIHEDRAL>
1.40197

>  <SCORE.INTRA.DIHEDRAL.0>
1.1884

>  <SCORE.INTRA.POLAR>
-0.705806

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.157064

>  <SCORE.INTRA.VDW.0>
-0.108841

>  <SCORE.INTRA.norm>
-0.118592

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.450639

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013716

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  190.9081  210.9313  260.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5887  212.0304  259.5868 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4811  212.3038  258.2646 P   0  0  0  0  0  0  0  0  0  0  0  0
  193.3962  212.4905  258.5330 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.9883  211.0700  257.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4394  210.9513  256.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7141  213.5705  257.5832 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6953  214.8008  258.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3563  215.0382  259.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5650  216.3458  259.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0744  217.4038  259.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2785  217.1654  257.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0889  215.8514  257.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5414  219.0537  259.4936 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.6256  219.9820  258.8807 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8932  219.1068  260.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9903  219.2003  258.6500 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6788  218.5388  259.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8255  219.1323  257.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
-55.26866985,175.27264860,66.75344360,1.77943873,-161.98009085,-63.67589414
191.44286651,215.02167665,258.69916466,-1.56469446,-1.07487831,0.16513300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445374/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.94232

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-2.45768

>  <SCORE.INTRA.DIHEDRAL>
-5.21656

>  <SCORE.INTRA.DIHEDRAL.0>
6.64582

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.150601

>  <SCORE.INTRA.VDW.0>
-2.21009

>  <SCORE.INTRA.norm>
-0.144569

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.526019

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005954

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 46  0  0  0  0  0  0  0  0999 V2000
  197.3825  213.1875  247.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2314  212.2911  248.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1462  210.9771  248.0683 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8934  210.4126  249.2836 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8622  211.3768  250.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1378  212.5943  249.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2102  213.7187  250.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9441  213.5657  251.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6645  212.3056  252.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6364  211.1904  251.6166 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4731  212.1043  253.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2276  210.8234  254.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1883  210.5988  255.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3782  211.6554  256.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5673  212.9419  256.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6014  213.1639  254.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5675  215.0629  250.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0173  216.0420  250.5251 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5741  215.1367  249.1035 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0514  216.4149  248.6010 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.4615  216.7123  249.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5748  216.8115  250.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3108  215.2412  251.5541 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.3611  215.8593  253.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0406  216.3382  247.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3571  217.1039  246.2697 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6158  216.6043  245.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1295  217.0140  243.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5419  216.3206  242.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4217  215.2394  242.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9173  214.8149  243.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4911  215.5261  245.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7626  215.3895  246.4147 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6920  209.0013  249.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7717  208.1772  248.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5983  206.7944  248.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3356  206.2277  249.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2414  207.0386  250.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4226  208.4182  250.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1000  214.3151  248.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.3452  214.6756  246.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  1  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 33  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 41  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <CHROM.1>
1.29116689,143.56408802,-178.17288231,109.21151579,-60.83466300,119.72747973
67.94170045,-174.37060746,197.88326076,213.20337687,249.64190557,0.68715011
-1.21791786,-1.76865458

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445375/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.0333

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.34359

>  <SCORE.INTRA>
-2.36671

>  <SCORE.INTRA.DIHEDRAL>
-2.6576

>  <SCORE.INTRA.DIHEDRAL.0>
10.1123

>  <SCORE.INTRA.POLAR>
0.053074

>  <SCORE.INTRA.POLAR.0>
-0.053074

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21836

>  <SCORE.INTRA.VDW.0>
-3.62711

>  <SCORE.INTRA.norm>
-0.0606848

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.282905

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  182.4959  212.5578  250.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5016  212.3688  252.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2893  213.6974  252.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1331  214.7828  252.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7073  214.7262  251.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6001  213.5153  250.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4459  215.9186  250.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4401  216.8536  251.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4724  216.2429  253.1278 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.0686  218.0561  252.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8279  218.5198  251.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6197  219.7626  251.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4125  220.1356  250.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2051  221.2808  250.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2018  222.0558  251.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4137  221.6849  252.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6173  220.5343  252.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0349  223.2744  251.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0666  223.9875  252.4133 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1344  216.0815  249.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6434  216.2100  248.5062 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <CHROM.1>
2.24616370,179.15790192,179.98853505,185.32392484,217.63862971,251.44914118
-2.61353489,0.91631950,0.93288816

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445376/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.36511

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-6.03489

>  <SCORE.INTRA.DIHEDRAL>
-12.4853

>  <SCORE.INTRA.DIHEDRAL.0>
12.5537

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.207747

>  <SCORE.INTRA.VDW.0>
-0.588636

>  <SCORE.INTRA.norm>
-0.287376

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.112624

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000512

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  215.0933  183.6757  240.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7638  183.4880  240.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3501  183.8166  241.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2708  184.3465  242.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5949  184.5180  242.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0146  184.1847  241.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5363  185.0677  243.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7351  185.0773  243.1915 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0030  185.5508  244.6746 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6750  185.3404  245.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9417  185.7682  246.4924 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.8645  184.7193  244.1298 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9828  186.2116  245.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9888  187.7456  245.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6748  188.4776  245.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8214  188.5852  244.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6056  189.2638  244.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2296  189.8380  245.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0498  189.7415  246.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2701  189.0622  246.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0670  190.4957  245.8570 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.8993  184.5766  244.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
96.17296175,55.78028793,-85.81482774,214.84398970,186.44540997,244.34064572
1.37555714,0.30841722,-2.40337223

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445377/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.66968

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.73032

>  <SCORE.INTRA.DIHEDRAL>
-0.147883

>  <SCORE.INTRA.DIHEDRAL.0>
3.05525

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.65637

>  <SCORE.INTRA.VDW.0>
-0.148814

>  <SCORE.INTRA.norm>
-0.130015

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.269985

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  211.2064  270.7181  220.2477 B   0  0  0  0  0  0  0  0  0  0  0  0
  212.0679  269.4521  219.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8204  268.9295  218.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5467  267.8451  218.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5239  267.2517  218.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7731  267.7341  220.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0576  268.8338  220.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3492  269.2465  222.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8146  270.6476  222.1823 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6647  271.1702  223.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2329  270.7660  221.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4146  270.5617  220.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6837  271.3310  219.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8538  271.1312  217.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7548  270.1675  217.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4864  269.4015  218.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3167  269.5949  219.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8631  270.5733  220.8012 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8489  272.0292  220.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0212  270.4068  221.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.5516  271.9189  221.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
83.94312456,83.75504068,-61.19073722,-61.58506684,161.09827142,70.63605802
54.42649091,213.59102199,269.91628860,220.09476413,2.52228472,0.14014592
1.01725772

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445386/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.10243

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-7.29757

>  <SCORE.INTRA.DIHEDRAL>
0.536781

>  <SCORE.INTRA.DIHEDRAL.0>
3.08217

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.16596

>  <SCORE.INTRA.VDW.0>
-1.73525

>  <SCORE.INTRA.norm>
-0.384083

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.163286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  208.0080  203.5048  244.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9102  204.4671  244.5571 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7302  204.8551  245.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1267  205.6600  243.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7167  205.4807  242.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2383  205.1441  242.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9900  203.8202  242.6199 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6574  203.5088  242.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6745  203.8751  241.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3468  203.5133  242.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9688  202.7834  243.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9602  202.4151  244.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2941  202.7736  243.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5506  202.4779  243.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4991  202.7895  242.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2313  202.3527  242.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3630  201.7042  244.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0052  201.6077  244.6969 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.3168  201.1482  245.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1191  201.2040  244.7724 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7195  200.5366  246.2020 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0060  202.5407  242.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8377  203.1505  241.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6966  203.6276  240.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5377  203.1790  240.7211 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6990  200.4490  246.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0224  200.1507  246.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1910  202.1483  242.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0664  202.3081  240.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9891  203.8777  241.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <CHROM.1>
82.85510927,59.97864004,-70.61390908,171.28357832,40.14947566,2.40345194
1.82098481,-1.09057037,-64.02091498,200.81015685,203.05986459,243.34812087
-0.06190435,0.23272935,2.05455458

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445387/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.618

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.576

>  <SCORE.INTRA>
-2.78201

>  <SCORE.INTRA.DIHEDRAL>
-0.7494

>  <SCORE.INTRA.DIHEDRAL.0>
4.91678

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.40731

>  <SCORE.INTRA.VDW.0>
1.83717

>  <SCORE.INTRA.norm>
-0.111281

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.464719

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000593

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  206.8328  211.3759  253.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0239  210.2363  253.4235 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7079  209.2287  252.5929 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.2797  209.8285  251.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3713  210.8790  250.6185 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.0976  211.3274  251.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8031  210.5457  252.6578 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3240  209.1406  252.3673 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.5499  208.2935  252.3221 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7468  208.5050  251.1584 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9820  210.3986  249.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9874  210.2838  248.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1390  210.6707  248.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4999  209.6853  247.1011 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0799  208.2259  247.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9000  208.0752  248.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4005  210.5129  246.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1994  210.7806  247.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1633  211.4707  246.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3185  211.9299  245.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5181  211.7088  244.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5589  211.0084  245.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0616  208.4866  249.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  6  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8 10  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-66.45880502,-7.05660668,-66.45667625,69.56921949,-58.63002775,-60.75701244
205.59205329,210.15353130,249.40210801,1.39310637,-0.30429145,1.65324702

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445388/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.00201

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-7.39799

>  <SCORE.INTRA.DIHEDRAL>
-3.72029

>  <SCORE.INTRA.DIHEDRAL.0>
6.38676

>  <SCORE.INTRA.POLAR>
-1.47513

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.522422

>  <SCORE.INTRA.VDW.0>
-1.35648

>  <SCORE.INTRA.norm>
-0.336272

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.136455

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.111650

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  212.0405  206.9869  252.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0025  205.9079  252.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6671  206.2603  252.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6737  205.2854  252.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0335  203.9375  252.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3560  203.5776  252.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3389  204.5598  252.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3154  205.5814  252.0686 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7176  206.8292  252.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2973  207.9070  252.1631 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2143  206.8146  251.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8243  206.5241  250.0091 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.8544  205.1354  249.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1168  205.4503  249.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0082  204.4496  248.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6486  203.1118  248.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3981  202.7814  249.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5036  203.7867  249.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6722  204.7952  252.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-6.37939659,-76.89092953,47.27538768,-91.74405219,207.76937779,205.40539326
251.10543878,0.30531992,-0.41595907,0.59271563

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445389/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.04992

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-4.35008

>  <SCORE.INTRA.DIHEDRAL>
-0.0792569

>  <SCORE.INTRA.DIHEDRAL.0>
3.74971

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.31045

>  <SCORE.INTRA.VDW.0>
1.09243

>  <SCORE.INTRA.norm>
-0.241671

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.280551

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  194.7155  204.7757  250.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0045  206.0908  250.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6097  206.1255  250.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9349  207.3436  251.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6497  208.5504  251.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0476  208.5155  251.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7169  207.2942  250.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9419  209.7856  251.2110 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3638  211.0789  250.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3764  211.9072  251.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3660  211.0656  251.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6582  209.7703  251.6941 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1523  211.4817  252.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1724  210.7573  252.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2017  212.7581  253.2082 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1254  213.3158  254.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6404  213.8786  255.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2062  212.8046  256.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6611  212.6724  256.1603 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0770  211.6377  255.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5899  211.7868  254.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1201  210.7181  253.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7859  209.3104  254.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2917  209.1512  254.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7650  210.2094  255.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4507  213.3123  251.3690 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0061  214.0024  251.3485 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.6088  213.8355  252.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9392  215.2968  250.7004 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9126  212.9193  250.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9911  213.4621  249.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7326  212.6437  248.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3654  211.3099  248.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2572  210.7885  249.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5321  211.5672  250.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3775  214.1000  250.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0707  213.2659  253.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0622  212.4634  257.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 35  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  0  0  0  0
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 27 30  1  0  0  0  0
 30 35  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-162.85754138,161.23015798,128.11543979,-65.86834392,95.55503449,-92.94966131
168.41834745,192.08137325,211.16800942,252.16511183,0.57370548,-0.82209481
2.97995331

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445390/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.49147

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.344444

>  <SCORE.INTRA>
-4.90853

>  <SCORE.INTRA.DIHEDRAL>
3.99445

>  <SCORE.INTRA.DIHEDRAL.0>
5.13144

>  <SCORE.INTRA.POLAR>
-0.532922

>  <SCORE.INTRA.POLAR.0>
-0.0693401

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.09382

>  <SCORE.INTRA.VDW.0>
-1.51138

>  <SCORE.INTRA.norm>
-0.136348

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.208096

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 35  0  0  0  0  0  0  0  0999 V2000
  199.4849  211.1225  259.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3307  210.3097  258.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8633  210.9875  257.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8038  210.3888  257.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2177  209.4004  257.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3604  211.1803  255.8215 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.3069  212.2438  256.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4460  212.0160  257.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4707  212.9444  257.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3220  214.1203  256.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1272  214.3456  255.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1054  213.4190  255.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7826  213.7664  254.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5382  211.6604  255.0549 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1234  210.6674  254.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0239  211.1224  252.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6388  211.4733  252.3475 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7802  210.2756  252.1874 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6278  210.3861  253.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3381  209.3020  254.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2705  209.3472  254.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4530  210.4689  254.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7112  211.5467  254.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7848  211.5019  253.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9356  212.6019  252.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2616  210.1283  250.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9081  209.0715  250.2258 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3393  211.3265  250.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8990  211.3056  248.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0536  212.7099  248.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3198  213.0282  253.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2714  211.9645  255.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6418  211.9669  251.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6397  212.4326  251.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  1  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  6  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.09475903,4.63944255,-90.08882531,-27.54172469,82.38855901,10.90934901
117.03898720,-53.10303965,-74.55750496,121.85171904,-129.01000702,155.84442452
5.62231166,179.22686548,179.95260920,195.51161959,211.37466572,254.29983104
-1.30116629,0.43560693,-1.70785670

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445391/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.91118

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.613333

>  <SCORE.INTRA>
-20.3112

>  <SCORE.INTRA.DIHEDRAL>
-6.76652

>  <SCORE.INTRA.DIHEDRAL.0>
16.6811

>  <SCORE.INTRA.POLAR>
-3.04929

>  <SCORE.INTRA.POLAR.0>
-0.210148

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.56033

>  <SCORE.INTRA.VDW.0>
-1.46804

>  <SCORE.INTRA.norm>
-0.677039

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.063706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  201.9545  190.4463  242.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2274  190.3129  243.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2241  191.2813  244.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5012  191.1554  245.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4590  192.1106  246.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7093  191.9855  247.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6035  192.9084  248.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7923  192.7119  249.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8713  191.2963  249.8695 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.2343  191.0369  250.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7539  191.0702  250.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3761  190.8845  250.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3073  189.6468  249.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9355  189.5700  248.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8271  188.3871  247.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5855  188.4800  246.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-179.90474293,-178.74912543,178.73288005,-177.39185619,175.28538821,-63.08127844
166.36228502,73.84104262,62.63550188,-176.42730505,178.69864308,-119.88505851
204.58734049,190.83833206,247.44558087,-2.30496865,0.74799852,1.96375043

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445392/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.7421

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.0875

>  <SCORE.INTRA>
-0.657892

>  <SCORE.INTRA.DIHEDRAL>
1.74014

>  <SCORE.INTRA.DIHEDRAL.0>
0.179488

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.52796

>  <SCORE.INTRA.VDW.0>
-0.324761

>  <SCORE.INTRA.norm>
-0.0411183

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
1.04638

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010499

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  200.3952  206.3701  244.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8617  207.7821  244.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1467  208.0454  244.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5189  209.4866  244.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6974  210.4873  244.6268 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3986  210.1836  244.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3784  210.9963  244.1302 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3459  210.1562  243.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6459  208.8546  243.8612 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9681  208.8555  244.1561 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7170  210.6809  243.4810 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.1629  209.4554  242.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0851  209.4158  241.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8898  209.7032  239.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1354  209.5354  239.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0502  209.1657  240.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4098  209.0934  241.2773 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4618  208.8900  239.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0417  208.9306  238.8017 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0840  208.5849  241.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4844  208.3323  240.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9630  209.7808  245.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
145.20283170,-56.97560088,-116.86790916,-1.32540453,-179.03160381,199.67287928
209.28143634,242.54999861,0.60224622,-0.25649765,1.40792805

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445393/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.58098

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-2.81902

>  <SCORE.INTRA.DIHEDRAL>
-0.896281

>  <SCORE.INTRA.DIHEDRAL.0>
2.47362

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.37088

>  <SCORE.INTRA.VDW.0>
1.38461

>  <SCORE.INTRA.norm>
-0.128137

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.34459

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  203.2683  199.0398  239.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9421  198.6006  239.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3360  197.9072  240.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0651  197.7393  241.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3884  198.1786  241.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9908  198.8368  240.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4043  199.2645  240.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0389  199.0922  241.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9091  199.8926  239.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2280  196.7719  243.3385 I   0  0  0  0  0  0  0  0  0  0  0  0
  199.9680  197.6037  240.3885 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8314  200.1943  239.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7603  196.6134  240.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4118  198.0593  241.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
113.13597726,179.90511013,179.01537631,202.35042692,197.74110756,241.94061058
0.69832153,-0.31677453,-1.18379752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445402/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.46846

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-2.93154

>  <SCORE.INTRA.DIHEDRAL>
-4.50862

>  <SCORE.INTRA.DIHEDRAL.0>
4.955

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.677236

>  <SCORE.INTRA.VDW.0>
0.14822

>  <SCORE.INTRA.norm>
-0.266504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.406223

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000222

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  204.7893  200.9725  249.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9700  202.0045  248.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3565  202.8573  249.8287 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6003  203.8686  249.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4016  204.0212  248.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9451  204.6809  250.4475 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.7123  203.9029  250.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8676  204.6473  252.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6742  204.9725  253.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1421  203.9547  254.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9086  204.2597  255.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2074  205.5857  255.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7389  206.6067  254.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9780  206.3023  253.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8890  204.9496  251.5689 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8269  206.0801  251.3578 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6599  206.4509  252.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7707  205.7080  250.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6276  204.8196  250.2521 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6108  206.3859  248.9878 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6159  206.3427  247.9319 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.4098  207.6615  247.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0210  207.9542  247.4694 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5420  207.2080  248.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4066  207.2147  248.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2648  208.9407  246.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3556  205.1578  246.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8540  205.2472  245.8894 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8464  203.9767  247.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4703  204.1087  251.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2162  204.0207  248.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
178.60431231,2.96398979,-79.27173508,-174.16255906,80.58110324,-60.47624244
-66.68028170,172.46265608,-68.80396227,103.19330077,6.39253117,203.32825286
205.23803662,250.16625692,-0.27084665,-1.09240502,2.98237738

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445403/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.11725

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.531034

>  <SCORE.INTRA>
-10.2828

>  <SCORE.INTRA.DIHEDRAL>
-3.71491

>  <SCORE.INTRA.DIHEDRAL.0>
10.3182

>  <SCORE.INTRA.POLAR>
-0.672347

>  <SCORE.INTRA.POLAR.0>
-0.0164725

>  <SCORE.INTRA.REPUL>
-0.0607482

>  <SCORE.INTRA.REPUL.0>
0.0607482

>  <SCORE.INTRA.VDW>
-5.83557

>  <SCORE.INTRA.VDW.0>
-0.483011

>  <SCORE.INTRA.norm>
-0.354578

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.176457

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.094343

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  215.6448  179.6524  243.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1343  179.7456  243.7488 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.7549  178.9636  242.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4530  179.1385  244.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7296  181.2410  243.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2493  181.5303  243.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5517  182.1680  244.1738 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
179.96633708,116.57806495,213.50020834,180.33961030,243.77214652,-0.01998818
-0.75773868,1.61324866

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445404/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.10313

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.296869

>  <SCORE.INTRA.DIHEDRAL>
0.00630996

>  <SCORE.INTRA.DIHEDRAL.0>
1.09734

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.300024

>  <SCORE.INTRA.VDW.0>
0.881317

>  <SCORE.INTRA.norm>
-0.0424098

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.01473

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.273294

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  201.1340  198.0970  244.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6988  198.1802  246.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6612  197.0242  246.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2533  197.0810  248.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3334  196.0080  248.3290 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.3646  196.0480  247.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0046  197.0611  246.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5208  194.9036  246.5366 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4648  194.0677  246.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3341  193.6253  245.1672 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6156  193.8248  247.3708 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6976  194.6462  248.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2548  194.3576  249.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4669  192.8675  247.2120 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.6663  192.9706  245.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9416  194.3116  245.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0169  194.5822  246.9767 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5738  194.1684  248.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3810  192.8760  248.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7092  195.9740  247.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1151  195.0256  245.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2289  196.1992  246.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 11  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  1  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
179.80415165,-174.06124372,51.37928203,-42.58595232,62.72986425,202.78124941
195.16273106,247.06211326,2.92280387,0.08653697,2.90865242

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445405/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.00117

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-2.39883

>  <SCORE.INTRA.DIHEDRAL>
-1.04817

>  <SCORE.INTRA.DIHEDRAL.0>
3.64356

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.87475

>  <SCORE.INTRA.VDW.0>
0.516689

>  <SCORE.INTRA.norm>
-0.119942

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.350058

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  223.2190  192.7231  233.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5352  191.8489  234.5340 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.2631  191.3754  233.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4144  190.6822  234.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2874  192.6534  235.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5870  191.8700  236.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3417  192.7110  238.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6430  191.8804  239.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3850  192.6781  240.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6898  191.8090  241.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4313  192.6134  242.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7519  191.8487  243.9585 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.4134  191.3807  243.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5716  190.6881  244.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5848  192.7503  245.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  2   2   1  12   1
M  END
>  <CHROM.1>
-179.58504519,-179.93606571,-179.86614926,179.47535846,179.86509416,-179.95088876
-179.91882388,-61.18062922,220.67187245,191.95725773,239.25619264,-0.60004309
1.10244167,0.65473629

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445406/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.7206

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.893333

>  <SCORE.INTRA>
-0.679382

>  <SCORE.INTRA.DIHEDRAL>
-0.0563737

>  <SCORE.INTRA.DIHEDRAL.0>
0.0626631

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.651195

>  <SCORE.INTRA.VDW.0>
4.32874

>  <SCORE.INTRA.norm>
-0.0452921

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.848041

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.441142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  203.8121  186.5782  240.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7650  185.5867  240.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5189  185.0846  241.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3135  185.5508  242.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3825  186.5871  243.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6341  187.0924  241.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9706  184.9416  244.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0901  184.1143  245.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9464  184.3357  246.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5471  185.3591  247.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1894  185.3523  248.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7276  186.2831  249.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6302  187.2414  249.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9675  187.2858  247.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4146  186.3633  246.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5559  182.9363  244.4884 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8228  183.0271  243.2938 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7112  183.8519  243.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2765  184.4216  244.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0625  183.9910  241.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9241  184.7772  241.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3207  184.8407  240.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8678  184.1245  239.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0131  183.3750  239.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6337  183.2965  240.9111 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3022  182.2437  244.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2337  182.6848  242.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-107.09572099,-125.02022331,-54.33739241,179.09591174,-58.10016802,178.99827029
204.07286671,185.02364194,243.78069844,-2.27101593,0.75900655,1.86937683

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445408/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.91844

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-6.48156

>  <SCORE.INTRA.DIHEDRAL>
-5.92139

>  <SCORE.INTRA.DIHEDRAL.0>
8.06129

>  <SCORE.INTRA.POLAR>
-0.00709358

>  <SCORE.INTRA.POLAR.0>
-0.00834641

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.49675

>  <SCORE.INTRA.VDW.0>
-2.41243

>  <SCORE.INTRA.norm>
-0.259262

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.196738

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000140

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  203.3067  201.1004  236.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3830  201.4811  237.3557 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6516  201.0358  238.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6694  202.0085  239.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9181  201.6845  240.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1390  200.3585  241.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1147  199.3737  240.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8705  199.7120  239.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8423  198.7150  238.1097 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.4525  200.0888  242.6778 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6432  198.8721  242.8961 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0898  198.6275  244.2851 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1167  197.6820  244.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3402  196.2304  244.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7680  195.8326  244.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7271  196.7490  244.3424 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5225  198.0956  244.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4829  198.8231  243.9483 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4671  203.2987  239.3087 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.7048  196.4826  244.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
127.79734159,-179.29004191,121.65584266,203.60427617,199.48981367,241.37135097
-3.10499580,-1.31166848,0.60992669

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445409/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.17132

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-2.22868

>  <SCORE.INTRA.DIHEDRAL>
-1.48616

>  <SCORE.INTRA.DIHEDRAL.0>
4.58838

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.4856

>  <SCORE.INTRA.VDW.0>
1.61775

>  <SCORE.INTRA.norm>
-0.117299

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.324806

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000286

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  217.4639  195.0349  245.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1798  195.4733  245.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3683  196.0216  244.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8352  196.1403  243.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1215  195.6814  243.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9315  195.1341  244.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9309  196.7656  242.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8084  197.1729  242.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3166  196.9707  241.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3681  196.6574  240.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2937  197.5647  240.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5546  197.6905  239.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
0.19535744,0.15908174,-179.99391957,215.81323045,196.29309846,243.16571031
-1.10655170,0.38226834,-1.33539177

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445418/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.47774

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.922259

>  <SCORE.INTRA.DIHEDRAL>
-0.00708663

>  <SCORE.INTRA.DIHEDRAL.0>
0.00895404

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.918716

>  <SCORE.INTRA.VDW.0>
0.866298

>  <SCORE.INTRA.norm>
-0.0838418

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.588886

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.285816

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  202.3129  215.7099  256.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0868  217.2160  256.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9500  217.5875  257.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7022  219.0985  257.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5658  219.4855  258.6812 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3590  220.9868  258.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3362  221.3541  259.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8970  218.6768  258.0344 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-179.73491030,-179.89905745,172.46212627,-173.25053597,199.32733859,218.72549811
258.05233143,0.78710800,-0.03736897,-2.65145567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445419/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.89762

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-0.502383

>  <SCORE.INTRA.DIHEDRAL>
0.404395

>  <SCORE.INTRA.DIHEDRAL.0>
0.106717

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.70458

>  <SCORE.INTRA.VDW.0>
0.35804

>  <SCORE.INTRA.norm>
-0.0627978

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.1122

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004585

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  215.4823  172.0603  250.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3414  172.8315  251.7838 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0732  174.1872  251.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6905  175.0233  252.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2228  176.4505  252.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2439  177.0643  253.6613 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5756  176.9920  251.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5640  178.3048  251.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2547  179.4736  251.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8680  180.5870  250.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9310  180.2306  249.9763 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8524  178.8587  249.9346 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3692  181.9957  251.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7907  182.6099  252.1887 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.7101  182.0539  251.3176 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.0874  182.7729  250.0419 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.2544  179.5276  252.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9854  180.3372  253.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8469  180.3458  254.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0110  179.5825  254.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3190  178.8154  253.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4432  178.7816  252.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8725  177.7873  251.3470 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.8835  175.9867  250.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0927  174.6746  250.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6115  174.5365  253.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8382  175.2619  253.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0677  180.7309  249.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9094  178.4750  249.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 25  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-140.05809095,131.15685919,-125.16745506,-80.03867641,215.82192320,178.12350968
251.96135247,1.57114127,0.81097975,3.10980650

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445420/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61806

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-2.78194

>  <SCORE.INTRA.DIHEDRAL>
-1.2075

>  <SCORE.INTRA.DIHEDRAL.0>
15.8896

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.17818

>  <SCORE.INTRA.VDW.0>
-1.75913

>  <SCORE.INTRA.norm>
-0.103035

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.245114

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003052

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 17  0  0  0  0  0  0  0  0999 V2000
  223.6423  184.6757  245.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8794  183.7618  245.7929 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.8640  184.1486  246.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2990  185.6260  246.7693 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.0448  186.5304  246.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0587  186.1483  245.6958 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.7469  186.3198  244.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9810  185.4146  244.2633 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.5616  183.9505  244.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9605  185.7968  245.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5829  185.5725  243.0594 F   0  0  0  0  0  0  0  0  0  0  0  0
  227.3070  186.0170  247.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7103  185.2564  248.7223 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.7475  187.2930  247.7882 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.3901  187.5581  248.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  1  0  0  0
  6  5  1  1  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-0.35035820,-179.92413997,225.94641325,185.49300664,245.95454075,2.16916191
-0.51097656,-1.50385372

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445422/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10018

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.299819

>  <SCORE.INTRA.DIHEDRAL>
-0.0027068

>  <SCORE.INTRA.DIHEDRAL.0>
0.00608563

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.298466

>  <SCORE.INTRA.VDW.0>
0.273352

>  <SCORE.INTRA.norm>
-0.0214157

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.435727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002636

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  186.6270  228.7621  255.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7024  227.3069  255.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8574  226.9104  256.8552 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6209  226.4570  254.6283 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8002  225.7423  254.1673 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.7403  225.3503  252.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4470  224.0384  252.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8886  223.4769  251.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4631  223.5108  253.9639 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9580  224.4063  254.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7057  224.1698  256.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7087  226.0956  254.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
107.35552925,-155.02376002,187.61434389,225.45038080,254.44345075,2.90191369
-1.20070987,2.00563651

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445423/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78889

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-1.61111

>  <SCORE.INTRA.DIHEDRAL>
-0.50798

>  <SCORE.INTRA.DIHEDRAL.0>
1.61344

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.35712

>  <SCORE.INTRA.VDW.0>
0.350811

>  <SCORE.INTRA.norm>
-0.146465

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.526262

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017888

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  186.3652  213.6815  260.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8506  213.8194  259.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1288  215.0658  258.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3387  214.1843  259.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4426  212.6157  258.3908 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4780  212.2023  257.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7316  210.9147  257.2350 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8138  210.5444  257.9503 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2796  211.5669  258.6250 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.3852  212.9547  256.6682 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.2856  212.5043  255.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0745  213.4572  254.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6727  213.1825  252.9058 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.4317  211.8881  252.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6294  210.8518  253.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0790  211.1657  254.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9672  212.9587  257.1505 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.3581  211.6693  257.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9056  211.0858  258.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9177  212.0177  259.9581 N   0  0  1  0  0  0  0  0  0  0  0  0
  182.9661  213.4484  259.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5938  213.9046  258.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0123  211.6256  261.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5072  212.1344  262.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4339  212.4226  263.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1144  212.8938  262.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6206  211.8779  261.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5458  211.9004  260.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  6  1  1  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  6  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
103.05226315,137.14474932,-139.89687408,-49.09892056,151.69035070,183.92912093
212.46366516,258.30243899,-2.01297230,-0.18661852,-1.66831610

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445424/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.35237

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-2.04763

>  <SCORE.INTRA.DIHEDRAL>
0.384696

>  <SCORE.INTRA.DIHEDRAL.0>
4.98556

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.23998

>  <SCORE.INTRA.VDW.0>
-0.682203

>  <SCORE.INTRA.norm>
-0.0731297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.298299

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000776

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  200.0000  203.5488  244.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5818  202.1022  244.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8281  201.7105  242.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3964  200.2857  242.4771 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8686  200.0598  242.6247 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0427  200.9204  241.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5088  201.1570  240.5362 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8062  201.4789  242.0543 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0906  201.1674  243.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7418  199.6794  243.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8515  201.6605  244.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1961  202.4881  241.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8610  201.9766  240.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0450  203.8941  241.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6275  198.7233  242.4259 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.8895  199.9364  241.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5092  200.5276  240.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  6  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
-177.93204075,63.35041815,63.79503955,-62.24551007,34.47304475,-59.12729376
116.34424980,197.17125416,201.25521161,242.44940332,-0.00126440,-0.25178876
0.49094984

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445425/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.64558

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-3.75442

>  <SCORE.INTRA.DIHEDRAL>
-3.994

>  <SCORE.INTRA.DIHEDRAL.0>
8.77153

>  <SCORE.INTRA.POLAR>
-0.109799

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.3841

>  <SCORE.INTRA.VDW.0>
-0.277037

>  <SCORE.INTRA.norm>
-0.234651

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.477849

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043371

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  207.9238  217.3115  245.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8582  216.6148  245.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5666  216.8234  245.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3217  217.7392  246.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3842  218.4984  247.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6908  218.2498  246.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1433  219.6265  248.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0176  220.2911  248.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8152  219.7262  248.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4887  220.6409  249.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9717  220.6809  249.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3050  221.7218  249.5494 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3292  219.4969  249.8758 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8922  218.2666  250.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0890  218.0196  250.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9870  217.2711  250.2165 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9708  217.8637  247.0233 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8147  216.7338  246.5881 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.6233  217.0507  247.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7685  216.6285  245.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4688  215.2036  247.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1072  215.1799  248.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6392  213.9800  248.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5194  212.8164  248.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8452  212.8309  246.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3057  214.0274  246.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2095  211.3473  248.7528 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.3291  219.5893  249.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5506  216.8384  249.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3895  217.3896  251.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6741  218.6411  247.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
14.39061693,176.70656969,170.87979890,-179.97215862,-124.26369346,82.07005780
171.32099723,39.44797459,204.31413113,216.96003888,247.86511786,-1.48474910
0.58073803,0.11610043

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445434/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.54699

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-11.853

>  <SCORE.INTRA.DIHEDRAL>
-15.7272

>  <SCORE.INTRA.DIHEDRAL.0>
20.9846

>  <SCORE.INTRA.POLAR>
-1.17052

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00963475

>  <SCORE.INTRA.VDW.0>
-3.40816

>  <SCORE.INTRA.norm>
-0.439001

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0572958

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000141

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  212.9954  191.2145  245.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3348  191.1577  247.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7532  192.0308  248.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1804  191.9816  249.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1817  191.0548  249.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7535  190.1832  248.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3214  190.2382  247.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6083  190.9363  250.8916 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7091  189.9524  251.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3820  188.9725  250.6367 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1972  190.1430  252.7462 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2229  189.6854  253.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5998  190.2532  253.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1547  191.2268  254.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3860  191.5514  253.9636 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6826  190.7616  252.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8246  190.7411  252.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8705  189.7985  251.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8138  188.9164  250.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6686  188.9659  251.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5940  189.9106  252.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9364  191.5700  252.9382 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8316  192.2030  252.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9665  191.6626  251.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8846  193.5413  252.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8624  194.3902  252.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5187  195.4256  253.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4649  196.2815  252.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7643  196.1070  251.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1260  195.0868  250.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1793  194.2261  251.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9194  191.5985  251.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9945  192.2652  254.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6772  192.1683  253.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-173.19439250,-78.24038205,51.58109373,77.78382579,106.67591938,176.71706827
145.72296497,210.25374992,191.61573003,251.30197943,0.17948768,0.57112324
-1.48867235

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445435/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.01589

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-10.3841

>  <SCORE.INTRA.DIHEDRAL>
-16.3867

>  <SCORE.INTRA.DIHEDRAL.0>
20.5754

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.19075

>  <SCORE.INTRA.VDW.0>
-2.47194

>  <SCORE.INTRA.norm>
-0.334971

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0650286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  193.2604  217.8404  246.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2275  218.7030  247.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3402  219.3676  246.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6621  218.4280  245.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6704  217.6118  244.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6093  216.8585  245.6483 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9130  215.4583  246.3286 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.9188  215.8597  247.2955 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5603  214.5698  245.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2381  214.6766  247.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5198  214.6453  246.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5193  213.8808  247.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2460  213.1661  248.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9639  213.2067  248.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9476  213.9378  248.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6170  212.2276  250.4491 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2581  212.5178  250.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0658  210.8825  250.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6742  212.8421  251.6138 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2380  214.0813  252.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2357  215.1932  251.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2506  216.0447  250.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8307  216.8027  249.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1382  216.3872  249.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3995  215.4166  250.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6455  212.8591  251.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
57.72051268,-40.43088612,176.96638301,80.49758214,-67.19300577,121.08504313
193.20011729,215.09323983,248.37600197,-2.56178831,1.14452694,-3.00464191

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445436/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31303

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.08697

>  <SCORE.INTRA.DIHEDRAL>
-2.27273

>  <SCORE.INTRA.DIHEDRAL.0>
5.17483

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.95061

>  <SCORE.INTRA.VDW.0>
-2.94802

>  <SCORE.INTRA.norm>
-0.203479

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.252521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  208.0431  194.7151  246.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5990  194.8736  247.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3966  193.8629  248.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9157  193.9859  249.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6637  195.1169  250.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8509  196.1235  249.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3330  196.0050  248.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1914  195.2763  251.4220 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0864  194.4074  252.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5949  193.4389  251.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3945  194.7070  253.3133 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3777  193.8488  253.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8428  194.2030  253.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2461  194.2812  252.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7097  193.1386  251.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1076  193.2133  250.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0514  194.4416  249.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6112  195.5931  250.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2107  195.5098  251.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4862  194.5192  247.9134 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.8860  195.8656  247.5819 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2747  193.3591  247.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9562  194.2878  247.2614 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0283  196.1582  251.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1062  195.5705  253.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.5970  193.3509  247.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3292  195.0696  247.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <CHROM.1>
5.97797838,84.49728259,-55.48502795,-89.30175124,-156.78398132,-68.13001635
212.52081337,194.54868410,249.88508905,-3.01451169,-0.09807919,1.63586976

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445437/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.41263

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-2.98737

>  <SCORE.INTRA.DIHEDRAL>
-3.12621

>  <SCORE.INTRA.DIHEDRAL.0>
6.11196

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.42426

>  <SCORE.INTRA.VDW.0>
-1.3371

>  <SCORE.INTRA.norm>
-0.129886

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.365766

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  195.7454  212.2169  242.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8876  211.8450  244.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8281  212.0194  245.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6256  212.6214  244.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4651  212.8625  243.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5206  212.6914  242.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5170  212.9881  245.8041 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8359  211.7953  246.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6388  211.5532  246.4928 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6732  210.9710  247.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9776  214.1082  247.1725 P   0  0  1  0  0  0  0  0  0  0  0  0
  193.6451  215.3442  246.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6621  214.3571  248.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4980  213.4778  249.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4478  213.6452  250.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5462  214.6943  250.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7060  215.5896  249.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7572  215.4232  248.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1432  213.3009  247.9616 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2570  210.1999  247.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9256  212.3516  248.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  6  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-66.00091399,-123.85036394,52.25188276,179.52212890,87.73234312,-42.44069713
192.67211422,213.26361471,246.71854454,-0.56562685,0.80128587,0.35153966

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445438/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.27724

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-4.12276

>  <SCORE.INTRA.DIHEDRAL>
-2.41902

>  <SCORE.INTRA.DIHEDRAL.0>
11.0659

>  <SCORE.INTRA.POLAR>
-0.355339

>  <SCORE.INTRA.POLAR.0>
-0.39931

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.7051

>  <SCORE.INTRA.VDW.0>
-2.71512

>  <SCORE.INTRA.norm>
-0.216988

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.277749

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005566

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  203.6947  215.6229  258.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1942  216.4178  259.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4809  216.1278  260.9647 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.9427  216.0241  260.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3047  217.3756  260.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1825  218.2373  259.6218 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6747  217.9043  259.8475 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.9248  217.5690  261.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7621  218.1261  258.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9842  219.6200  259.9538 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7371  216.3042  259.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2433  219.7519  260.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  6  0  0  0
  6 10  1  0  0  0  0
  7  8  1  1  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
60.00676866,203.06417649,217.24833668,259.88533739,-0.16536092,0.69249864
-1.28922728

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445439/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39643

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.490909

>  <SCORE.INTRA>
-0.00357186

>  <SCORE.INTRA.DIHEDRAL>
-0.0105438

>  <SCORE.INTRA.DIHEDRAL.0>
0.0122718

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00170002

>  <SCORE.INTRA.VDW.0>
0.154616

>  <SCORE.INTRA.norm>
-0.000324715

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.490584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000834

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  197.1737  217.2657  244.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3057  215.8411  244.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4823  214.9042  244.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4611  215.5500  243.1159 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7891  215.2716  243.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0131  215.5547  243.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2475  215.2587  243.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2924  214.6410  245.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1034  214.3245  245.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8592  214.6346  245.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1174  214.6299  241.9954 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8410  212.9400  242.4812 P   0  0  0  0  0  0  0  0  0  0  0  0
  197.0905  212.7076  241.1480 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6956  212.5303  242.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5159  212.1346  243.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8898  211.9941  242.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4530  212.2550  241.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6427  212.6429  240.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2612  212.7725  240.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5567  211.2025  242.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2168  210.8413  244.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1202  209.4852  244.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3384  208.4793  243.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6578  208.8135  242.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7723  210.1565  242.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8081  214.7075  241.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
85.39556541,-152.73773875,-69.60685827,161.06325655,115.82703394,-58.71437398
199.09104157,213.09462452,243.15424936,1.14124591,0.17040215,0.28234261

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445440/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.11444

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-4.28556

>  <SCORE.INTRA.DIHEDRAL>
-1.63587

>  <SCORE.INTRA.DIHEDRAL.0>
15.6929

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.46762

>  <SCORE.INTRA.VDW.0>
-3.1084

>  <SCORE.INTRA.norm>
-0.171422

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.284578

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  191.5638  220.7661  249.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7125  221.1878  250.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9214  221.0083  251.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1788  221.3878  252.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4421  221.1955  253.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4606  220.6107  252.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2440  220.2206  251.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9917  220.4103  250.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8222  220.0155  249.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6047  220.1500  248.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5040  219.9238  247.2395 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0484  220.3920  253.3002 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6229  219.1823  252.7460 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7225  221.6646  253.2579 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7231  220.0314  254.8396 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9778  222.1167  253.7998 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.2641  223.1159  253.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2940  221.0444  254.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7822  222.9803  254.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3158  218.9583  246.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2353  220.3409  246.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1776  219.2158  254.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3082  223.6621  254.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <CHROM.1>
-43.19187054,147.28869862,-104.60508268,59.36228213,58.85801290,194.00500431
220.97847339,252.24719777,-2.58367542,-0.30993173,1.24595745

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445441/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.94033

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-1.45967

>  <SCORE.INTRA.DIHEDRAL>
-2.10107

>  <SCORE.INTRA.DIHEDRAL.0>
4.87118

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.409139

>  <SCORE.INTRA.VDW.0>
-1.45572

>  <SCORE.INTRA.norm>
-0.0768248

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.36528

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001961

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  215.5081  184.4188  235.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7989  185.7262  236.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2456  185.8280  237.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1611  186.8624  237.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6830  187.1043  238.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2837  186.3044  239.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3620  185.2701  239.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8445  185.0286  238.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8011  186.4872  241.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2455  185.9068  242.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9962  187.3680  241.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0654  187.5194  240.9558 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2890  186.7851  239.8538 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0036  188.0809  243.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9119  188.0814  243.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9738  188.8205  245.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1252  189.5404  245.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2269  189.5153  244.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1644  188.7902  243.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3015  185.7878  240.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.0656  187.0250  239.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
146.80788233,167.70809208,-36.17894953,-6.61352996,-57.90747580,217.91936747
186.97439800,240.71482156,1.98025986,-0.40568978,-1.83559490

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445442/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.41114

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-2.98886

>  <SCORE.INTRA.DIHEDRAL>
-6.87248

>  <SCORE.INTRA.DIHEDRAL.0>
12.7479

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.447374

>  <SCORE.INTRA.VDW.0>
0.209627

>  <SCORE.INTRA.norm>
-0.157309

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.39006

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000632

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  198.3879  215.1381  258.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9246  216.3261  257.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8580  216.9021  257.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3992  218.0843  256.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3331  218.6137  255.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8942  219.7010  254.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0028  219.1903  253.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5709  218.1263  252.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1951  216.8058  253.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8654  216.5070  253.0402 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5306  215.3211  253.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4761  214.4524  254.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7982  214.7295  254.0873 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1408  215.9276  253.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4697  216.2947  253.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0715  216.1698  254.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.15592326,177.88722166,-174.10005206,63.40872391,63.79078593,-67.83289065
106.64415968,128.38148356,198.47100583,216.77836770,254.73383843,-1.16676756
1.48433376,-1.62188442

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445443/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.73

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8375

>  <SCORE.INTRA>
-1.66997

>  <SCORE.INTRA.DIHEDRAL>
2.74698

>  <SCORE.INTRA.DIHEDRAL.0>
1.40801

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.04346

>  <SCORE.INTRA.VDW.0>
1.1029

>  <SCORE.INTRA.norm>
-0.104373

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.733127

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  207.1389  186.4458  238.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3975  186.4031  239.1213 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.1041  186.5237  239.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2715  187.6036  239.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2952  187.9900  240.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0982  189.1453  240.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0347  189.5130  242.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7070  190.1518  242.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5110  189.2336  242.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7590  187.9783  243.1406 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7063  187.0524  242.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0865  185.7154  243.3942 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.2817  184.5248  242.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3946  185.2763  242.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
117.23165461,-179.27966933,178.32722453,-74.10507718,60.46126903,53.14898822
-175.52097265,173.28781195,-116.92993563,208.20120276,187.39252422,241.46100352
-2.63263631,1.07613928,1.26444605

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445444/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.5659

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02857

>  <SCORE.INTRA>
-1.83411

>  <SCORE.INTRA.DIHEDRAL>
-0.702482

>  <SCORE.INTRA.DIHEDRAL.0>
5.51281

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.48287

>  <SCORE.INTRA.VDW.0>
-0.835185

>  <SCORE.INTRA.norm>
-0.131008

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.897564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042809

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  207.6835  204.7099  246.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1306  203.3175  245.9508 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.2361  203.2992  244.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3429  203.8147  245.2064 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9561  202.6816  243.7949 O   0  5  0  0  0  0  0  0  0  0  0  0
  208.8110  202.3723  247.3693 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.2006  200.8242  246.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6938  200.3729  245.5758 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1756  199.1085  245.3763 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9521  198.7721  246.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9813  199.8493  247.2762 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6727  199.9428  248.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9699  200.6984  248.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2122  201.8681  249.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6647  197.4824  246.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4883  197.0938  247.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1385  195.8521  247.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9297  194.9446  246.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0917  195.2937  245.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4673  196.5495  245.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6183  193.7673  246.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8304  192.5953  246.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  1   5  -1
M  END
>  <CHROM.1>
63.72804640,178.12043299,-19.42125491,-179.80662899,-80.45972105,114.87434239
130.93769788,210.23947663,199.54096970,246.52016454,2.15288023,-0.96264294
0.44462317

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445445/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.14527

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-4.25473

>  <SCORE.INTRA.DIHEDRAL>
-5.65128

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.42909

>  <SCORE.INTRA.VDW.0>
-0.322143

>  <SCORE.INTRA.norm>
-0.193397

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.37024

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000162

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  222.3504  192.3494  246.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8157  191.6385  244.8038 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.8703  191.9432  243.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4381  191.4370  243.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4322  190.0545  244.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5845  189.4582  244.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9358  190.1084  245.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3231  187.8631  245.4410 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.6486  187.9410  245.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2876  189.2230  244.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9378  189.6797  244.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8654  190.1165  244.4565 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8341  186.8441  245.3765 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1976  185.5617  245.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6555  184.7722  245.5142 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.2069  184.8350  246.3960 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8660  185.1657  246.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3515  186.0162  245.7577 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0815  184.4206  247.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6008  183.4827  248.2931 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5961  183.2367  249.1691 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4318  183.8721  248.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7091  184.6443  247.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8263  182.4671  250.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8379  186.9612  245.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.4939  183.9996  246.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-9.28402544,1.92133305,218.99982105,187.24808649,245.98472501,0.94672815
0.14924133,-0.36657496

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445446/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.497806

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-6.90219

>  <SCORE.INTRA.DIHEDRAL>
-14.5371

>  <SCORE.INTRA.DIHEDRAL.0>
15.628

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.453364

>  <SCORE.INTRA.VDW.0>
-1.48

>  <SCORE.INTRA.norm>
-0.287591

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0207419

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  207.8524  193.6115  241.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8312  194.3142  240.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1538  195.7362  241.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6358  196.7158  240.7346 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1312  195.9308  242.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7437  194.8660  242.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6767  194.8995  243.9629 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0737  196.1386  244.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9850  196.1919  245.5228 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3886  197.3986  246.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8382  198.5861  245.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8907  198.5504  244.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5080  197.3116  244.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4873  197.2531  242.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9640  198.2968  242.5787 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1509  199.7829  246.0328 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.3079  197.4065  247.0333 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1417  198.5655  247.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1180  198.8117  248.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4248  197.6217  249.7067 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5968  196.4743  249.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6275  196.1777  247.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8080  197.2568  249.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6882  197.7723  250.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4069  198.4339  251.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0907  197.3804  249.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5811  198.2018  248.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3222  193.6915  244.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4551  193.0378  245.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2022  194.1516  246.9581 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-101.40389833,3.03348837,-84.71963119,159.53543423,96.87002949,1.11547281
74.77910900,-61.51853467,212.96206564,196.59896771,245.85854169,3.08593976
-0.79410565,-0.40744009

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445447/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4967

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-2.90331

>  <SCORE.INTRA.DIHEDRAL>
-2.12287

>  <SCORE.INTRA.DIHEDRAL.0>
9.03326

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.84187

>  <SCORE.INTRA.VDW.0>
0.821166

>  <SCORE.INTRA.norm>
-0.096777

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.34989

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001328

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  198.7005  221.5141  251.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3030  220.2352  250.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3055  219.4594  249.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3816  218.7810  250.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4651  219.5286  248.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3466  220.1544  247.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5047  218.8090  247.8141 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2857  222.4608  250.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1250  222.7871  250.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6236  218.8666  246.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
-63.17560455,114.91878130,-75.63559573,0.79217543,179.94019908,198.23386980
220.39798705,249.58862420,-1.81383474,1.54363802,-2.27432932

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445449/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78029

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-2.61971

>  <SCORE.INTRA.DIHEDRAL>
-0.802641

>  <SCORE.INTRA.DIHEDRAL.0>
3.536

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.21839

>  <SCORE.INTRA.VDW.0>
1.56916

>  <SCORE.INTRA.norm>
-0.291079

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.753366

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.187877

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  200.2171  191.4439  238.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4118  191.9020  239.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0145  190.7625  240.6371 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2187  191.2671  241.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2691  191.6893  241.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4936  192.1814  242.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0457  190.2773  241.6018 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4460  189.1612  242.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5270  188.6218  242.1295 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4029  188.7187  243.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0301  190.0578  244.4301 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.9020  188.2087  242.4972 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
176.34332790,144.56869628,173.68621742,0.14738642,-56.14103751,201.26148812
190.09944720,242.14157629,0.51662764,-0.45313312,-1.20640113

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445458/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.55197

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-1.84803

>  <SCORE.INTRA.DIHEDRAL>
-1.50368

>  <SCORE.INTRA.DIHEDRAL.0>
2.78371

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.0962

>  <SCORE.INTRA.VDW.0>
0.0490978

>  <SCORE.INTRA.norm>
-0.154003

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.712664

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  201.8752  208.8344  254.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9251  208.7314  253.8022 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7943  209.9071  253.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8168  210.3077  252.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6486  211.4098  251.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4758  212.1571  251.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4689  211.8005  252.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6341  210.6745  253.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5050  210.2485  253.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0105  211.0503  254.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9080  209.0718  253.4741 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6006  207.7950  253.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8495  206.6027  253.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4246  205.3340  253.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7755  205.2125  253.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5485  206.3630  253.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9966  207.6670  253.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4488  209.1115  253.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9875  209.3981  251.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4916  208.4434  250.8055 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5560  208.3206  249.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7872  208.9230  250.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
95.47004162,57.44710418,150.86916883,198.96794340,208.98115544,252.80096783
-0.36799200,0.46264122,2.75259264

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445459/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.61151

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-3.78849

>  <SCORE.INTRA.DIHEDRAL>
-0.842219

>  <SCORE.INTRA.DIHEDRAL.0>
3.44726

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.36738

>  <SCORE.INTRA.VDW.0>
1.3169

>  <SCORE.INTRA.norm>
-0.172204

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.209614

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004948

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  194.3926  214.6904  251.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7664  215.0924  250.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6994  216.6153  250.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2296  216.9550  250.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4643  215.6296  250.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6938  217.9581  251.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7050  219.3033  250.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1591  219.7326  249.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0164  220.2149  251.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6053  220.2516  253.3518 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5766  221.6925  253.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9346  222.4068  253.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9752  221.6528  254.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1695  221.9212  256.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1402  221.2284  256.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9231  220.2566  256.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7339  219.9753  254.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7645  220.6670  254.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7803  219.1680  254.4312 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.5825  219.8030  254.9295 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7000  217.8993  253.7322 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8667  218.9360  255.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0103  218.1403  255.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8217  217.9908  256.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5005  218.6359  258.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3669  219.4393  258.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5484  219.5952  257.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9721  220.2382  259.5989 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.4805  217.2741  254.3143 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.4791  217.7015  252.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
93.84631087,62.32169881,140.15731472,-104.83560267,-82.13368259,-56.53076708
-91.26518694,-74.60665322,194.58275372,219.03079990,254.33583373,-2.14071671
-1.39186886,0.55445739

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445460/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.52197

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-6.87803

>  <SCORE.INTRA.DIHEDRAL>
4.09934

>  <SCORE.INTRA.DIHEDRAL.0>
4.26635

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.5277

>  <SCORE.INTRA.VDW.0>
-3.81046

>  <SCORE.INTRA.norm>
-0.237174

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.224895

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000227

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  185.8190  210.6885  266.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3018  210.9955  266.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0096  209.8371  267.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7344  209.9703  267.0969 P   0  0  0  0  0  0  0  0  0  0  0  0
  189.9006  208.2538  268.1184 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.7277  209.6223  265.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4593  210.1035  267.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9619  211.4235  266.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4752  211.3888  266.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5242  209.1708  265.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.58455660,168.47710069,-150.64334378,48.02419272,179.94621071,189.73743082
210.00255279,267.03789510,3.08470142,0.07278800,2.68010727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445461/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.307843

>  <SCORE.INTRA.VDW.0>
-1.05007

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.156328

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  191.7415  220.8757  261.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8249  219.4974  260.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7035  218.5797  261.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8977  217.3414  260.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9663  216.7512  260.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7848  216.8421  259.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8474  217.7441  259.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9199  219.1700  259.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2159  220.0329  259.2992 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6864  217.5122  258.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8522  215.3881  259.2000 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.0310  215.2456  258.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9361  215.9872  256.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9821  217.5202  256.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6971  218.2298  255.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7915  219.7413  255.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8938  220.2822  256.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2550  220.9137  257.7046 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5920  220.0039  256.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7448  214.2163  260.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7660  213.2228  259.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8154  212.0024  260.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8061  211.7749  261.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6775  212.8039  261.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6148  214.0281  261.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6149  218.7158  262.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0023  220.2814  257.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  1  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-68.32937890,-66.76420483,125.18930569,66.98139119,-172.01928282,-178.36173758
-54.85855552,119.05485477,175.37587561,191.98472271,217.19771996,259.29603649
-2.14568404,1.51037844,-3.01515997

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445462/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.75616

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-4.64384

>  <SCORE.INTRA.DIHEDRAL>
0.505696

>  <SCORE.INTRA.DIHEDRAL.0>
3.63826

>  <SCORE.INTRA.POLAR>
-0.355074

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.68944

>  <SCORE.INTRA.VDW.0>
-1.73713

>  <SCORE.INTRA.norm>
-0.178609

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.336775

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.067866

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  199.5415  215.6086  244.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0192  214.7294  243.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7734  215.0400  242.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1402  213.2586  244.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1340  212.8519  245.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2834  211.3871  245.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3267  210.8311  246.7702 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8863  210.8145  246.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8167  209.4174  247.1403 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2268  209.4381  247.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4791  207.9746  248.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1160  207.4212  248.4486 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0323  208.5210  248.1460 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7315  207.8561  247.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4405  206.5462  248.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4515  205.5041  247.9370 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8504  206.1200  247.6727 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8812  205.0115  247.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0307  203.7320  247.9602 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7606  204.2283  248.7586 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1373  204.5989  250.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6179  203.2039  248.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8161  202.7161  247.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8662  203.7698  247.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7730  204.0399  247.7221 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3508  204.3578  246.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8527  203.3273  246.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8569  203.4673  245.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9735  202.7893  245.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6355  209.3119  249.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2329  204.0172  245.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8957  202.5311  244.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  1  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  6  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <CHROM.1>
71.74514041,179.90487824,179.78213741,67.02922121,63.75072307,-104.24092630
50.09535478,-72.99137100,-80.44747261,-1.39696797,-179.62858849,197.21146747
207.58250316,246.99808357,1.29702950,0.20867946,-0.22790252

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445463/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.31587

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48

>  <SCORE.INTRA>
-6.08413

>  <SCORE.INTRA.DIHEDRAL>
2.87748

>  <SCORE.INTRA.DIHEDRAL.0>
2.25536

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.12287

>  <SCORE.INTRA.VDW.0>
3.27967

>  <SCORE.INTRA.norm>
-0.202804

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.277196

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000889

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  187.7438  207.5600  263.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4379  208.9022  263.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9128  208.7199  263.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6165  210.0658  263.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0852  209.8739  262.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7859  211.2194  262.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2529  211.0265  262.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9546  212.3713  262.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4188  212.1795  262.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1180  213.5241  262.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5845  213.3326  261.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2856  214.6781  261.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7546  214.4855  261.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4642  215.8311  261.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9300  215.6199  261.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6878  216.9171  261.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8033  217.6210  259.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6250  218.7444  259.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2546  219.2226  260.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0837  218.5623  262.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3087  217.4061  262.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-179.91889703,-179.84834621,-179.97771479,-179.86217705,-179.82431823,-179.91275353
-179.86803359,-179.85888395,-179.86928844,179.50957687,-179.92871597,-179.85307989
-179.82788441,-90.56523185,197.61968245,213.58345818,262.08150514,-2.65883130
0.29262647,0.23102010

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445464/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
19.3928

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.92381

>  <SCORE.INTRA>
-0.00720747

>  <SCORE.INTRA.DIHEDRAL>
-0.00406114

>  <SCORE.INTRA.DIHEDRAL.0>
0.695682

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0051769

>  <SCORE.INTRA.VDW.0>
-2.11409

>  <SCORE.INTRA.norm>
-0.000343213

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.923466

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047994

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  221.1684  185.0451  236.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8452  183.6568  236.5662 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3771  182.9883  235.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1324  181.6630  235.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3458  180.8838  236.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2081  179.6683  236.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7655  181.6338  237.1514 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9897  182.9685  237.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4407  183.4711  238.4025 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7435  181.3666  234.0763 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4054  182.5204  233.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1686  183.5173  234.5039 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1667  182.5247  232.5459 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.5087  181.9169  232.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1692  181.7060  231.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3314  182.9416  230.5360 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.9930  183.6029  230.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2784  183.8194  231.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3360  183.8744  231.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7973  183.4273  230.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1177  183.2822  229.5283 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4583  180.2095  233.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6502  180.4193  231.9643 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.5690  181.5135  232.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7202  181.2080  233.1759 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2918  182.2429  233.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4546  181.8854  235.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0230  182.8308  235.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4451  184.1536  235.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2602  184.5378  234.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6799  183.5842  233.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9359  185.4236  237.1163 Br  0  0  0  0  0  0  0  0  0  0  0  0
  221.5907  180.7278  230.9175 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1881  181.1421  237.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
  229.0495  182.9921  229.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.0943  181.5174  231.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <CHROM.1>
105.41570616,-78.88196078,73.72780796,59.62977052,-179.52075217,-34.69299816
-54.77679317,-57.98509903,140.74219173,179.17634602,220.86696501,182.92528501
234.29845074,-2.69272422,-0.49764569,-2.60439654

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445465/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09214

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-7.30786

>  <SCORE.INTRA.DIHEDRAL>
5.16687

>  <SCORE.INTRA.DIHEDRAL.0>
5.82628

>  <SCORE.INTRA.POLAR>
-0.940588

>  <SCORE.INTRA.POLAR.0>
-0.0594119

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.69329

>  <SCORE.INTRA.VDW.0>
-1.15166

>  <SCORE.INTRA.norm>
-0.22145

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.18461

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001568

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 22  0  0  0  0  0  0  0  0999 V2000
  210.1048  204.5917  241.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6044  205.8492  242.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1129  205.8499  242.4313 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.1094  205.9643  241.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3060  204.6504  240.4275 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.0260  204.1923  239.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2221  203.6107  240.9771 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2864  203.3677  242.1375 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.5885  203.4292  241.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4451  204.5461  243.1831 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.6821  204.3859  244.4485 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4075  203.4320  245.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5109  202.0154  244.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7702  201.4930  244.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8827  200.2221  243.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7411  199.4499  243.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4838  199.9568  244.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3660  201.2317  244.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7632  203.9467  244.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-158.50139118,-64.71503496,113.44883657,212.24152703,203.28183674,242.76663108
1.93217568,1.19168820,-0.95385561

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445474/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.17655

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-1.22345

>  <SCORE.INTRA.DIHEDRAL>
0.580723

>  <SCORE.INTRA.DIHEDRAL.0>
1.05662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.51381

>  <SCORE.INTRA.VDW.0>
-0.847844

>  <SCORE.INTRA.norm>
-0.0679694

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.398697

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001758

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  185.7824  218.1780  251.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9029  218.8612  252.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3035  218.2518  253.1581 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5051  216.8753  253.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2197  216.1346  252.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7826  216.7355  251.2765 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3745  214.7951  252.5876 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8747  214.1821  253.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1721  214.7638  254.5882 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9095  216.1182  254.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2086  216.7169  255.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1967  212.8694  253.7715 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.7564  220.3845  252.0341 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.5174  220.8976  252.7846 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.2724  222.3870  252.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2848  223.1944  253.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3445  220.1590  252.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9309  221.0544  252.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4836  216.2111  250.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.0008  214.3051  251.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.6925  212.2443  253.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.1669  212.5529  254.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.1433  222.8297  252.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.4823  219.2210  252.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.6574  220.7519  251.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  1  0  0  0
 14 15  1  6  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <CHROM.1>
160.16338163,-75.56670501,-172.34686599,61.53285658,-69.61812193,60.27210327
52.18531274,184.51709299,218.00215311,252.93719890,-1.71015664,-0.79118388
2.89438578

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445475/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.49714

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-4.90286

>  <SCORE.INTRA.DIHEDRAL>
-0.752527

>  <SCORE.INTRA.DIHEDRAL.0>
3.20954

>  <SCORE.INTRA.POLAR>
-1.2727

>  <SCORE.INTRA.POLAR.0>
-0.0389912

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.199405

>  <SCORE.INTRA.VDW.0>
-0.758055

>  <SCORE.INTRA.norm>
-0.272381

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.249841

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003529

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  207.6750  204.6306  251.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6897  205.6581  251.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6740  206.1601  250.7100 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5681  205.2033  250.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9423  205.2348  249.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1550  207.4404  251.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5452  208.3265  250.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2389  208.6989  250.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6202  209.5282  249.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4670  208.8081  248.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8580  209.6935  247.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7050  208.9823  246.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0863  209.8685  245.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9363  209.1467  244.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3051  210.0198  243.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1607  209.2944  243.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5999  210.1285  242.1020 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8731  209.6387  241.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
77.26946816,-148.21862420,157.46623601,118.01355034,119.58176772,179.64489776
179.92983563,179.52380415,179.85686879,179.87819086,179.90924776,-179.58076071
-179.62737121,201.83060027,208.04229434,247.91217152,0.04552688,0.74177827
-2.72999414

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445476/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.1737

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02353

>  <SCORE.INTRA>
-3.22627

>  <SCORE.INTRA.DIHEDRAL>
2.41686

>  <SCORE.INTRA.DIHEDRAL.0>
0.028006

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.4347

>  <SCORE.INTRA.VDW.0>
3.01783

>  <SCORE.INTRA.norm>
-0.18978

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.833749

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006605

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 90 97  0  0  0  0  0  0  0  0999 V2000
  187.7597  214.7366  268.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0712  213.3644  268.6587 C   0  0  1  0  0  0  0  0  0  0  0  0
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  184.9782  213.7286  267.1392 C   0  0  1  0  0  0  0  0  0  0  0  0
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  188.2763  210.4202  269.2229 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.8002  209.0811  269.4619 O   0  0  0  0  0  0  0  0  0  0  0  0
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  190.2358  208.4024  268.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
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  192.5511  207.7516  268.2949 C   0  0  2  0  0  0  0  0  0  0  0  0
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  191.2175  207.7485  266.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1591  207.9600  265.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5934  207.8573  263.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8657  207.7198  263.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0277  207.7369  263.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
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  197.7973  206.6694  261.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
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  200.2336  206.4343  261.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7375  207.2399  260.6851 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.9603  208.7159  261.0885 C   0  0  1  0  0  0  0  0  0  0  0  0
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  199.1088  208.4492  262.7656 O   0  0  0  0  0  0  0  0  0  0  0  0
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  202.2244  209.0154  261.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5631  208.5975  263.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8597  207.9439  263.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9636  209.0285  263.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9315  206.6982  260.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3628  207.3477  258.8766 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6471  206.7018  258.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4032  205.2376  258.0154 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1746  205.0210  257.1085 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.0000  205.9629  257.4876 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3914  207.3007  257.8290 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9054  206.0258  256.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4483  204.8241  255.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0904  205.8324  254.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5915  204.6476  257.4848 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4625  208.0064  262.9995 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8940  207.3100  269.8063 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1591  207.8274  271.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6230  208.7445  271.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8083  207.0851  271.5208 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9011  207.8327  272.5338 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5700  208.1751  273.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4645  209.0832  271.9622 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9615  206.6339  270.4496 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7716  205.8716  269.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
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  183.5224  213.7629  267.0307 O   0  0  0  0  0  0  0  0  0  0  0  0
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  180.8778  215.5782  265.8597 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.7035  216.7578  265.3044 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.2057  216.5707  265.6250 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.7111  215.3082  265.1917 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0576  217.6298  264.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4737  216.8580  263.8676 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3899  217.5953  263.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6422  218.1855  264.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.2214  217.6141  262.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6094  215.7701  267.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5734  215.5543  265.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0445  214.4363  269.5472 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1819  208.7585  270.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2591  207.8161  261.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3842  203.7102  257.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6896  208.0931  263.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.8517  209.4944  272.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.8121  207.3803  269.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
  179.7080  215.3524  264.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.0758  214.4812  269.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 82  1  1  0  0  0
  4  5  1  0  0  0  0
  4 68  1  1  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
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  8 13  1  0  0  0  0
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 12 15  1  6  0  0  0
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 14 83  1  0  0  0  0
 17 16  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 58  1  1  0  0  0
 19 20  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 57  1  0  0  0  0
 25 31  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 34  1  0  0  0  0
 30 31  2  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 32 84  1  0  0  0  0
 35 34  1  6  0  0  0
 35 40  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 46  1  1  0  0  0
 38 39  1  0  0  0  0
 38 42  1  1  0  0  0
 39 40  1  0  0  0  0
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 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 47 46  1  1  0  0  0
 47 52  1  0  0  0  0
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 64 87  1  0  0  0  0
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 76 77  1  0  0  0  0
 77 78  2  0  0  0  0
 77 79  1  0  0  0  0
 81 89  1  0  0  0  0
 82 90  1  0  0  0  0
M  END
>  <CHROM.1>
-178.63247141,172.26393622,-177.49116473,95.73061630,-178.78335989,59.86396528
-64.42210048,2.41852959,-21.28494664,-2.99983146,-177.36660605,173.93096919
-67.46261396,-2.93745399,178.90259235,178.40205889,-61.40881405,-97.79880831
83.04589310,-163.79817954,-58.39061776,-51.29166402,176.39932782,-179.54323096
-56.06248937,86.44757591,1.89993875,192.27012652,209.78063637,264.80033027
-2.94273442,0.50123394,-1.21118470

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445477/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.143264

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297561

>  <SCORE.INTRA>
-24.2567

>  <SCORE.INTRA.DIHEDRAL>
-29.4229

>  <SCORE.INTRA.DIHEDRAL.0>
48.4811

>  <SCORE.INTRA.POLAR>
-1.85311

>  <SCORE.INTRA.POLAR.0>
-1.10094

>  <SCORE.INTRA.REPUL>
0.0289189

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.38932

>  <SCORE.INTRA.VDW.0>
-5.79678

>  <SCORE.INTRA.norm>
-0.295814

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
82

>  <SCORE.norm>
0.00174712

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016715

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  198.0253  217.6997  245.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8951  218.0344  246.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9823  217.2205  247.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
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  197.0010  214.9478  247.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.4706  216.1849  247.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
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  195.8215  219.8661  247.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7418  221.1895  248.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6859  222.1259  248.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7086  221.7413  247.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7902  220.4171  246.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8501  217.0633  247.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
179.12885935,-64.91086120,48.63499510,-50.08857316,196.22171210,218.13940276
247.02046121,-1.87815220,0.46821238,0.29015018

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445478/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.99442

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.405583

>  <SCORE.INTRA.DIHEDRAL>
-0.255734

>  <SCORE.INTRA.DIHEDRAL.0>
3.5374

>  <SCORE.INTRA.POLAR>
-0.0129826

>  <SCORE.INTRA.POLAR.0>
-0.245687

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.233575

>  <SCORE.INTRA.VDW.0>
2.08668

>  <SCORE.INTRA.norm>
-0.0289702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.57103

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009756

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  192.3653  203.8228  248.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6517  203.0764  248.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7903  203.4641  249.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0820  202.7158  249.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0409  201.4763  248.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2091  200.6549  248.0966 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.5331  201.0709  248.6028 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0583  202.3245  248.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2094  202.3773  247.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6487  203.5956  246.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9411  204.7620  247.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8156  204.7131  248.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3720  203.4978  248.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2184  203.4721  249.3494 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0900  200.3449  249.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4900  199.3597  250.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4518  200.7485  250.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5525  202.1659  250.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5908  202.6833  251.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4969  204.0529  251.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4641  204.9089  251.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5346  204.3868  250.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5596  203.0284  250.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2164  200.5536  246.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1908  201.7291  245.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0959  201.6882  244.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0818  200.4420  243.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1935  199.2685  244.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2423  199.3263  245.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9179  200.4541  242.4225 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8492  199.6893  241.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9851  202.8168  243.6465 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8878  203.8825  243.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7135  200.7973  248.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6542  199.6115  248.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4379  201.5683  248.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9883  203.4447  246.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1806  204.1642  250.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  6  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
54.60800961,58.25765645,47.52703545,47.10190261,130.03369551,197.61091565
202.09212447,247.71140960,2.09805963,-0.07870541,-1.87591501

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445479/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.81847

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.281081

>  <SCORE.INTRA>
-4.58153

>  <SCORE.INTRA.DIHEDRAL>
5.24257

>  <SCORE.INTRA.DIHEDRAL.0>
2.8847

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0071586

>  <SCORE.INTRA.REPUL.0>
0.0071586

>  <SCORE.INTRA.VDW>
-7.16702

>  <SCORE.INTRA.VDW.0>
1.75677

>  <SCORE.INTRA.norm>
-0.123825

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.157256

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  198.3939  217.0327  256.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3823  216.9761  254.9850 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0367  216.0890  254.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7194  216.3510  252.9300 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8629  217.4131  253.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6512  217.8495  254.2665 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3159  217.9440  251.9224 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9022  218.2429  251.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0654  217.0109  251.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2687  215.9651  252.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9125  216.4960  253.9203 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2202  215.6993  254.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7084  216.1232  256.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9749  215.4054  257.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7658  214.2588  257.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2841  213.8085  256.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9941  214.5338  254.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1666  212.5805  256.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6224  212.8552  255.9926 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0426  213.3575  257.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5560  213.4615  257.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2354  212.1425  257.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8769  211.7452  255.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3610  211.6503  255.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8545  215.1177  254.6067 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8129  217.8269  251.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.8602  215.1283  254.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4473  214.2001  254.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-108.33775502,133.92251878,-82.61710978,62.10924412,57.69889439,-171.89928776
-171.37036276,-98.36534441,70.47172636,197.56574669,215.20992602,254.96561242
-0.99731142,0.21046559,-0.80852699

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445480/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1162

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.576

>  <SCORE.INTRA>
-8.2838

>  <SCORE.INTRA.DIHEDRAL>
0.233341

>  <SCORE.INTRA.DIHEDRAL.0>
2.76636

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.00047

>  <SCORE.INTRA.VDW.0>
0.740062

>  <SCORE.INTRA.norm>
-0.331352

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.244648

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  213.3177  189.2487  245.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5827  189.1746  244.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2338  189.5743  244.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4014  189.5763  243.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0689  189.8439  243.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1042  189.8575  242.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4560  189.6132  241.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8037  189.3683  241.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7754  189.3588  242.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5238  189.6015  240.2716 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1487  189.7635  240.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5111  189.9309  241.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4086  189.7063  239.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1003  188.3555  238.6799 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1727  187.6460  238.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3201  188.0609  238.2178 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7731  186.2814  237.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7780  185.4301  237.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4638  184.1478  236.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1332  183.7115  236.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1224  184.5438  237.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4457  185.8268  237.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7952  182.3762  236.3767 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.7179  181.6798  235.9312 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6056  182.0306  236.4110 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.8951  189.3787  239.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  2  23   1  25  -1
M  END
>  <CHROM.1>
179.94186868,173.94660907,-3.08775661,85.83192618,-74.17453509,2.99719883
179.21800113,207.34718484,187.36173573,239.89880193,-0.87512841,0.56989423
-2.71131944

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445481/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.23951

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-3.16049

>  <SCORE.INTRA.DIHEDRAL>
-4.07409

>  <SCORE.INTRA.DIHEDRAL.0>
6.52328

>  <SCORE.INTRA.POLAR>
-0.505575

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.595515

>  <SCORE.INTRA.VDW.0>
1.15896

>  <SCORE.INTRA.norm>
-0.126419

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.369581

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  191.2478  216.5271  260.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2073  215.6985  259.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8923  214.2436  259.7260 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.2225  213.4186  260.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6997  211.9299  260.7312 N   0  3  1  0  0  0  0  0  0  0  0  0
  189.1369  211.4214  261.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.3332  211.4066  259.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0243  212.2555  258.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8964  213.3467  258.9624 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.8961  212.6397  259.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1899  211.9260  261.0988 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.8320  210.5228  261.4739 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8115  209.2198  260.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1449  208.1215  261.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9960  206.9169  260.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4652  206.7016  259.3282 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0701  207.7134  258.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4615  207.4576  257.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0592  208.4339  256.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2970  209.6814  257.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9222  209.9541  258.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2846  209.0021  259.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1492  210.7531  262.0101 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7066  211.1425  261.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5 11  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 12 23  1  6  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
114.27863696,54.16736752,-118.01910051,-64.10621798,191.35689930,210.86865653
259.67438043,-2.34163358,-1.19244511,2.58531505

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445482/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.98644

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-3.41356

>  <SCORE.INTRA.DIHEDRAL>
-4.32975

>  <SCORE.INTRA.DIHEDRAL.0>
7.85623

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.24869

>  <SCORE.INTRA.VDW.0>
-2.08213

>  <SCORE.INTRA.norm>
-0.155162

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.226656

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000835

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  219.1720  184.8412  248.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3828  184.5500  249.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7580  185.6925  250.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1709  186.1450  250.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5130  185.3237  248.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2775  187.6484  249.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0072  188.4110  250.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5287  188.2052  248.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3872  187.8203  248.4236 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2222  189.0971  247.8109 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5708  189.5884  248.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5924  191.0970  248.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9271  191.8412  247.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5193  191.3043  246.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5149  189.7846  246.6942 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.1141  189.4054  245.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1673  188.8074  245.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3906  189.8741  244.2773 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8208  189.6349  243.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
118.80159463,44.55786877,-11.72534212,178.23068423,220.01275747,188.32043927
247.97516113,1.99117817,1.13929060,2.13753882

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445483/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.49074

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-3.90926

>  <SCORE.INTRA.DIHEDRAL>
-7.1954

>  <SCORE.INTRA.DIHEDRAL.0>
14.7036

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.311563

>  <SCORE.INTRA.VDW.0>
-0.909149

>  <SCORE.INTRA.norm>
-0.217181

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.249485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021434

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  201.7915  199.8500  250.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9862  199.4740  251.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2280  199.9303  251.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2914  199.4563  251.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5864  199.6977  251.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8296  199.2942  252.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9228  198.3426  253.7482 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.1450  199.7275  251.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6735  198.6453  253.2950 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.8109  198.3047  252.5113 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
2.65366794,205.27100697,199.02592679,252.32945224,-2.94409414,0.10258509
2.15605738

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445484/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.97207

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-1.42793

>  <SCORE.INTRA.DIHEDRAL>
-3.16514

>  <SCORE.INTRA.DIHEDRAL.0>
3.18033

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.154639

>  <SCORE.INTRA.VDW.0>
-0.822574

>  <SCORE.INTRA.norm>
-0.142793

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.497207

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.075774

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 39  0  0  0  0  0  0  0  0999 V2000
  196.8819  193.3861  238.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8188  194.5317  239.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9599  194.4476  240.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8965  195.5841  241.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0525  195.4904  242.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9929  196.6143  244.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1509  196.5442  245.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0305  197.6762  246.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0958  198.9679  245.4108 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0016  200.0105  246.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9536  199.9327  247.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1748  201.2926  245.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1845  202.5275  246.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1537  203.7373  245.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2121  203.7198  244.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2080  202.4801  243.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1752  201.2787  244.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4124  204.9185  243.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2048  204.9232  242.0469 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1176  205.8305  243.9582 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5087  207.0173  243.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3467  208.0058  244.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5614  208.4749  245.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3727  209.4627  246.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5969  209.9195  247.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4218  210.9168  248.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6745  211.3778  249.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5025  212.3761  250.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9181  204.9477  246.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2041  205.0027  247.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1182  205.8026  245.6305 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7489  207.0068  246.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8100  207.9351  245.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4040  208.4035  244.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4438  209.3410  243.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0483  209.8011  242.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1131  210.7535  241.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7240  211.1947  240.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8098  212.1596  239.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <CHROM.1>
-179.21198515,-179.57111553,-179.53786088,-179.43954764,-179.35419696,-61.29238952
-179.60135437,4.81719174,-176.94584432,25.56186985,-165.42776357,174.73955424
-177.73746592,-60.10764439,179.75240993,-179.27866084,-179.52853290,-179.37241202
-179.62891388,177.46890938,-178.09798491,-59.52678656,-179.44719745,-179.90737690
-179.25455694,-179.45060995,-179.10907936,199.68353108,204.22839702,244.43060773
1.80322195,1.09137491,3.11190787

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445485/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.6246

>  <SCORE.INTER>
32.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
27

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.830769

>  <SCORE.INTRA>
-17.7754

>  <SCORE.INTRA.DIHEDRAL>
-34.2493

>  <SCORE.INTRA.DIHEDRAL.0>
40.7936

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0950995

>  <SCORE.INTRA.REPUL.0>
0.0950995

>  <SCORE.INTRA.VDW>
-0.175251

>  <SCORE.INTRA.VDW.0>
-2.80298

>  <SCORE.INTRA.norm>
-0.45578

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.374989

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029441

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  204.3606  206.3264  257.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0179  206.8600  257.1033 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9699  206.9042  255.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7314  205.5331  254.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4815  204.8079  255.5238 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0664  205.1966  254.9550 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.0031  204.9322  253.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2360  203.4679  253.1609 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6113  203.0636  253.7298 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6536  203.3699  255.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8866  201.5696  253.4086 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2100  201.3647  251.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0541  201.0195  254.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9432  199.9750  254.8652 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2823  201.7909  254.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6606  202.9608  253.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0014  203.2410  253.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4043  202.2507  254.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3575  201.3923  255.0231 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0779  202.6155  253.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4075  206.5534  255.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4971  204.8412  256.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8438  206.0480  257.6991 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.6092  206.9088  257.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4421  206.1977  258.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8724  205.1426  257.9930 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7435  204.9434  258.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7680  205.8517  259.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8609  206.6632  259.6635 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8106  205.9427  260.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7417  205.0519  260.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6538  204.0970  259.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6646  204.0443  258.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6035  203.0823  257.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5574  203.1601  256.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6596  202.2329  257.4152 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.4762  203.3326  259.4685 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2709  203.9318  258.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3547  200.5583  255.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2919  202.8746  260.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 33  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 37 38  1  0  0  0  0
 37 40  1  0  0  0  0
M  CHG  1  36  -1
M  END
>  <CHROM.1>
72.90168243,128.80525179,-3.97150166,179.12519499,-54.31922993,72.79458727
-1.31550850,200.31745266,204.10133929,256.38491433,-0.51194116,0.32298853
0.69596317

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445486/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.47094

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.326316

>  <SCORE.INTRA>
-4.92906

>  <SCORE.INTRA.DIHEDRAL>
-2.81988

>  <SCORE.INTRA.DIHEDRAL.0>
7.32319

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.51912

>  <SCORE.INTRA.VDW.0>
-0.840267

>  <SCORE.INTRA.norm>
-0.129712

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.196604

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001128

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  204.3508  199.4471  239.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8430  199.7394  238.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1727  200.9410  237.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0414  201.8190  238.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5236  201.5599  240.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1979  200.3475  240.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1635  202.6898  240.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5091  203.5645  240.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4323  203.0380  238.8250 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0054  204.8017  240.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1697  205.1490  241.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8115  204.2862  242.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3220  203.0518  242.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8949  204.7081  244.0686 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.4708  205.6165  244.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.4670  204.0476  245.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5111  204.4937  246.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1598  203.6570  247.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2421  204.0207  248.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6545  205.2224  249.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9952  206.0200  248.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9140  205.6751  246.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7097  205.6154  250.4118 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3571  204.8209  251.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9631  203.6267  250.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9024  203.2203  249.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 26  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
179.35165480,203.44280485,203.43557060,243.97501089,-1.72988552,-1.07230996
1.14258162

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445487/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.18372

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.256

>  <SCORE.INTRA>
-1.21628

>  <SCORE.INTRA.DIHEDRAL>
-2.64675

>  <SCORE.INTRA.DIHEDRAL.0>
2.6493

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.107097

>  <SCORE.INTRA.VDW.0>
-0.367505

>  <SCORE.INTRA.norm>
-0.0486511

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.207349

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000538

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  208.7712  205.5467  235.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5096  204.7099  235.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6787  205.3139  236.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5020  204.6696  236.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1740  203.6126  236.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7775  205.3433  237.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6468  204.9459  238.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2710  205.7986  239.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0661  206.8373  239.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3033  206.8553  238.3328 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.0524  207.8508  240.4310 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0066  208.9379  240.6124 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.2594  209.0078  242.1289 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.9003  208.5840  242.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3799  208.8820  243.6471 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2478  207.7066  241.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2619  207.0390  241.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3577  208.0673  242.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0227  208.2866  243.5943 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5986  206.7931  241.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6021  205.8018  241.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7888  204.6170  241.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9566  204.4255  240.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9546  205.3927  240.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7783  206.5712  241.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2008  203.3068  239.6168 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0071  202.5455  239.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2248  202.4046  240.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7839  203.6851  241.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4793  210.2807  240.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1395  210.6893  240.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6912  211.9138  239.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5645  212.7643  239.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8972  212.3883  238.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3540  211.1612  239.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0412  212.3591  239.9363 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.8027  203.7425  238.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  6  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 29  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-179.05120706,2.66029145,-170.22992153,172.27267864,39.92976410,153.80350635
-65.41356015,204.91586174,207.12466559,239.80440208,0.20118974,1.16161743
-1.48185615

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445488/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.78029

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335135

>  <SCORE.INTRA>
-4.61971

>  <SCORE.INTRA.DIHEDRAL>
3.64537

>  <SCORE.INTRA.DIHEDRAL.0>
12.3909

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.44239

>  <SCORE.INTRA.VDW.0>
-2.20867

>  <SCORE.INTRA.norm>
-0.124857

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.210278

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  207.6869  201.8659  246.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2166  201.8786  247.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6376  200.9000  248.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5294  199.8885  248.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9490  198.8793  249.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8295  197.8679  248.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2910  197.8822  247.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8944  198.8781  246.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0086  199.8844  247.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5815  200.8771  246.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2151  196.8558  249.7598 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8533  195.4952  249.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7108  195.0701  250.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2794  193.7379  250.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9855  192.8062  249.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1815  193.2161  248.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6009  194.5447  249.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5192  191.4787  249.4415 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5780  191.0102  248.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0370  190.3351  247.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1409  189.8211  246.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5893  189.1499  245.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6806  188.6377  244.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3124  188.7924  244.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8497  189.4635  245.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7507  189.9806  246.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2943  190.6469  247.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1978  191.1445  248.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0830  197.0270  250.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.3364  191.0427  250.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
109.63296406,-90.13801512,85.94917164,100.88976534,208.13241217,194.67363956
247.84921168,1.21130376,-0.94499891,-0.16048127

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445489/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.21221

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-1.18779

>  <SCORE.INTRA.DIHEDRAL>
-0.0678589

>  <SCORE.INTRA.DIHEDRAL.0>
1.95487

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15386

>  <SCORE.INTRA.VDW.0>
-1.24779

>  <SCORE.INTRA.norm>
-0.0424212

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.293293

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002449

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  216.7049  198.0564  255.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0658  196.8518  255.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1463  196.5683  254.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5264  195.2639  253.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6249  194.8557  252.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3255  195.7415  251.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9448  197.0473  251.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8478  197.4591  253.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3809  195.3106  250.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9159  195.9580  248.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4769  197.2886  248.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0843  197.9325  247.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1258  197.2470  246.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5486  195.9181  246.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9362  195.2774  247.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5540  194.3212  249.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
132.33001797,168.49958187,9.81888790,215.98829752,196.46302680,250.99985669
1.16091880,-1.28004222,1.12932664

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445506/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.97403

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-2.42597

>  <SCORE.INTRA.DIHEDRAL>
-4.76909

>  <SCORE.INTRA.DIHEDRAL.0>
8.06834

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0414251

>  <SCORE.INTRA.VDW.0>
1.33897

>  <SCORE.INTRA.norm>
-0.161731

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.398269

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  194.1353  205.3580  250.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6712  204.2235  251.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7018  203.0302  250.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0937  203.8322  250.7839 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3247  203.4569  249.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6353  202.7058  249.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7725  201.5568  249.8774 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0514  204.8915  251.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9224  204.5358  252.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6360  203.3268  252.1896 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8506  201.8965  250.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1540  203.1651  253.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-55.75275100,-165.14287243,111.54346761,53.50492654,-64.63292686,55.81407942
-179.54334560,196.44973231,203.64557048,250.72585655,-3.02556459,0.31354960
-2.32286546

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445508/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.38276

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-5.01724

>  <SCORE.INTRA.DIHEDRAL>
0.776058

>  <SCORE.INTRA.DIHEDRAL.0>
2.26417

>  <SCORE.INTRA.POLAR>
-0.86965

>  <SCORE.INTRA.POLAR.0>
-0.13035

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.44846

>  <SCORE.INTRA.VDW.0>
3.91795

>  <SCORE.INTRA.norm>
-0.501724

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.538276

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001500

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  198.1154  209.4875  245.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6721  208.0716  245.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2335  207.2085  246.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7761  205.7933  245.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1766  207.6196  247.3699 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7631  206.7978  248.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7939  207.7537  243.7720 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6790  207.8352  242.9404 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3572  206.9299  243.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1338  207.0664  243.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-98.20708843,179.52442874,-73.30376656,197.25354343,207.55107992,245.55727032
-1.34876606,1.15532647,1.63490767

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445509/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.53768

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-2.86232

>  <SCORE.INTRA.DIHEDRAL>
-1.24361

>  <SCORE.INTRA.DIHEDRAL.0>
1.77111

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.24051

>  <SCORE.INTRA.VDW.0>
4.12442

>  <SCORE.INTRA.norm>
-0.35779

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.56721

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.122474

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  190.9502  210.5798  251.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9445  210.7181  250.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3098  211.0971  248.7915 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.7016  211.1075  249.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6525  210.8077  250.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4908  211.4114  248.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5605  211.7184  247.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0037  212.0111  246.5900 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.3024  211.7519  248.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2070  211.4157  249.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8799  211.9227  248.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2820  211.7208  249.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8638  211.3666  250.7378 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2455  211.2470  251.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0520  211.0489  253.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4960  210.9902  254.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1234  211.1566  254.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2972  211.3401  253.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8635  211.3969  252.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4250  211.1269  256.2468 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.4466  212.5458  256.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0761  210.6166  255.9968 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4163  210.2434  257.1449 N   0  5  0  0  0  0  0  0  0  0  0  0
  183.5104  208.9624  256.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9243  208.4716  255.6384 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.2662  207.1454  255.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1841  206.6550  256.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6249  207.8896  257.4816 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.0630  212.4245  247.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3854  212.8409  246.1967 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8853  211.3676  250.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  3  0  0  0  0
M  CHG  1  23  -1
M  END
>  <CHROM.1>
-0.12670758,179.13561666,-171.48203813,91.98073600,-61.85994071,3.40342390
185.50908065,210.75319587,252.10490052,-0.98268474,-0.22608895,1.95132110

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445510/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-13.6344

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-25.0344

>  <SCORE.INTRA.DIHEDRAL>
-51.0541

>  <SCORE.INTRA.DIHEDRAL.0>
52.7513

>  <SCORE.INTRA.POLAR>
0.00699804

>  <SCORE.INTRA.POLAR.0>
-0.565111

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.468833

>  <SCORE.INTRA.VDW.0>
-3.6354

>  <SCORE.INTRA.norm>
-0.83448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.45448

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000243

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  189.6134  215.8346  249.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4757  216.7100  249.7919 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6905  216.6314  249.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0748  215.7985  248.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0904  214.9424  247.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8469  214.9680  248.2165 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4713  213.8342  246.3696 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.3972  216.0044  247.8495 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8074  216.9414  248.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8092  217.3572  249.5219 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9857  218.3497  250.5533 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8189  218.6322  251.5123 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5809  219.4274  252.5639 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8746  218.5906  252.6862 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.1278  218.0173  251.3730 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1110  219.3704  253.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4468  220.3368  252.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7744  220.7522  252.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2279  217.4976  252.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7447  214.2402  246.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6357  220.8675  251.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8982  221.1729  251.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.8202  216.9162  251.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <CHROM.1>
-1.46271872,2.96903172,-63.73149447,61.91765566,-64.55303030,54.79195125
192.41712419,217.22797016,249.98722655,1.94690669,-0.22242063,-2.25673179

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445511/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.19655

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-7.20345

>  <SCORE.INTRA.DIHEDRAL>
-13.7661

>  <SCORE.INTRA.DIHEDRAL.0>
18.9893

>  <SCORE.INTRA.POLAR>
0.024235

>  <SCORE.INTRA.POLAR.0>
-1.82314

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.402822

>  <SCORE.INTRA.VDW.0>
-0.457341

>  <SCORE.INTRA.norm>
-0.379129

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.0629764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008100

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  201.0038  208.8328  242.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1520  209.3917  243.5049 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4935  210.8371  243.0511 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.7377  211.4705  243.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2043  212.8139  244.2337 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.2072  212.5571  245.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9346  212.1170  244.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4225  211.9610  243.2043 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2831  213.2274  243.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8152  209.2424  244.9224 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6162  208.6086  245.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6782  208.0603  245.5815 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1160  208.5903  247.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0269  209.4071  247.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5392  209.4156  248.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1385  208.6244  249.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1952  207.7827  249.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6810  207.7609  248.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1963  210.5063  249.3479 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.0118  210.4184  250.7809 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4550  211.7720  248.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8604  209.8273  248.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0243  209.3224  247.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9730  210.2047  246.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0665  209.7062  244.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1843  208.3347  244.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2341  207.4559  245.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1692  207.9514  247.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0306  210.7869  243.5342 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.8806  209.5056  245.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9872  210.2987  248.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 10  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-173.46828368,125.68977201,-11.58326808,-173.38335464,-40.79307206,-82.33985350
200.47938258,209.99811384,246.15238288,1.19343126,0.02470285,-1.26726419

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445512/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.95823

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-3.44177

>  <SCORE.INTRA.DIHEDRAL>
-1.97367

>  <SCORE.INTRA.DIHEDRAL.0>
6.14193

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.45494

>  <SCORE.INTRA.VDW.0>
-4.51125

>  <SCORE.INTRA.norm>
-0.118682

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.274422

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  199.4833  217.0280  242.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6314  215.8307  243.5318 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5460  215.9992  245.0083 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.1305  216.2570  245.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8130  216.1734  247.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6629  216.7138  247.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4989  216.4049  249.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4704  215.5601  249.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5789  215.0660  248.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7443  215.3751  247.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2486  214.7670  245.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3474  214.9176  246.2066 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6578  213.5287  245.7308 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3699  213.0715  245.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8482  212.1409  246.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1064  211.4922  246.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2195  212.5166  246.6384 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4992  211.8080  246.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4853  211.6276  246.8084 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3839  211.3355  244.8206 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2472  211.6905  243.6805 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7084  211.3607  242.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3575  211.9437  241.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1083  212.8438  240.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0334  213.5690  241.3863 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1781  212.6100  241.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7881  212.6428  241.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1782  211.4966  242.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9492  210.4227  242.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3615  210.4585  242.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0061  211.5702  242.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5160  213.2015  243.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6877  214.0435  243.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8110  213.6400  244.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2637  215.0009  244.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3890  215.0421  242.6752 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.3595  215.9624  244.3443 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.4425  215.3994  244.5581 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.7067  213.6676  245.9068 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.7986  212.7126  244.3024 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.4968  215.3345  243.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4541  211.0020  244.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1533  214.4279  241.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  1  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  6  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 23 31  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <CHROM.1>
73.62831159,167.53352846,108.10009597,42.65932873,134.88628694,122.58137597
-163.27694575,54.72976640,-82.85762868,119.62118355,149.43384368,-55.23917768
200.41002971,213.72463136,244.73406730,-2.74699954,-0.17483024,-2.19985050

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445513/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.1452

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435

>  <SCORE.INTRA>
-13.2548

>  <SCORE.INTRA.DIHEDRAL>
-3.07381

>  <SCORE.INTRA.DIHEDRAL.0>
12.3085

>  <SCORE.INTRA.POLAR>
-2

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.9179

>  <SCORE.INTRA.VDW.0>
-8.08333

>  <SCORE.INTRA.norm>
-0.33137

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.10363

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000285

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  202.7111  203.1943  260.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5635  204.5111  260.1268 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.2607  204.5055  259.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0689  205.5793  258.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0631  205.2927  256.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9555  206.3016  255.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8965  207.6397  256.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8103  207.9330  257.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8469  206.9105  258.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7344  207.3036  259.9214 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3765  207.2789  260.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0637  209.2940  255.0165 I   0  0  0  0  0  0  0  0  0  0  0  0
  201.0314  205.8408  254.5980 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9096  206.1308  253.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6194  205.6132  261.0915 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1952  206.4503  260.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5946  205.8652  261.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
-167.01823328,-159.38086056,111.56697673,121.75497700,-91.12954067,201.11004389
207.29235311,256.92187812,-0.44567560,1.43656055,-2.07066816

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445514/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24634

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-4.15366

>  <SCORE.INTRA.DIHEDRAL>
2.61297

>  <SCORE.INTRA.DIHEDRAL.0>
7.92272

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.06015

>  <SCORE.INTRA.VDW.0>
1.11371

>  <SCORE.INTRA.norm>
-0.276911

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.416422

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000374

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  198.4576  193.4906  242.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1017  193.2223  244.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8042  191.9768  244.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4114  194.4168  245.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7630  194.7847  245.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1409  195.7790  246.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1632  196.4098  246.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8222  196.0443  246.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4280  195.0669  245.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0484  194.8541  245.6480 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1670  194.4745  246.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9195  195.1618  247.6489 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4895  193.1324  246.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1597  192.0758  245.6417 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7674  190.9177  246.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7473  191.0411  247.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3914  189.9115  247.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0341  188.6408  247.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0295  188.4860  246.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4222  189.6348  245.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5909  187.1008  245.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9234  186.4287  246.8734 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.7423  187.1237  244.8253 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.6284  186.2953  245.5316 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.1943  192.5789  247.8803 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.0746  192.1490  243.9579 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.1637  193.5287  243.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9509  191.1284  243.4300 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4022  191.6034  243.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7774  194.6403  244.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
-66.46855345,126.82576796,62.85028362,28.83792202,104.42357232,-55.22154684
37.75876142,68.79778879,196.47519845,191.85510751,245.70337455,1.14946811
-0.76585838,-0.29363710

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445515/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.47071

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-7.92929

>  <SCORE.INTRA.DIHEDRAL>
-5.84376

>  <SCORE.INTRA.DIHEDRAL.0>
20.2408

>  <SCORE.INTRA.POLAR>
-0.886034

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.9949

>  <SCORE.INTRA.VDW.0>
-4.85573

>  <SCORE.INTRA.norm>
-0.273424

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.188645

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  202.0796  220.2410  259.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8744  220.6440  257.7595 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5773  220.0284  257.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6324  218.5149  256.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5720  218.1350  255.9859 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1396  218.7893  254.4439 P   0  0  1  0  0  0  0  0  0  0  0  0
  202.1427  219.9240  254.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8966  217.5205  253.7729 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7072  219.4436  252.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6123  220.0601  251.7562 P   0  0  0  0  0  0  0  0  0  0  0  0
  200.8289  220.4931  250.5566 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4085  221.3053  252.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7591  219.0502  251.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8960  222.1752  257.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4271  222.6375  256.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3842  223.2497  256.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2566  222.2862  255.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9766  220.1200  256.9911 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3376  217.6956  252.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5028  221.2249  253.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3508  219.4474  250.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9293  222.6595  254.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8446  220.3915  256.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <CHROM.1>
-68.99430363,-168.33834061,-179.23666203,-67.23693204,-61.33908187,98.78792366
-146.39777554,81.24137288,178.92160911,24.42053438,-176.29512278,111.49536922
-176.68942135,201.62176656,220.14069154,254.73105472,-2.85922676,1.56221655
-0.47181679

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445516/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.150084

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.744444

>  <SCORE.INTRA>
-13.5501

>  <SCORE.INTRA.DIHEDRAL>
-1.65761

>  <SCORE.INTRA.DIHEDRAL.0>
7.96354

>  <SCORE.INTRA.POLAR>
-3.13654

>  <SCORE.INTRA.POLAR.0>
-0.766215

>  <SCORE.INTRA.REPUL>
-0.00304716

>  <SCORE.INTRA.REPUL.0>
0.00304716

>  <SCORE.INTRA.VDW>
-2.04182

>  <SCORE.INTRA.VDW.0>
1.80723

>  <SCORE.INTRA.norm>
-0.752782

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
-0.00833802

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.273845

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  211.1447  205.1290  245.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7113  205.5567  245.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0790  204.6367  246.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7808  204.9198  246.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1614  205.8821  246.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2160  203.8629  247.5100 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6840  204.4623  248.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3829  204.2575  250.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8653  204.7117  251.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6440  205.3815  251.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9530  205.6212  250.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4701  205.1710  248.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8798  202.9145  246.6516 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.4471  201.7791  247.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0819  201.6283  249.0163 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4405  200.6396  249.7164 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4208  200.1850  249.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3794  200.9213  247.8236 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4429  200.7632  246.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5962  199.0261  249.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8630  198.4080  250.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1671  197.2653  251.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1848  196.7254  250.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8730  197.3404  249.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5629  198.4940  248.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3501  195.3000  250.6928 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
179.86718269,0.56523940,123.41633761,-108.74675205,178.30797368,-6.89600705
3.35888344,205.34715186,201.69799722,248.54854435,-0.29895086,-0.94911928
-2.29026969

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445517/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.50977

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-3.89023

>  <SCORE.INTRA.DIHEDRAL>
-9.07586

>  <SCORE.INTRA.DIHEDRAL.0>
10.9241

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.647699

>  <SCORE.INTRA.VDW.0>
-2.56144

>  <SCORE.INTRA.norm>
-0.149624

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.327299

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  183.0467  223.6313  258.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4241  223.4110  258.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9498  222.1820  257.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1107  221.1577  257.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7227  221.3755  257.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1950  222.6140  257.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9472  219.6043  256.7034 P   0  0  0  0  0  0  0  0  0  0  0  0
  184.2129  218.2057  257.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9229  216.9966  257.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3695  215.8841  258.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1014  215.9697  258.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3875  217.1673  258.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9348  218.2796  258.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1605  219.4412  255.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1878  218.4749  254.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6418  218.4263  253.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0533  219.3433  252.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0109  220.3100  252.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5615  220.3559  254.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
124.09659663,-161.12554712,-107.39574612,183.76223849,219.62163429,256.60133208
-0.95093800,1.56268383,2.24119711

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445518/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.05217

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-0.347835

>  <SCORE.INTRA.DIHEDRAL>
-0.256

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.219835

>  <SCORE.INTRA.VDW.0>
-2.26683

>  <SCORE.INTRA.norm>
-0.0183071

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.423798

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016820

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  190.6159  208.7870  247.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0010  210.1995  247.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1413  211.0572  247.9899 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4485  210.5547  247.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7739  211.8751  248.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1084  212.2743  248.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1458  211.3691  248.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8211  210.0422  247.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4811  209.6330  247.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5121  211.7169  248.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0469  212.9776  248.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4109  214.0237  248.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5708  212.9916  248.5390 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.0195  214.1751  249.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0710  215.5014  248.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0588  216.5739  249.2799 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2092  215.4778  247.3172 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1819  214.3678  246.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0264  214.5312  245.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8136  213.4011  244.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1873  212.0323  244.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8520  211.8865  246.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4276  210.8162  246.6971 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2805  213.0200  247.1809 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.1743  210.9720  247.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1833  216.4032  246.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  6  0  0  0
 13 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 22  1  6  0  0  0
 24 18  1  0  0  0  0
M  END
>  <CHROM.1>
179.88339575,-5.09437625,-152.20180045,196.34469773,212.49359944,247.52982591
-2.83620651,0.41289859,0.74242920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445519/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.16668

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.23332

>  <SCORE.INTRA.DIHEDRAL>
-0.640392

>  <SCORE.INTRA.DIHEDRAL.0>
2.55476

>  <SCORE.INTRA.POLAR>
-0.062413

>  <SCORE.INTRA.POLAR.0>
-0.367823

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.29908

>  <SCORE.INTRA.VDW.0>
-0.33533

>  <SCORE.INTRA.norm>
-0.00972167

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.340278

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  222.8567  195.6570  224.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9366  197.0446  224.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3584  197.6968  226.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6979  196.9464  227.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6247  195.5389  227.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1993  194.9201  226.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0067  194.7023  228.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7869  195.2841  229.3998 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.2228  194.5343  230.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9513  193.1770  230.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1465  192.5952  229.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6616  193.3587  228.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5134  192.4321  231.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2892  193.0323  232.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6246  194.4740  232.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3345  195.0352  233.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0587  195.2562  231.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3117  196.4483  231.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.9549  192.1567  234.0250 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.2479  191.0753  231.8831 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0649  197.7116  228.4704 N   0  3  0  0  0  0  0  0  0  0  0  0
  224.9944  198.5230  228.3491 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3410  197.5805  229.4678 O   0  5  0  0  0  0  0  0  0  0  0  0
  224.6844  190.7440  231.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
-17.99190892,-0.76105660,224.91634732,194.85816356,229.88776350,2.41305017
-1.04369167,-0.25075731

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445520/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.11335

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-0.286651

>  <SCORE.INTRA.DIHEDRAL>
-1.37725

>  <SCORE.INTRA.DIHEDRAL.0>
1.81083

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.401974

>  <SCORE.INTRA.VDW.0>
-0.79075

>  <SCORE.INTRA.norm>
-0.0124631

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.265798

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000246

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  201.0111  213.5697  253.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0921  212.7180  254.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1605  211.6881  254.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1323  211.5032  253.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0578  212.3720  252.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9957  213.3963  252.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1499  210.3923  253.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9339  210.4368  253.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9230  209.3774  253.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6934  208.9652  254.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7947  207.9318  255.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1174  207.2946  253.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3466  207.6852  252.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2423  208.7187  252.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6652  211.4219  252.2435 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5400  211.4083  251.7321 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5747  209.4760  254.7182 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5599  208.0633  254.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6644  207.5672  253.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6553  206.1930  252.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5100  205.2924  254.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3420  205.7682  255.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3503  207.1447  255.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1066  209.6580  255.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
159.35157923,-132.32645153,43.82908736,-179.05942875,26.96588438,197.69661359
209.51306240,253.63329456,-0.99041160,0.26828048,2.82505498

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445521/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.088

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-7.312

>  <SCORE.INTRA.DIHEDRAL>
-19.92

>  <SCORE.INTRA.DIHEDRAL.0>
28.5932

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.64801

>  <SCORE.INTRA.VDW.0>
-4.11792

>  <SCORE.INTRA.norm>
-0.317913

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.134261

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000394

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  213.4540  187.6551  239.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0290  188.4914  240.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0579  189.5197  241.1403 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.6733  190.0521  240.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.7907  188.9645  241.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7022  190.0091  241.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7520  190.5384  242.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6764  191.4997  241.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9888  192.4667  240.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3364  192.1935  238.9103 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1911  193.0697  238.1086 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.5478  193.0566  236.6945 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.9355  191.6852  236.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5910  191.0138  235.7493 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6304  191.3036  238.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7496  190.5521  238.5078 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4815  194.1375  236.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3620  193.9696  237.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8043  195.3635  235.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9655  195.7558  235.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7183  197.0441  234.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4349  197.9635  233.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8115  199.1697  233.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5177  199.4690  234.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7943  198.5716  234.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4277  197.3723  235.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8736  196.3515  235.8344 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6562  192.6608  238.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6290  193.6643  237.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9902  193.3518  237.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4098  192.0351  238.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4674  191.0314  238.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1102  191.3466  238.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2470  190.3418  238.4708 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  6  0  0  0
 12 13  1  0  0  0  0
 12 17  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-50.51272396,-164.32898585,70.58974908,66.52498560,-113.85068011,-109.31702174
-151.30412415,-78.96902205,0.16177655,214.48738714,192.94184922,237.81904457
1.62363073,-0.13318987,2.51699938

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445530/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.7883

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-2.61171

>  <SCORE.INTRA.DIHEDRAL>
3.9883

>  <SCORE.INTRA.DIHEDRAL.0>
6.29068

>  <SCORE.INTRA.POLAR>
-0.727831

>  <SCORE.INTRA.POLAR.0>
-0.772169

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.13124

>  <SCORE.INTRA.VDW.0>
-1.32665

>  <SCORE.INTRA.norm>
-0.0791428

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.357221

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000114

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  221.9230  190.9204  244.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5910  190.4958  244.7786 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.7887  189.4681  243.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4785  188.0896  243.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6724  187.0673  243.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2489  186.9476  243.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5462  188.2985  243.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3252  189.3393  244.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8227  189.9630  246.1341 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2697  190.7379  247.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4087  191.9532  247.0889 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5688  190.0591  248.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7541  188.9999  249.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2256  188.2568  250.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3365  188.6823  250.8102 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0744  189.7258  250.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2094  190.1170  251.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0800  191.1262  250.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8154  191.7960  249.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6608  191.4638  248.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7700  190.4329  249.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5697  187.0050  250.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2795  186.1096  251.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6665  184.9914  252.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3127  184.7270  252.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5800  185.5833  251.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2015  186.6867  250.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4092  188.7167  248.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4086  187.6371  247.4373 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4818  186.6724  247.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1551  185.2124  247.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7961  184.8962  246.8415 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7685  185.8279  246.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6020  185.4876  246.6561 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1076  187.2978  246.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5182  183.4996  246.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5262  183.2477  245.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2349  181.7920  244.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2592  181.5905  243.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5668  188.9999  246.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.0704  180.6524  243.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 35  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 36  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
>  <CHROM.1>
68.87011700,66.85022143,-39.03288084,97.44266334,160.74272246,20.20908505
-98.49368622,-179.99120119,-179.60130832,179.98945146,220.27678222,187.64546227
247.44874719,-0.11011625,-1.00509848,-1.02462202

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445531/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.00795

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.369231

>  <SCORE.INTRA>
-7.39205

>  <SCORE.INTRA.DIHEDRAL>
-4.14034

>  <SCORE.INTRA.DIHEDRAL.0>
16.2153

>  <SCORE.INTRA.POLAR>
-0.944052

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.1121

>  <SCORE.INTRA.VDW.0>
-2.51547

>  <SCORE.INTRA.norm>
-0.18954

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.179691

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002997

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  220.4787  191.6449  234.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7521  190.1997  234.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4561  189.3942  235.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5730  189.5188  233.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5734  190.1778  236.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0581  190.7197  237.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9558  191.2489  237.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9675  190.6347  238.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1550  189.9957  238.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7071  189.9362  239.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7448  189.4175  240.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5006  189.7897  241.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3292  190.5297  241.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8657  190.5902  240.3868 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6693  191.1030  239.7161 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.4068  190.5401  240.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4156  191.4151  240.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2532  190.9189  241.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0635  189.5444  241.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0308  188.6625  241.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1929  189.1552  240.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7497  189.4250  237.1345 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1433  189.4561  236.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.1034  188.4900  237.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
63.53951678,-1.02900758,-4.11410163,-4.54993801,-123.53359646,221.34815859
190.20472076,238.55220563,1.63317466,0.07469639,-1.55068964

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445532/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.93902

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-2.46098

>  <SCORE.INTRA.DIHEDRAL>
-1.76089

>  <SCORE.INTRA.DIHEDRAL.0>
3.00711

>  <SCORE.INTRA.POLAR>
-0.630869

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.56442

>  <SCORE.INTRA.VDW.0>
-1.56481

>  <SCORE.INTRA.norm>
-0.111863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.360864

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  217.3408  184.5716  246.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7831  183.1869  246.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0842  182.8588  246.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2218  183.7541  246.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4867  183.3210  246.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8093  181.9509  246.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8387  181.0687  247.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4108  181.4645  247.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5707  180.6527  247.5815 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1628  181.7094  246.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5918  180.4014  246.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7192  182.2704  246.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0994  181.9298  247.7108 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8361  182.4641  247.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3198  183.3212  247.2649 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2110  181.9248  249.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9814  182.2010  249.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8666  181.3675  250.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0211  180.6262  250.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8489  180.9622  249.9051 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0134  181.3726  246.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5280  181.2381  248.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-101.26830007,-149.06157031,105.48766331,-179.86193762,217.73190360,182.07651861
247.73525712,0.22123551,0.24341119,-0.73331296

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445533/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.12609

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-1.27391

>  <SCORE.INTRA.DIHEDRAL>
1.20454

>  <SCORE.INTRA.DIHEDRAL.0>
0.932497

>  <SCORE.INTRA.POLAR>
-0.168986

>  <SCORE.INTRA.POLAR.0>
-0.00291373

>  <SCORE.INTRA.REPUL>
0.000814283

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.3057

>  <SCORE.INTRA.VDW.0>
0.716684

>  <SCORE.INTRA.norm>
-0.0636956

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.406304

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  194.2756  212.7990  255.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9743  211.5147  255.4295 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3611  211.7712  255.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2417  210.7327  256.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0211  209.9012  255.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2416  208.8924  254.8972 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0720  209.3160  253.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2767  209.9473  252.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5246  209.3221  252.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6935  209.8853  252.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6324  211.0731  251.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4024  211.6960  251.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2324  211.1430  252.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2735  207.4815  255.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3260  206.4605  254.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3992  205.1217  254.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3942  204.7840  255.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3061  205.7968  256.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2489  207.0957  256.5422 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
83.65557948,57.73973710,-91.41327415,85.98893214,172.51660803,44.40499423
194.31460834,209.25810450,254.48860934,0.42914339,1.18008393,0.68697958

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445534/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.05579

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-3.34421

>  <SCORE.INTRA.DIHEDRAL>
-2.35921

>  <SCORE.INTRA.DIHEDRAL.0>
7.26189

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.1646

>  <SCORE.INTRA.VDW.0>
-0.764769

>  <SCORE.INTRA.norm>
-0.176011

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.423989

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013148

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  219.1013  177.2781  239.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5116  177.4625  241.1669 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.2110  176.6030  242.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4816  175.6201  242.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0903  174.8334  243.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4350  175.0215  244.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1737  175.9922  243.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5675  176.7779  242.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5477  178.8614  241.5710 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3899  179.5719  241.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2764  179.0530  241.7469 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5918  181.0701  242.1174 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2513  181.7447  241.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9492  181.1693  243.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0620  180.5075  243.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8691  179.3185  244.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9520  178.6334  245.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2372  179.1433  245.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4481  180.3207  244.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3629  180.9960  243.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7077  178.2479  245.8653 Br  0  0  0  0  0  0  0  0  0  0  0  0
  217.1363  178.5745  244.9082 Br  0  0  0  0  0  0  0  0  0  0  0  0
  219.4493  179.3025  241.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-117.93627268,116.68781980,158.96910453,58.32994318,-103.55409640,219.35031722
178.49463742,243.84750001,3.10846841,-0.58235024,0.43779170

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445535/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.26296

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-5.13704

>  <SCORE.INTRA.DIHEDRAL>
-1.54529

>  <SCORE.INTRA.DIHEDRAL.0>
9.33979

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.3644

>  <SCORE.INTRA.VDW.0>
-0.953348

>  <SCORE.INTRA.norm>
-0.233502

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.239225

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  227.4728  188.0068  240.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2930  188.3330  240.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0645  189.6671  241.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9093  190.5656  241.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5276  191.9129  241.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3178  192.3961  241.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4782  191.4922  240.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8622  190.1457  240.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9089  193.7529  241.4274 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6212  194.7597  242.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7749  194.6457  242.4957 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8757  196.0928  242.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6653  195.9034  243.6006 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.3205  194.1982  243.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3252  193.6101  243.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4892  192.2539  243.1928 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.5725  192.0181  243.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1782  193.2521  244.2271 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.3923  193.4558  244.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5457  194.5918  245.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7961  194.9196  246.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8809  194.0745  246.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7141  192.8964  245.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4818  192.5926  244.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0227  190.6677  244.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7623  190.4369  245.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3518  189.1976  245.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1649  188.1491  244.8567 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.3424  188.3478  243.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7615  189.5708  243.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1239  190.1300  242.1343 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.1242  189.5818  243.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0249  194.0003  240.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-58.24104331,-88.17304635,-0.20275392,76.56541812,-24.99004258,-93.71090364
-151.99383483,32.32043041,225.37532437,192.06074558,243.22555628,0.99295891
1.15084887,-2.30242150

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445536/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3439

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-7.0561

>  <SCORE.INTRA.DIHEDRAL>
7.54226

>  <SCORE.INTRA.DIHEDRAL.0>
14.9046

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.8272

>  <SCORE.INTRA.VDW.0>
1.78372

>  <SCORE.INTRA.norm>
-0.220503

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.198247

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000232

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  187.9610  220.6699  250.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7516  219.6002  251.5964 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8834  219.2690  250.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6523  218.0091  251.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7243  216.7942  251.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1905  216.3712  249.9111 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0398  214.9071  249.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9046  214.3655  250.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5828  215.0741  250.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7426  216.5925  250.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9173  217.0089  249.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0988  214.6699  249.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0679  213.7262  249.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4913  214.2151  250.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6275  214.6845  251.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2214  220.0017  252.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2403  219.7003  254.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8004  218.2579  254.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6835  217.2348  254.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2632  215.9005  254.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9392  215.5779  254.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0661  216.6068  253.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4903  217.9351  253.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5848  214.2531  254.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3392  213.9462  254.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0780  214.8592  254.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2291  214.6495  253.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-170.31838504,87.54866328,56.25990593,67.49130985,145.18290287,51.20366074
73.25771294,-61.37938077,133.84878019,187.71953561,216.43725899,252.04572856
-0.09706375,-1.00534158,-1.47557576

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445537/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.03004

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-6.36996

>  <SCORE.INTRA.DIHEDRAL>
8.4243

>  <SCORE.INTRA.DIHEDRAL.0>
1.5417

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.5821

>  <SCORE.INTRA.VDW.0>
6.23972

>  <SCORE.INTRA.norm>
-0.235924

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.297409

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  192.9793  207.2646  264.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0913  208.1458  265.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9632  207.5662  265.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0799  208.3359  266.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3121  209.6975  266.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4200  210.2942  266.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3077  209.5260  265.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3353  210.2056  264.6365 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4275  210.7653  265.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3415  211.4473  264.6575 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2581  211.5798  263.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2683  212.2699  262.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2507  212.3733  261.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2221  211.7891  260.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2005  211.1112  261.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2273  211.0148  262.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1674  210.3007  263.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2259  209.8371  262.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6209  210.5705  266.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6106  209.1489  267.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3044  208.2904  266.7151 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8325  208.8104  268.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-114.09026248,53.63544258,49.28077517,193.57257648,209.97507468,264.61819238
2.13415647,0.41293789,1.89171336

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445546/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.7434

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.6566

>  <SCORE.INTRA.DIHEDRAL>
-1.40695

>  <SCORE.INTRA.DIHEDRAL.0>
14.6146

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.953122

>  <SCORE.INTRA.VDW.0>
-2.71409

>  <SCORE.INTRA.norm>
-0.0752998

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.306518

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  182.6117  212.7956  263.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1238  212.9712  261.5385 S   0  0  0  0  0  0  0  0  0  0  0  0
  180.7596  213.4704  261.5146 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1811  213.6723  260.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0924  211.3045  260.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2330  210.7608  260.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2253  209.4272  259.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0937  208.6085  260.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9507  209.1853  260.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9491  210.5192  261.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1522  207.1419  259.6745 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.5758  206.1680  260.8245 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.9713  204.7730  260.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8827  204.1561  259.6168 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6908  206.7142  261.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.4744  207.5405  262.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3417  207.8473  263.0849 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7304  208.0321  263.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8661  209.7976  263.2504 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  184.6093  207.6086  265.1607 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  180.9134  206.7033  259.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.1858  203.2804  259.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.6176  206.7316  261.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.9708  205.7509  258.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  1  0  0  0
 12 13  1  6  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
-91.61532379,93.17137064,-165.47237609,-174.60441134,-60.11154392,87.76650327
-179.65169161,114.36223130,182.84572366,209.15931252,261.71631849,-1.69195894
0.96370392,-2.95883378

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445547/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.98885

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-4.41115

>  <SCORE.INTRA.DIHEDRAL>
0.291316

>  <SCORE.INTRA.DIHEDRAL.0>
4.38174

>  <SCORE.INTRA.POLAR>
-0.794159

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.85667

>  <SCORE.INTRA.VDW.0>
-3.42513

>  <SCORE.INTRA.norm>
-0.210055

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.332802

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003555

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  186.5497  221.5561  261.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9617  222.9828  261.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8739  223.7837  260.1668 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2434  225.0416  260.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6753  225.5383  261.5371 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7204  224.6496  262.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3791  223.3644  262.4318 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1657  225.1575  263.7236 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1290  224.3301  264.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1494  225.8540  259.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2795  226.6951  259.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-135.53249019,-134.22740674,187.57771813,224.48101467,261.43774376,1.23491979
1.10227406,2.28171439

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445548/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45097

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.94903

>  <SCORE.INTRA.DIHEDRAL>
4.82129

>  <SCORE.INTRA.DIHEDRAL.0>
0.000957734

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.35968

>  <SCORE.INTRA.VDW.0>
4.78041

>  <SCORE.INTRA.norm>
-0.0862755

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.586452

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002387

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  191.9116  218.8821  255.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4060  217.5126  254.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6640  216.5288  255.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1570  215.2807  255.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4060  214.9660  254.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1770  215.8826  253.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6455  217.2154  253.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4091  218.0293  252.5579 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4354  215.5461  251.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9373  214.2867  251.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1712  213.3639  252.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8983  213.6917  253.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0556  212.5903  254.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9241  211.7371  254.7183 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9608  212.5392  255.5901 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0474  211.6232  256.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6810  211.6773  257.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2770  212.9792  257.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6114  213.8080  256.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3797  212.7655  259.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4515  216.6888  257.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1814  217.0157  257.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9791  217.1921  259.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0435  217.0436  259.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3124  216.7194  259.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5181  216.5426  258.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
58.24861102,-148.86474428,-172.79616668,-177.08646921,-60.88215794,86.07335668
192.65714346,215.02077674,255.74326022,2.89532330,-1.23418935,2.76882240

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445549/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.0067

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-9.3933

>  <SCORE.INTRA.DIHEDRAL>
-10.0817

>  <SCORE.INTRA.DIHEDRAL.0>
21.4554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.519231

>  <SCORE.INTRA.REPUL.0>
0.551534

>  <SCORE.INTRA.VDW>
-1.75627

>  <SCORE.INTRA.VDW.0>
-0.596036

>  <SCORE.INTRA.norm>
-0.361281

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0771809

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000558

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  212.6040  188.5231  241.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6323  188.7930  240.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3492  190.1157  240.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0350  191.1801  240.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0040  190.8958  241.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2909  189.5740  242.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7099  192.8510  240.1530 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.4534  192.6046  238.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7620  192.9408  237.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8303  192.7396  236.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5827  192.1997  236.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2728  191.8409  238.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1983  192.0356  239.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8415  191.6929  240.5091 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8957  190.7345  240.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4233  189.9290  240.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4728  190.7189  242.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5487  190.3168  243.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9603  189.0370  242.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5147  188.2679  242.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1634  188.7496  243.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6161  187.4179  243.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7449  187.0156  244.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4458  187.9437  245.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0389  189.2789  245.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8869  189.6934  244.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5598  191.0543  244.6520 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9100  192.0456  243.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2431  192.3558  242.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1014  192.7740  244.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7420  193.8652  243.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8327  194.1613  244.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7999  193.2277  245.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7448  192.3910  245.3121 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4046  192.0878  241.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.7504  191.2894  245.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
1.53958804,-116.05108047,-155.84270679,-66.62605308,-64.87608091,2.21678260
175.85650652,-84.31433146,87.38585141,-175.93481624,210.73360743,190.92909207
241.91728551,0.94494656,0.80735687,2.30021984

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445550/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.05833

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-12.3417

>  <SCORE.INTRA.DIHEDRAL>
-9.82889

>  <SCORE.INTRA.DIHEDRAL.0>
18.4932

>  <SCORE.INTRA.POLAR>
-0.629724

>  <SCORE.INTRA.POLAR.0>
-0.370276

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.28616

>  <SCORE.INTRA.VDW.0>
-3.877

>  <SCORE.INTRA.norm>
-0.36299

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.089951

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  203.3833  199.1053  246.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5551  199.6373  247.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7581  199.1049  247.2702 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7914  199.6072  247.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6818  200.6075  248.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3947  201.0707  249.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3344  200.6127  248.4338 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1106  202.0954  250.0231 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9212  201.0757  249.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9029  202.4328  250.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4431  202.7506  249.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.9968  202.5573  250.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.7637  202.5982  250.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
150.59902411,137.39233585,-179.89614654,205.81287797,200.60803523,248.61824312
2.28931360,0.11332179,-2.42918301

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445551/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.84489

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-2.55511

>  <SCORE.INTRA.DIHEDRAL>
-1.92693

>  <SCORE.INTRA.DIHEDRAL.0>
3.10929

>  <SCORE.INTRA.POLAR>
-0.544533

>  <SCORE.INTRA.POLAR.0>
-0.350891

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.259766

>  <SCORE.INTRA.VDW.0>
-0.257947

>  <SCORE.INTRA.norm>
-0.255511

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.484489

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001569

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  219.6331  178.7740  241.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2863  179.1113  241.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8194  180.3877  241.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7435  181.3478  241.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0938  181.0169  242.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5730  179.7196  241.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0068  179.3749  241.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4860  178.0757  241.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8354  177.7409  241.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7394  178.7179  242.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2998  180.0177  242.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9454  180.3326  242.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1575  178.3791  242.4251 N   0  3  0  0  0  0  0  0  0  0  0  0
  226.5011  177.2092  242.1974 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.9252  179.2782  242.7902 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.5105  180.7581  241.1011 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2361  180.5158  240.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.8201  180.4724  241.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
-47.03316989,-1.09455403,222.05532555,179.36721002,241.91443851,2.94730234
-0.18420982,0.26122548

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445552/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.77239

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.62761

>  <SCORE.INTRA.DIHEDRAL>
-1.65493

>  <SCORE.INTRA.DIHEDRAL.0>
2.05182

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.199857

>  <SCORE.INTRA.VDW.0>
-0.187059

>  <SCORE.INTRA.norm>
-0.0392256

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.423274

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001665

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  216.8555  187.1144  240.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2055  188.3475  241.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8551  189.4240  240.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3666  190.4896  241.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1942  190.5255  242.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4836  189.5071  243.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9985  188.4151  242.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5062  187.2703  243.4086 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4469  186.7181  244.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3290  186.6938  245.5451 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2072  187.3521  246.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0694  187.5904  245.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1953  187.4102  243.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2036  187.4354  243.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9346  188.2188  245.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9747  188.6684  247.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1469  188.5104  247.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2626  187.8615  247.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1976  189.1352  249.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2539  189.7306  249.7486 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3761  188.9523  249.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6535  186.1029  243.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4370  189.3447  250.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
111.60304631,2.81173842,-179.43158887,216.29511528,188.24406869,244.84829304
1.08786060,-0.81560333,-1.99252217

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445553/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.97834

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-2.42166

>  <SCORE.INTRA.DIHEDRAL>
-4.59906

>  <SCORE.INTRA.DIHEDRAL.0>
5.06202

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.122131

>  <SCORE.INTRA.VDW.0>
-1.3426

>  <SCORE.INTRA.norm>
-0.110076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.226288

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000464

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  187.4643  216.9187  257.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3745  217.1470  258.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6066  215.9942  259.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4056  216.0516  260.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7004  217.2042  261.3452 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2361  217.3216  261.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6036  218.0687  260.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0054  219.5375  259.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3071  220.1495  258.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5341  218.2123  261.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7576  218.1445  261.7568 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9021  219.2407  262.5517 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5355  220.3234  263.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7494  221.1515  264.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3277  222.1975  264.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7012  222.4396  264.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4823  221.6452  263.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9009  220.6029  263.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4885  223.6890  265.5636 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.2873  223.1444  265.7617 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  184.9410  219.0962  262.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-179.63948621,58.76435413,75.48690634,-91.08716099,-59.24005536,179.84250683
-169.98353213,186.32824064,219.92881807,262.32535153,-1.72256674,-0.17728932
0.77365674

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445562/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.298

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-2.10196

>  <SCORE.INTRA.DIHEDRAL>
-0.683633

>  <SCORE.INTRA.DIHEDRAL.0>
2.9872

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.76015

>  <SCORE.INTRA.VDW.0>
-0.883873

>  <SCORE.INTRA.norm>
-0.105098

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.514902

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000427

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  197.6388  207.6298  252.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2726  207.8536  251.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2649  206.8600  251.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0292  207.0293  249.7271 P   0  0  1  0  0  0  0  0  0  0  0  0
  201.1022  205.9912  250.0691 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5083  206.0604  248.8032 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3348  206.9492  248.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1516  206.8599  249.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0125  207.5999  248.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0274  208.4460  247.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1928  208.5643  246.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3242  207.8197  247.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4001  207.9812  246.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1003  205.4676  247.6221 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7936  207.1986  248.1844 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1261  207.4299  246.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7344  204.8070  247.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6532  207.6390  248.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  1  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
179.25933312,170.14266898,85.09060374,-44.23600878,-106.01343126,65.26825578
-2.78616651,198.30886506,207.16959789,249.07758180,0.56215894,-0.29017938
1.56756350

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445563/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.85993

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-5.54007

>  <SCORE.INTRA.DIHEDRAL>
-7.0596

>  <SCORE.INTRA.DIHEDRAL.0>
11.312

>  <SCORE.INTRA.POLAR>
-0.150988

>  <SCORE.INTRA.POLAR.0>
-1.36138

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.49691

>  <SCORE.INTRA.VDW.0>
-0.572665

>  <SCORE.INTRA.norm>
-0.369338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.257329

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000794

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  219.2180  195.4168  247.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2285  196.3227  248.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3305  196.5915  249.3689 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1223  196.8764  247.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2226  197.6925  247.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1030  198.2987  247.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1671  199.1217  247.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1155  199.5740  249.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8840  199.2806  250.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0487  200.3893  249.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1428  199.6290  246.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0186  200.6827  250.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.5716  200.1971  247.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.75423431,179.84598776,0.14235029,179.95055712,-179.90293152,215.72053936
198.16534083,248.29252700,0.23914052,0.60589247,-1.85093570

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445564/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.66557

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-0.734425

>  <SCORE.INTRA.DIHEDRAL>
0.000394959

>  <SCORE.INTRA.DIHEDRAL.0>
0.000157772

>  <SCORE.INTRA.POLAR>
0.106273

>  <SCORE.INTRA.POLAR.0>
-0.448225

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09595

>  <SCORE.INTRA.VDW.0>
1.06688

>  <SCORE.INTRA.norm>
-0.0667659

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.69687

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005560

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  191.3951  216.5904  255.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1833  216.2568  256.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3544  215.4132  257.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1320  215.1148  258.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3250  214.2215  259.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1595  213.8116  260.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3792  212.8867  261.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2724  212.3640  263.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5471  211.3669  263.8699 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4055  209.9074  263.4982 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3931  210.3534  264.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9747  209.3285  262.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1388  209.7260  261.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8373  209.3637  259.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0770  209.9512  258.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8299  209.7494  257.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1150  210.4724  256.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1572  211.9881  256.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5656  212.5099  256.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2309  212.8179  255.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0431  212.4482  257.5551 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4248  212.7877  257.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9274  212.7483  259.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7268  211.3389  259.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1738  211.2097  261.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-178.23348164,-177.60290994,174.26292042,-178.38298143,173.90281916,-175.14091517
82.25402324,-75.19201425,169.61073888,-171.82758860,173.37238206,-174.15586864
66.33709917,61.28018620,85.91783834,173.73739177,178.50131612,59.46312630
-178.77863604,192.32923830,212.20051920,259.31647161,-0.54015873,1.56031702
1.04821828

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445565/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.2973

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.976

>  <SCORE.INTRA>
-11.1027

>  <SCORE.INTRA.DIHEDRAL>
-13.6569

>  <SCORE.INTRA.DIHEDRAL.0>
23.8853

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.27426

>  <SCORE.INTRA.VDW.0>
-2.04574

>  <SCORE.INTRA.norm>
-0.444108

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.531892

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.212968

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  195.5266  220.8187  253.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4065  220.6455  254.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6665  219.5705  255.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0383  218.6374  254.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2002  218.8120  252.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9270  219.9090  252.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6556  217.8758  251.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9712  216.7588  252.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8121  216.5704  253.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3243  217.5024  254.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0578  217.3421  256.0324 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4555  216.2478  256.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2651  215.1702  256.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0760  216.5246  257.8542 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4193  215.4407  258.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9799  215.7678  259.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8145  217.1267  260.1002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.1879  214.3167  260.7239 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.3991  216.1660  261.0243 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.3631  218.0607  256.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
-175.64065628,179.89339565,-179.55549649,60.23826531,192.48279265,217.06815828
256.91097506,-0.72693243,0.99157732,1.24935889

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445566/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.37792

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-7.02208

>  <SCORE.INTRA.DIHEDRAL>
-15.9273

>  <SCORE.INTRA.DIHEDRAL.0>
16.0413

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.94156

>  <SCORE.INTRA.VDW.0>
-0.349871

>  <SCORE.INTRA.norm>
-0.369583

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.125154

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  220.7745  191.0422  249.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8509  189.8548  249.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6026  188.5500  249.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6691  187.7768  248.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2512  188.3262  250.8567 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3762  190.9887  248.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2933  191.1564  247.0420 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0354  190.1922  246.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6283  188.9796  246.1382 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0516  190.3077  245.3276 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.7512  187.4892  250.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.4255  188.3378  246.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.6216  189.0246  245.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1112  189.5528  244.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.0080  191.2107  244.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <CHROM.1>
66.74211437,65.71436791,-99.36101818,-179.09403019,-116.45764576,72.05375827
167.53917857,220.46859097,189.66097422,248.11234651,-0.32677876,-1.33597690
0.02836855

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445567/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.18137

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-6.21863

>  <SCORE.INTRA.DIHEDRAL>
-1.89508

>  <SCORE.INTRA.DIHEDRAL.0>
4.6275

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.87109

>  <SCORE.INTRA.VDW.0>
0.420787

>  <SCORE.INTRA.norm>
-0.621863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.518137

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014569

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  207.9382  193.1325  242.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9846  192.6608  241.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4064  191.5276  240.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5558  193.8199  240.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2445  194.8486  241.2695 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8367  196.1516  241.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5949  196.8262  242.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6109  195.9107  242.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7130  196.0051  243.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5415  194.8944  243.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2852  193.6922  243.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2005  193.5679  242.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3765  194.6880  242.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3721  198.2638  242.6910 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.5677  199.1139  242.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5298  199.4325  243.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4460  198.9906  244.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2158  198.5864  244.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1867  198.3040  244.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8500  198.0253  244.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8708  197.9037  244.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7082  198.0217  246.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9993  197.5744  246.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1749  198.4470  246.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8505  197.7632  248.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2594  196.0758  246.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6611  200.1742  242.9341 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6324  199.5688  240.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7051  199.9488  239.8416 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5057  201.1426  242.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.3160  199.6869  242.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14  7  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  3  0  0  0  0
M  END
>  <CHROM.1>
61.41824693,-118.16395294,-115.06269369,64.00188275,210.73832571,196.67458275
243.34413709,1.93958361,-0.98762331,-2.24831036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445568/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.20727

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-2.19273

>  <SCORE.INTRA.DIHEDRAL>
-2.04974

>  <SCORE.INTRA.DIHEDRAL.0>
5.02495

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.16786

>  <SCORE.INTRA.VDW.0>
-3.00869

>  <SCORE.INTRA.norm>
-0.0756113

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.248527

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000471

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  192.3311  218.9976  252.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4704  218.3161  253.7893 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8345  217.1005  254.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8840  216.5340  255.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0675  215.2779  255.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2095  214.5118  255.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2058  215.1036  254.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0156  216.3917  254.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3431  213.0713  255.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3614  212.3459  255.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6030  212.6059  256.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6585  213.5872  256.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8225  213.1517  255.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8903  213.2442  254.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6528  212.3417  256.4979 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3511  210.9821  256.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1759  210.4309  256.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7832  211.1529  256.9166 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9835  211.0320  258.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1610  211.9831  259.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0467  212.4224  259.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8017  211.8526  259.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6754  210.7400  258.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7862  210.2885  258.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7036  212.4220  260.2263 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.2715  209.0494  257.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3989  208.2874  256.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4281  208.8515  256.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4168  210.2176  255.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5245  206.6263  257.2382 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.0009  214.8918  256.4954 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2516  214.6657  257.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5740  212.5675  257.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 29  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  1  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-178.62910301,-119.64956889,40.19453371,-50.35888689,193.39302284,212.54885566
256.59075883,-2.17441264,-0.54114097,2.53734091

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445569/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.78559

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-1.61441

>  <SCORE.INTRA.DIHEDRAL>
-4.6913

>  <SCORE.INTRA.DIHEDRAL.0>
14.9836

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.731241

>  <SCORE.INTRA.VDW.0>
-2.20096

>  <SCORE.INTRA.norm>
-0.0504502

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.2433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  212.5353  188.5997  244.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3903  187.8258  244.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4250  187.5473  246.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3390  186.8046  246.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4070  186.4770  247.9295 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2665  186.4633  245.9809 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2381  186.4572  244.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4690  185.7089  244.0253 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2472  187.3667  243.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0605  187.7253  242.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9278  187.3763  241.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5972  187.6700  242.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2779  188.3708  243.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9577  188.6139  243.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9186  188.1587  242.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2010  187.4820  241.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5269  187.2395  241.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7935  186.5663  240.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1023  186.2932  239.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3279  185.6154  238.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6208  185.3223  238.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7079  185.7018  238.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4979  186.3749  240.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1954  186.6915  240.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5978  187.9752  246.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5705  188.3302  247.6587 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5976  185.8465  246.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 24  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  3  0  0  0  0
M  END
>  <CHROM.1>
54.64988751,209.22211851,187.09183566,243.10836075,-1.06053319,0.10557219
-1.77687427

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445570/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.75406

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.246154

>  <SCORE.INTRA>
-1.64594

>  <SCORE.INTRA.DIHEDRAL>
-3.92255

>  <SCORE.INTRA.DIHEDRAL.0>
12.7659

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.315339

>  <SCORE.INTRA.VDW.0>
-1.81285

>  <SCORE.INTRA.norm>
-0.0633053

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.182849

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018496

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  194.6603  196.5092  247.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6756  197.2644  248.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5345  196.6321  249.9920 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2960  196.0317  250.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7926  195.4335  251.1449 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5498  194.8051  251.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0357  194.4028  249.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7808  193.8047  249.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0268  193.6287  250.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5376  193.9877  252.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8061  194.5604  252.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4198  193.0238  250.7091 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.8079  194.8028  248.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7196  194.2050  247.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5367  196.1248  248.7670 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5368  197.1373  248.6877 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6133  196.5327  250.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5168  195.8129  252.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5892  195.6987  252.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7999  196.3110  252.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9311  197.0302  251.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8536  197.1400  250.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8953  196.9430  249.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 23  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-173.82014346,-171.84774980,193.59912965,195.34458242,250.34585529,0.02795270
-0.38172325,-1.25001635

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445572/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.35148

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-1.04852

>  <SCORE.INTRA.DIHEDRAL>
-2.20679

>  <SCORE.INTRA.DIHEDRAL.0>
2.40603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0548766

>  <SCORE.INTRA.VDW.0>
0.175477

>  <SCORE.INTRA.norm>
-0.0476598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.243249

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000989

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  186.2989  196.7090  244.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4286  196.7850  245.5404 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3066  196.1805  246.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0334  196.5806  247.6193 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9752  197.4491  247.5095 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.6001  197.5847  246.2454 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6689  195.2090  245.9655 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.6621  195.1748  247.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9064  196.5352  248.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4450  196.9201  249.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5765  198.2484  249.6807 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2234  199.3075  248.7260 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2800  200.1887  249.4396 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.7177  198.8644  250.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7071  198.4916  250.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6906  201.2131  250.3385 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4613  201.7996  251.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6204  201.4500  251.5359 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7368  202.8951  252.1334 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2819  203.0217  253.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4879  202.6166  254.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9690  202.7125  255.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2458  203.2126  256.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0411  203.6300  255.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5583  203.5477  253.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8830  204.1721  251.5067 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1327  204.3159  250.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4325  203.4640  249.8653 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6277  199.0036  246.9760 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.6431  197.5388  247.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6028  196.0261  250.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1994  196.5997  251.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4848  194.8101  250.0009 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.7864  201.6136  250.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 30  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  6  0  0  0
 13 14  1  0  0  0  0
 13 16  1  1  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 19 17  1  6  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  CHG  1  33  -1
M  END
>  <CHROM.1>
162.83141390,-49.69835584,116.02462517,-175.78284584,161.05912390,151.54836074
-110.36449377,73.64497715,-3.80657213,189.26791806,199.26902581,249.67508881
2.22520200,1.11684716,-2.95975115

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445573/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.54423

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-5.85577

>  <SCORE.INTRA.DIHEDRAL>
-3.67304

>  <SCORE.INTRA.DIHEDRAL.0>
8.1327

>  <SCORE.INTRA.POLAR>
-0.491408

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.34846

>  <SCORE.INTRA.VDW.0>
-2.22455

>  <SCORE.INTRA.norm>
-0.177448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.258916

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000884

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  196.8679  225.9064  247.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5143  225.2002  247.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4873  224.0683  246.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6290  224.1657  245.5854 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2619  222.6672  247.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1168  222.4401  248.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2500  221.7573  246.3683 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9747  225.0490  248.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2710  223.8400  247.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1441  222.6783  247.9169 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7042  224.1740  246.3291 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1061  220.8602  246.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9029  223.4112  245.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-70.86046148,66.86367409,-62.04834316,-0.45450320,179.79652405,-118.72254159
179.97992352,196.57981448,223.75562100,247.28574489,0.64488315,-0.08048046
0.11392036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445574/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.76599

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-3.63401

>  <SCORE.INTRA.DIHEDRAL>
-0.439803

>  <SCORE.INTRA.DIHEDRAL.0>
3.53606

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.41411

>  <SCORE.INTRA.VDW.0>
2.11227

>  <SCORE.INTRA.norm>
-0.330365

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.61509

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041319

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  212.9334  199.1322  252.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0484  198.9251  251.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2222  199.6031  251.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6699  198.4158  251.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2639  198.6958  253.0251 Br  0  0  0  0  0  0  0  0  0  0  0  0
  215.9111  199.4541  250.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
179.97963294,179.92376030,-179.71552522,211.66886546,198.84464395,252.42681940
-0.22549041,0.30038285,1.03085328

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445575/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.13349

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-0.26651

>  <SCORE.INTRA.DIHEDRAL>
-0.00373092

>  <SCORE.INTRA.DIHEDRAL.0>
0.00415383

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.264644

>  <SCORE.INTRA.VDW.0>
-0.0613043

>  <SCORE.INTRA.norm>
-0.0533019

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.4267

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  205.1230  193.3071  243.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7322  194.0032  242.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0254  195.3127  241.9799 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6770  194.9150  241.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5736  195.1827  242.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4573  196.6911  242.5476 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.7224  197.4027  243.0029 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.9311  196.4652  243.1143 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.1296  197.4232  242.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9140  196.7562  241.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8181  196.0680  240.9652 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.8734  195.6959  239.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7788  195.3769  239.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0412  197.1189  240.2418 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0467  196.9341  238.8372 Si  0  0  0  0  0  0  0  0  0  0  0  0
  204.6900  197.9480  237.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7531  195.1812  237.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2248  197.3043  239.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5943  198.3033  244.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3473  199.1994  244.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2466  198.6713  243.2955 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.2422  197.1348  243.3509 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0562  196.4538  242.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7316  197.0333  243.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7192  198.4226  243.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5323  198.7452  243.9562 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3341  200.0829  244.2369 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0146  200.1113  245.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8988  199.3560  243.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 22  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  1  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 14  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-70.67961245,-145.88046757,-85.23190041,-118.08621304,-116.87159354,202.88992197
197.00937675,241.97349704,-0.41760430,-0.45337224,1.66661747

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445576/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35282

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-3.04718

>  <SCORE.INTRA.DIHEDRAL>
-1.17989

>  <SCORE.INTRA.DIHEDRAL.0>
4.58526

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.45723

>  <SCORE.INTRA.VDW.0>
0.276668

>  <SCORE.INTRA.norm>
-0.105075

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.253546

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002759

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  191.6342  220.5968  258.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9811  220.4704  258.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1137  220.5991  259.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1847  220.2111  257.7653 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.7917  221.5278  257.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9200  222.3981  258.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1308  222.2562  259.4104 P   0  0  0  0  0  0  0  0  0  0  0  0
  196.9109  223.5000  259.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5202  221.6842  260.7685 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0738  221.0829  258.8913 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1469  219.4634  258.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8334  221.0242  260.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5647  220.2513  258.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7154  218.6206  258.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
88.41936611,46.99326513,61.47797004,79.95490484,127.18044809,38.44703544
-58.50306086,194.94960889,221.34837530,258.93614616,2.60266169,-0.18739933
-2.33007825

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445577/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.113599

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-9.5136

>  <SCORE.INTRA.DIHEDRAL>
-4.05117

>  <SCORE.INTRA.DIHEDRAL.0>
10.849

>  <SCORE.INTRA.POLAR>
-1.99866

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.692572

>  <SCORE.INTRA.VDW.0>
-0.619549

>  <SCORE.INTRA.norm>
-0.864873

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
-0.0103272

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037228

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  196.0530  196.4484  242.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5166  197.8330  242.6593 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.3117  198.5264  243.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1683  198.7587  242.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6202  199.4619  241.0671 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.9679  198.9043  240.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1777  198.8482  241.5417 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8017  198.6321  240.8652 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.7179  198.5672  241.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4635  197.0395  241.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9196  195.6350  241.2465 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8918  196.4409  240.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1303  196.5790  239.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2447  196.0375  238.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1796  195.2385  239.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0275  194.9086  240.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7469  193.8835  240.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7153  193.1431  240.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2599  192.1060  240.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0357  193.7120  238.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2858  194.7230  238.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0493  193.1481  237.9773 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0945  197.5135  241.7864 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.6154  196.8109  243.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4501  197.4685  243.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5845  198.9123  242.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0315  194.4331  241.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6552  199.1022  239.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4625  199.2811  240.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7894  200.9676  241.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6214  201.5018  242.4259 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1704  201.6944  240.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4156  192.4405  238.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2883  202.6478  240.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 25  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  6  0  0  0
  5 30  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  1  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  1  0  0  0
 24 25  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
1.70309172,-2.50036828,-179.55001391,199.06721502,197.11210569,240.92414365
3.00670798,0.63467529,-0.99749517

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445586/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.85498

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2

>  <SCORE.INTRA>
-0.545016

>  <SCORE.INTRA.DIHEDRAL>
-0.0398004

>  <SCORE.INTRA.DIHEDRAL.0>
0.0726098

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.525116

>  <SCORE.INTRA.VDW.0>
0.807127

>  <SCORE.INTRA.norm>
-0.0170317

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.182968

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008727

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  198.9046  201.2530  242.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5792  201.9857  244.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8076  202.0877  244.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4833  202.8215  246.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7170  202.9233  247.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3945  203.6693  248.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1258  203.8025  249.6689 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-179.88502675,-179.88965656,179.40727924,179.95095172,201.12705653,203.25630290
248.01287089,-2.05794412,-0.24447391,1.10909279

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445587/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.40077

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.34286

>  <SCORE.INTRA>
0.00077443

>  <SCORE.INTRA.DIHEDRAL>
0.00155487

>  <SCORE.INTRA.DIHEDRAL.0>
3.42658e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.00418e-06

>  <SCORE.INTRA.VDW.0>
-0.629003

>  <SCORE.INTRA.norm>
0.000110633

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.34297

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010437

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  203.0535  204.8828  248.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4651  205.9048  247.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8888  205.5889  246.2284 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2994  206.6490  244.9948 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.3769  206.1506  244.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9819  205.6523  244.8166 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7773  205.8293  245.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7845  204.7561  245.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7100  207.7091  243.7612 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7078  208.6681  244.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3622  209.4705  242.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.51617639,162.55961292,90.62002272,57.36469121,179.98621675,179.93632816
201.58653670,206.48358623,245.18757273,-1.20410357,-0.24062428,-0.79390316

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445588/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.77289

>  <SCORE.INTRA.VDW.0>
3.9849

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009269

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  212.0554  193.9843  252.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5780  194.2350  250.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4831  195.7371  250.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4501  193.5103  249.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8112  193.8137  249.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6078  193.0906  248.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0519  192.0551  247.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6940  191.7591  247.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9005  192.4851  248.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8935  191.2706  246.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1540  191.5313  246.7505 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8436  190.7996  245.8293 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7836  191.1056  244.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6255  191.8003  243.7970 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2406  191.9737  242.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8889  192.5533  241.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8960  191.3828  242.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2501  191.5803  241.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9082  191.0737  240.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8260  191.0765  241.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6255  190.4478  241.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4733  189.8544  240.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5400  189.8842  239.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7551  190.4867  239.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4014  189.2598  237.8254 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.3217  188.7179  237.5575 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3735  189.3159  237.0575 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.8069  191.5696  242.9468 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9695  192.9738  243.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3711  190.5235  243.6260 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.0173  189.8175  246.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 30  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
-63.07328948,-0.06466492,79.80302475,97.34912588,41.51829182,65.49730215
213.97165466,191.60671284,244.09018971,1.60414310,-0.00911493,1.25033404

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445589/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.28286

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-4.11714

>  <SCORE.INTRA.DIHEDRAL>
-4.7389

>  <SCORE.INTRA.DIHEDRAL.0>
15.9439

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.74769

>  <SCORE.INTRA.VDW.0>
-0.0207172

>  <SCORE.INTRA.norm>
-0.137238

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.242762

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  191.8766  218.6567  258.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9563  218.6831  256.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2299  217.5119  256.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4690  216.3109  256.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3844  216.2864  258.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0755  217.4508  258.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9300  217.3335  260.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1452  216.2447  261.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5819  218.4617  261.1635 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4559  218.4252  262.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7608  218.8039  263.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8029  218.2598  264.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2853  216.8071  264.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4023  215.9664  263.9598 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6999  214.5586  264.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7362  213.5646  263.0135 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.1267  217.5457  254.4103 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.8631  216.9863  254.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5805  218.8518  253.9617 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3096  216.4573  254.0083 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4763  219.3546  260.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.5376  216.1721  262.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0081  214.3146  261.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0592  215.4736  253.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2636  216.7880  253.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <CHROM.1>
-99.77548745,-178.64063648,92.14067191,-158.01325413,84.05013995,-58.77226909
-169.57713561,-173.13615428,46.29265047,87.01898415,192.20298973,216.95891466
259.42745790,-2.05788818,1.53151752,2.20914735

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445590/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.25738

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.77

>  <SCORE.INTRA>
-6.14262

>  <SCORE.INTRA.DIHEDRAL>
1.15264

>  <SCORE.INTRA.DIHEDRAL.0>
6.29075

>  <SCORE.INTRA.POLAR>
-1.99869

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0766136

>  <SCORE.INTRA.VDW.0>
-2.05395

>  <SCORE.INTRA.norm>
-0.307131

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.462869

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  201.1406  202.2851  253.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0821  201.6616  251.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1131  202.3598  250.9311 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2866  203.8199  250.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3737  204.4481  252.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3881  203.7331  253.0925 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3023  204.3755  253.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4437  205.7726  253.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4070  206.4115  254.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2512  205.6516  255.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1451  204.2719  255.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1814  203.6468  254.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2039  206.2236  256.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1182  201.7858  250.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3055  202.4400  249.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0456  200.2999  250.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0895  199.6966  249.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9595  198.2367  249.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8542  197.4734  250.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7587  196.0791  250.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7713  195.4342  249.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8762  196.1817  248.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9679  197.5775  248.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8246  198.4457  247.6921 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.1590  207.1867  256.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-172.46646711,0.01527269,179.51272218,0.65387247,200.04514602,201.48069343
251.46159527,-0.69477647,0.78566110,3.10696698

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445591/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.26855

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-7.13145

>  <SCORE.INTRA.DIHEDRAL>
-18.3799

>  <SCORE.INTRA.DIHEDRAL.0>
18.6098

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.05849

>  <SCORE.INTRA.VDW.0>
0.177303

>  <SCORE.INTRA.norm>
-0.297144

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0528564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010202

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  212.9730  187.2709  246.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9868  186.3249  247.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9461  187.0297  248.0682 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2561  188.0796  247.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2214  189.0543  246.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2696  188.3397  245.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7298  187.8232  244.5305 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3309  186.9828  243.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3546  186.8334  242.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5984  186.0248  241.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8318  185.4000  241.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8096  185.5543  242.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5780  186.3552  243.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1029  184.6256  240.3861 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.2499  187.5597  242.9737 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4903  188.1625  244.1248 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9343  186.0285  248.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5039  185.1242  249.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5985  185.5015  250.7652 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9725  183.9133  249.1014 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0888  182.8271  249.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7878  182.1348  250.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8548  181.1079  250.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2602  180.7599  248.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5589  181.4680  247.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4593  182.5415  247.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7048  183.3296  246.6568 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6301  182.8242  245.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2174  184.0511  244.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1786  184.8502  244.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2238  185.2775  245.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6007  184.0849  246.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8988  183.6780  249.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
71.66668747,-44.63497772,77.94609446,-89.36886795,-77.45011194,101.92669803
210.87059169,185.24599548,246.01277164,-0.34714785,1.20123523,0.88039472

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445592/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74119

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-4.65881

>  <SCORE.INTRA.DIHEDRAL>
0.345555

>  <SCORE.INTRA.DIHEDRAL.0>
5.01025

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.83159

>  <SCORE.INTRA.VDW.0>
-2.15412

>  <SCORE.INTRA.norm>
-0.145588

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.210662

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000159

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  215.1892  197.8116  242.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8818  197.1069  242.3312 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6625  197.1141  240.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7411  196.3329  240.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0777  195.0421  240.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6857  194.7508  242.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8396  195.6577  242.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2629  193.2456  242.5600 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.0849  192.9639  241.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8843  193.9929  240.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5177  193.9013  238.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4396  194.7454  238.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2632  192.7612  238.7353 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4256  191.8047  239.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8495  191.8602  240.8848 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3769  190.6817  239.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0318  189.8745  238.0968 N   0  3  1  0  0  0  0  0  0  0  0  0
  218.0247  190.5648  237.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1813  188.9316  237.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9007  187.9798  236.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5652  187.2857  236.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4692  188.3380  236.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6098  189.2973  238.0509 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.1547  188.6473  239.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7119  192.7137  237.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 23  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
-58.02563828,59.68359171,216.23538326,192.61451739,239.87480838,-2.61435168
-1.14942643,2.65128486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445593/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.89297

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-0.507033

>  <SCORE.INTRA.DIHEDRAL>
-0.367356

>  <SCORE.INTRA.DIHEDRAL.0>
1.17599

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.323355

>  <SCORE.INTRA.VDW.0>
-1.05772

>  <SCORE.INTRA.norm>
-0.0220449

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.299694

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 28  0  0  0  0  0  0  0  0999 V2000
  215.1890  192.9271  257.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1617  191.6338  258.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3974  191.8786  260.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3778  190.5953  260.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0298  189.8301  261.0168 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.2426  188.4392  261.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0729  187.4700  261.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9333  190.6088  261.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5619  191.8635  261.2461 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9818  192.0612  259.6284 P   0  0  0  0  0  0  0  0  0  0  0  0
  210.6599  191.3855  260.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8188  193.7147  259.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8955  194.6184  259.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5994  196.1090  259.9711 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2752  196.4385  261.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9896  195.8407  261.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8350  196.9813  259.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2483  197.0144  258.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4800  197.8816  257.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8649  197.8769  256.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4017  192.2590  258.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6681  191.2004  257.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0419  189.8432  257.4615 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6123  189.6932  256.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5713  190.6225  257.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9730  188.6788  257.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2904  188.6017  257.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1816  187.4328  257.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4861  187.3797  258.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
179.99786589,-64.36124047,169.01830616,-168.95343990,61.44608153,56.93305340
71.84270419,87.78776224,100.00303010,-179.79035345,63.81787639,-66.31734830
64.04399220,-179.29044222,179.45228792,61.73236592,88.50609167,-67.35921778
68.41642305,178.85096319,179.69544897,212.96801885,192.10165502,259.22225439
-1.45359733,0.09689616,-3.13143485

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445602/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.910345

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.3481

>  <SCORE.INTRA.VDW.0>
4.35967

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004734

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 43  0  0  0  0  0  0  0  0999 V2000
  222.2986  177.2471  250.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2478  176.1373  251.6501 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.8775  175.4868  251.9747 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.7074  175.7099  250.9709 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.9656  176.6844  249.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0889  177.4049  249.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1543  178.5042  248.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1971  178.8603  248.1929 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9520  179.0727  248.5481 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4913  180.1759  247.6951 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.4682  179.8991  246.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8964  178.8387  245.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2620  179.2257  244.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7053  178.2896  243.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7747  176.9433  243.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4023  176.5360  245.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9696  177.4847  245.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8840  181.1565  248.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3303  182.2675  248.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7831  180.6233  249.3141 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4182  176.0415  251.6187 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8893  177.3161  251.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3792  178.2939  251.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7454  177.4929  252.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9556  176.7439  254.2476 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.6684  176.8111  254.9191 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5864  175.4551  254.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1180  177.6687  255.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0183  179.0710  255.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9191  179.8125  256.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9088  179.1552  256.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0244  177.7595  256.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1180  177.0090  255.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4774  175.8380  253.3203 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1929  175.1126  251.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2897  178.9041  249.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.0709  181.3192  249.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.0217  180.1284  250.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.0714  175.3359  252.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6367  175.3812  253.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.9390  174.7268  250.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  6  0  0  0
  3  4  1  0  0  0  0
  3 34  1  1  0  0  0
  4  5  1  0  0  0  0
  4 21  1  1  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  6  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 40  1  0  0  0  0
 35 41  1  0  0  0  0
M  END
>  <CHROM.1>
-62.07183853,-177.77542117,100.13517152,31.49826052,116.45670113,-56.64114417
112.73748980,-107.73935163,-146.40202876,46.58298829,-169.92555541,44.89559378
219.30267943,177.82632895,250.77014999,-1.37894452,-0.79351813,1.85778725

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445603/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.67459

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.44

>  <SCORE.INTRA>
-13.7254

>  <SCORE.INTRA.DIHEDRAL>
-2.49606

>  <SCORE.INTRA.DIHEDRAL.0>
14.1258

>  <SCORE.INTRA.POLAR>
-3.21113

>  <SCORE.INTRA.POLAR.0>
-0.233445

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.55952

>  <SCORE.INTRA.VDW.0>
-2.17187

>  <SCORE.INTRA.norm>
-0.392154

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0478455

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  192.9701  219.0710  246.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7669  217.6107  245.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7435  216.9586  246.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4648  215.6038  246.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2168  214.9050  245.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2550  215.5061  244.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5188  216.8808  244.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6006  217.4808  244.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6637  213.6437  245.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6438  213.6383  246.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5085  214.8012  246.9177 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0085  212.5620  244.5079 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.5360  212.6921  243.0556 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5224  211.7688  242.3382 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8204  211.9485  243.1480 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4431  212.3956  244.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7289  210.7239  243.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0176  209.6049  243.7840 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6361  209.6057  245.3389 P   0  0  0  0  0  0  0  0  0  0  0  0
  194.4522  210.4657  246.2365 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0655  209.8712  245.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6714  208.0724  245.7857 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0205  210.4364  242.3194 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6164  214.0189  242.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6978  209.7997  246.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3424  207.9887  246.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9955  210.0473  243.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2755  214.0433  241.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12  9  1  1  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  6  0  0  0
 14 15  1  0  0  0  0
 14 23  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <CHROM.1>
-72.44341236,-178.02516783,-67.60555113,-53.06193093,-74.48902297,-22.40132536
173.94254094,-173.28589913,192.77444737,212.99068603,244.77888692,1.98958684
1.28187890,-0.26056853

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445604/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.57192

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-6.82808

>  <SCORE.INTRA.DIHEDRAL>
-3.21622

>  <SCORE.INTRA.DIHEDRAL.0>
9.38816

>  <SCORE.INTRA.POLAR>
-1.08919

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.51671

>  <SCORE.INTRA.VDW.0>
-2.31453

>  <SCORE.INTRA.norm>
-0.284503

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.107164

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000718

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  214.0854  177.5478  238.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2478  176.8068  239.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4976  177.2672  240.8367 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3682  176.8201  241.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8439  176.7268  241.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0467  177.3066  240.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4184  178.6305  240.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4920  179.1859  240.2431 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2057  178.3744  239.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8346  177.0382  239.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7504  176.4956  239.8497 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5396  176.0993  238.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5460  179.1695  238.5545 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.7349  179.7748  237.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1279  181.0333  237.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4159  181.4514  235.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3037  180.6124  234.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9091  179.3576  234.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6199  178.9383  235.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
162.82899328,66.79997369,70.21946356,-88.04778565,88.37215850,216.81475082
178.36067213,238.68614174,2.27407701,0.06189628,2.11920393

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445605/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.40877

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-0.99123

>  <SCORE.INTRA.DIHEDRAL>
0.61768

>  <SCORE.INTRA.DIHEDRAL.0>
5.06117

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.30007

>  <SCORE.INTRA.VDW.0>
-0.385405

>  <SCORE.INTRA.norm>
-0.05217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.495198

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000186

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  203.1821  207.0353  251.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4715  208.3833  251.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0707  208.7468  249.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4111  209.9318  249.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2177  210.8879  250.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6686  212.1393  250.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3230  212.4592  248.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4315  211.4921  247.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9191  210.2023  248.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7608  209.2038  247.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4518  207.8924  247.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0040  207.4576  248.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6325  207.0970  249.7696 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6011  206.9921  246.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9430  207.4902  244.9858 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3303  205.6550  246.2649 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5628  204.6231  245.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1633  203.3300  245.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3241  202.2642  244.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9223  202.4753  243.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3792  203.7490  243.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1823  204.8172  244.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0777  203.9613  241.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2161  202.9522  241.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4632  205.1457  241.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8810  205.3706  247.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.29109036,6.67862664,32.66192603,-3.17902266,-176.75231243,0.70455515
201.10917661,207.02053307,246.70088340,-2.25499867,1.52701009,-1.65951408

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445606/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19489

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.20511

>  <SCORE.INTRA.DIHEDRAL>
-10.0727

>  <SCORE.INTRA.DIHEDRAL.0>
14.4514

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.168754

>  <SCORE.INTRA.VDW.0>
0.291652

>  <SCORE.INTRA.norm>
-0.208204

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.247796

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000296

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  212.9065  186.7811  240.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3281  186.9609  239.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9328  188.2190  239.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2490  188.3989  239.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0020  187.3282  238.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3902  186.0729  238.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0710  185.8910  239.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6518  187.6947  238.1961 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.3468  186.0643  237.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8939  185.2826  238.9344 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.9293  186.0381  239.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7051  185.4975  241.1421 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.1036  184.5487  241.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.0817  186.0649  241.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.2425  185.3584  241.1822 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.8306  184.9490  239.8629 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4440  186.5967  241.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8821  187.9380  241.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0684  188.9863  242.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8103  188.7460  242.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3754  187.4212  242.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1661  186.3795  242.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0412  189.7003  243.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7395  189.4651  243.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5213  191.0812  243.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
176.86821947,-80.18598273,-54.99342557,19.69980233,-179.82735635,217.38496586
187.27392083,240.56890580,2.36423260,-0.22047936,1.00829755

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445607/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.55346

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-5.84654

>  <SCORE.INTRA.DIHEDRAL>
-2.7442

>  <SCORE.INTRA.DIHEDRAL.0>
6.0552

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.47444

>  <SCORE.INTRA.VDW.0>
0.850907

>  <SCORE.INTRA.norm>
-0.254197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.197977

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000613

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  195.0518  219.9151  256.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4698  220.0488  256.2870 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0799  219.3302  257.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1854  218.5778  256.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8742  217.7906  257.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4947  217.7894  259.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4157  218.5658  259.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6951  219.3261  258.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3243  217.0420  260.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3484  216.3065  259.7936 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8421  215.7038  260.9958 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0593  216.0393  262.1787 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.9783  216.9868  261.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7645  216.6886  263.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7253  217.6619  263.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5154  218.2074  264.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6878  218.7382  263.7231 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4716  219.1454  264.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8714  219.6393  265.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7915  218.9742  266.3270 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1653  218.1080  265.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2575  217.0619  265.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6126  216.3205  264.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2862  214.8580  261.0758 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.5165  214.4724  262.4537 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3008  213.8642  260.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5121  216.0763  260.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 14 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
131.88763555,-4.83742250,175.98914036,40.43877454,200.55112672,217.35898158
261.32159560,2.71760264,0.80764163,-2.37540536

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445608/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.82503

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-0.574967

>  <SCORE.INTRA.DIHEDRAL>
1.44079

>  <SCORE.INTRA.DIHEDRAL.0>
3.0942

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.29536

>  <SCORE.INTRA.VDW.0>
0.0853909

>  <SCORE.INTRA.norm>
-0.0212951

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.326853

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000494

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  203.5593  208.9994  253.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8258  209.6250  252.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7368  209.7424  251.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9868  210.3635  250.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2265  209.5239  250.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1033  209.8267  251.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3139  208.4214  249.9853 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7196  210.5890  249.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8444  211.6924  248.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3706  209.4917  248.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5884  208.3079  249.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.2083  209.6245  247.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-179.81652776,63.95487213,-104.90850348,124.36520104,4.15289141,-179.08544881
205.87831980,209.80159054,250.57737333,2.00565626,-0.19569353,1.91244254

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445609/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.01576

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-3.38424

>  <SCORE.INTRA.DIHEDRAL>
-1.81325

>  <SCORE.INTRA.DIHEDRAL.0>
3.88496

>  <SCORE.INTRA.POLAR>
-0.706796

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.074504

>  <SCORE.INTRA.VDW.0>
-0.70922

>  <SCORE.INTRA.norm>
-0.338424

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.601576

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001872

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  215.7056  192.6984  248.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2958  191.3211  247.7892 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1226  190.9015  248.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6610  189.6199  247.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2149  189.7520  246.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8738  191.1256  246.4007 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.0704  191.1463  245.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4554  190.1032  246.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0301  190.4242  245.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4656  191.5106  243.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4539  192.3759  243.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5626  192.2957  244.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
46.17916832,215.71884798,191.10397201,246.08568652,2.28597416,-0.60043956
2.23957523

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445610/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39382

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.00617656

>  <SCORE.INTRA.DIHEDRAL>
-0.0014073

>  <SCORE.INTRA.DIHEDRAL.0>
0.713844

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00547291

>  <SCORE.INTRA.VDW.0>
-0.907163

>  <SCORE.INTRA.norm>
-0.000514714

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.532819

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001700

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  201.4844  211.3683  258.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6302  210.4654  259.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2895  209.2280  259.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4092  208.3676  260.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9047  208.7843  261.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2726  210.0215  261.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1296  210.8561  260.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0373  207.0102  260.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1441  206.3309  261.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4366  206.5350  259.1675 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7742  205.3468  258.6007 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1753  205.5398  258.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7714  207.0914  257.5641 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.3352  204.2458  257.5373 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.3628  205.7398  260.0803 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.4866  205.2346  257.3192 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8502  204.9995  257.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2521  203.6805  257.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5647  203.2144  257.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5434  204.0558  256.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2062  205.3663  256.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8834  205.8571  256.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7409  207.3113  256.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6621  208.0263  256.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4489  207.7130  256.5228 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2325  209.1102  256.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7005  207.2254  258.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1765  205.9882  256.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 27  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
177.67053658,-115.26175996,56.33718586,53.11668130,62.75868982,70.05982375
177.57701857,179.72628221,202.97057140,206.80318179,258.40940283,-2.48024356
-0.47613454,-2.91820652

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445611/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.17509

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-12.2249

>  <SCORE.INTRA.DIHEDRAL>
-10.013

>  <SCORE.INTRA.DIHEDRAL.0>
12.1204

>  <SCORE.INTRA.POLAR>
-1.35314

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.61772

>  <SCORE.INTRA.VDW.0>
-1.99242

>  <SCORE.INTRA.norm>
-0.470189

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0451958

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  186.1305  214.9534  269.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3746  214.2825  268.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3696  214.3305  267.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4286  213.7482  266.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3597  213.1938  267.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2847  213.8534  265.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1635  212.8966  264.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8877  213.0680  265.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2872  214.3255  265.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9572  214.3978  265.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9740  212.9480  263.4582 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.5279  211.6104  265.0713 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.0034  215.1332  264.8301 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.4442  213.5323  264.5662 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.32406844,0.31490730,-71.64184916,56.20060042,62.80157086,-178.88791524
187.26526361,213.70452888,265.90233721,1.84233833,-0.16029445,1.26783272

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445612/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.0186

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.814286

>  <SCORE.INTRA>
-2.3814

>  <SCORE.INTRA.DIHEDRAL>
-3.35988

>  <SCORE.INTRA.DIHEDRAL.0>
4.14807

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.701456

>  <SCORE.INTRA.VDW.0>
-0.549011

>  <SCORE.INTRA.norm>
-0.1701

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.644186

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035227

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  198.0476  193.6057  253.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5470  193.7424  253.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9553  195.0786  252.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2432  195.1260  251.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7068  196.2920  250.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9096  197.4257  251.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6181  197.3960  252.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0938  196.2483  253.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7946  196.2540  254.6931 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8391  197.3917  255.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6645  197.6402  256.6579 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0060  198.9270  257.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3653  196.5799  257.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-101.09123133,-174.33332996,199.87526942,196.28811644,253.90902601,1.43074298
-1.09760134,-2.10681414

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445613/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.02002

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.379976

>  <SCORE.INTRA.DIHEDRAL>
-2.29946

>  <SCORE.INTRA.DIHEDRAL.0>
3.10908

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.769754

>  <SCORE.INTRA.VDW.0>
0.000269908

>  <SCORE.INTRA.norm>
-0.0292289

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.540002

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018665

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  212.8790  192.5803  255.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6000  191.1601  255.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2118  190.7630  256.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0570  189.4790  257.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2894  188.5620  256.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6807  188.9319  255.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8103  190.2305  254.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9850  190.5664  253.4726 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.6151  191.1952  253.9212 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.4056  190.5095  253.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3618  191.1344  252.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4058  189.1319  253.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5422  188.6730  252.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7264  189.3528  252.6942 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3783  188.8759  251.5697 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6956  187.6622  251.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6210  187.4854  252.0685 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1408  186.6533  250.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2767  186.9107  249.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6468  186.0321  248.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8926  184.8833  248.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7942  184.5905  249.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4143  185.4743  250.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3036  183.8327  246.9860 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.6581  192.7039  253.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6172  193.5607  254.5484 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8274  192.9514  252.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9812  194.3210  251.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2722  194.9047  252.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5041  194.4747  251.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7029  194.9426  252.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6772  195.8419  253.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4582  196.2955  254.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2614  195.8348  253.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2413  189.5022  250.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  1  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  6  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-82.69296123,-114.88469151,-2.12534204,-175.84074469,67.09186599,68.91641983
211.19803276,190.05418621,252.43069851,1.31815754,1.55395339,0.79341453

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445614/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.15987

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-4.24013

>  <SCORE.INTRA.DIHEDRAL>
-6.41573

>  <SCORE.INTRA.DIHEDRAL.0>
9.10502

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.03227

>  <SCORE.INTRA.VDW.0>
-2.74882

>  <SCORE.INTRA.norm>
-0.12471

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.210584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002404

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  206.9937  194.0354  246.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1202  193.8764  245.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5956  193.9780  244.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9500  194.2537  244.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8194  194.4004  245.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3423  194.2935  246.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4815  194.3344  242.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4356  195.7267  242.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5754  196.0275  241.5164 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3662  196.6132  242.8416 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3934  197.8288  242.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6743  198.3724  241.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5089  199.6861  241.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0788  200.6642  241.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7573  201.8490  241.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0809  200.1253  242.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2423  198.8056  243.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0686  201.3478  243.9769 Br  0  0  0  0  0  0  0  0  0  0  0  0
  207.5552  200.3442  239.5647 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
90.81438909,-103.74018307,-179.59305830,208.79243502,198.46986105,242.72561368
-1.90794498,-0.90340618,-0.74487610

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445615/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.7494

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-6.6506

>  <SCORE.INTRA.DIHEDRAL>
-14.9737

>  <SCORE.INTRA.DIHEDRAL.0>
16.993

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.836246

>  <SCORE.INTRA.VDW.0>
-0.808045

>  <SCORE.INTRA.norm>
-0.350031

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.0920739

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.071550

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  188.2880  220.3236  262.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5825  221.0288  264.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6102  222.0951  264.5892 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1944  221.6874  264.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8636  221.0275  263.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8240  219.8842  262.8846 N   0  3  0  0  0  0  0  0  0  0  0  0
  186.7065  219.1534  263.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.5090  219.1846  261.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1263  218.5316  261.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2205  219.0754  260.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0147  217.4395  262.4540 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.8332  216.6895  262.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8748  215.6577  263.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7219  214.9170  263.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5300  215.1754  263.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4912  216.1789  262.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6367  216.9303  261.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7727  213.6841  265.1011 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.9134  223.4330  264.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2047  224.2630  265.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5379  225.6138  265.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5783  226.1646  264.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2977  225.3676  262.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9803  224.0123  263.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9194  227.5807  263.8570 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.1769  228.2438  264.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9130  228.0295  262.7029 O   0  5  0  0  0  0  0  0  0  0  0  0
  185.8044  217.1764  263.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  3   6   1  25   1  27  -1
M  END
>  <CHROM.1>
-104.00900380,169.25495931,106.54509314,-176.25408336,185.99911591,220.53238152
263.49369375,-0.47115293,1.01750904,2.16424152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445616/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.73717

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-1.66283

>  <SCORE.INTRA.DIHEDRAL>
-0.73413

>  <SCORE.INTRA.DIHEDRAL.0>
2.65228

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.29577

>  <SCORE.INTRA.VDW.0>
-0.282949

>  <SCORE.INTRA.norm>
-0.0639551

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.297583

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000364

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  212.7617  179.9088  248.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1050  179.9821  247.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8391  181.0881  248.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1572  182.1938  248.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8032  182.1735  248.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1218  180.9847  248.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4905  180.7832  249.2130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.0737  183.6345  249.4267 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.5610  181.0678  247.9139 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.7918  179.0725  246.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0858  178.1301  246.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0972  178.5082  245.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3369  177.7669  244.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1850  179.8274  244.7326 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5854  180.1410  244.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
17.49119430,60.04843044,-169.06165393,179.97879115,213.29689648,180.68617145
247.70385219,1.19771773,-0.09070511,-2.39288719

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445617/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74178

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.65822

>  <SCORE.INTRA.DIHEDRAL>
-1.70516

>  <SCORE.INTRA.DIHEDRAL.0>
3.49381

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.805644

>  <SCORE.INTRA.VDW.0>
0.328717

>  <SCORE.INTRA.norm>
-0.118444

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.481556

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001127

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  199.6655  200.6432  238.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6273  201.8288  239.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4261  201.8098  240.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3469  200.6561  240.9806 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3196  200.7485  242.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2431  199.5226  242.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8482  199.3568  243.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8118  199.3565  242.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9786  200.5483  241.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5588  200.4282  244.5128 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3060  200.4431  245.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1100  199.5800  245.9764 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1275  201.6186  246.3598 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0251  202.8428  245.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8490  203.6168  245.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7926  204.7774  244.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8928  205.1960  244.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0768  204.4662  244.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1449  203.3022  244.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6317  202.4155  244.9137 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.6546  203.3094  246.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8874  201.7030  247.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
61.32793625,74.67262521,-67.19565688,-5.33606723,-39.37922737,116.08267010
198.43081640,201.71950096,243.59050991,-0.33517522,1.40276534,-0.04025057

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445626/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.28342

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-3.11658

>  <SCORE.INTRA.DIHEDRAL>
-0.841129

>  <SCORE.INTRA.DIHEDRAL.0>
2.91195

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.69602

>  <SCORE.INTRA.VDW.0>
-0.149497

>  <SCORE.INTRA.norm>
-0.148409

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.394448

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000198

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  201.9400  198.5937  241.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2856  199.1021  242.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8085  200.5173  242.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1804  201.4886  242.9208 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0533  200.6190  242.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1505  198.5090  240.1992 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1265  197.4091  240.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8257  196.4818  241.3827 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3628  197.5474  240.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7107  198.2221  238.8377 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4218  198.6876  237.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3787  198.0809  237.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9252  200.0146  237.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1368  201.1353  238.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6097  201.3723  238.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2237  202.3000  237.9444 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2031  200.4205  239.1964 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4128  201.5274  241.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4473  198.3407  239.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1201  197.4077  238.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1676  200.5659  239.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 18  1  0  0  0  0
  6  1  1  1  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <CHROM.1>
63.25457362,68.10463266,107.60745686,179.69759362,20.04670463,149.41739706
1.23245589,86.04532396,66.07233793,65.46755894,102.38234090,178.50599883
203.66081382,199.45042614,239.91890856,-2.98407253,1.26486792,0.02123866

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445627/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.81562

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.847059

>  <SCORE.INTRA>
-7.58438

>  <SCORE.INTRA.DIHEDRAL>
-2.82103

>  <SCORE.INTRA.DIHEDRAL.0>
9.26221

>  <SCORE.INTRA.POLAR>
-0.508164

>  <SCORE.INTRA.POLAR.0>
-0.491836

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.44611

>  <SCORE.INTRA.VDW.0>
0.69476

>  <SCORE.INTRA.norm>
-0.44614

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.400919

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008575

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  193.5272  228.4273  255.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7551  226.9302  255.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5482  226.4544  256.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7826  224.9546  256.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5740  224.4896  257.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8069  222.9914  257.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5980  222.5275  258.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8302  221.0297  258.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6214  220.5664  259.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8544  219.0684  259.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6391  218.6015  261.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8767  217.1026  260.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6723  216.6353  262.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9166  215.1373  262.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7116  214.6679  263.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9562  213.1854  263.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0769  212.6755  263.1928 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-179.81943548,-179.97508613,-179.99500737,179.97331046,179.99394973,179.99811136
-179.96581722,-179.68128027,-179.80816083,179.52902575,-179.90299056,-179.95323202
179.87228162,119.83728206,197.52085397,220.32147826,259.49818695,-2.62391646
1.06510552,-2.65241113

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445628/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.6916

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14118

>  <SCORE.INTRA>
-0.708443

>  <SCORE.INTRA.DIHEDRAL>
0.0016324

>  <SCORE.INTRA.DIHEDRAL.0>
1.09617

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.70926

>  <SCORE.INTRA.VDW.0>
-1.26979

>  <SCORE.INTRA.norm>
-0.0416731

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
1.0995

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  194.5260  221.3201  264.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9054  220.6779  264.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8549  219.1886  263.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7921  218.4320  264.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4214  219.1373  264.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5383  220.6268  265.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6682  216.9820  264.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0220  215.9713  265.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9187  214.6217  264.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4696  214.2448  263.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1238  215.2215  262.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2241  216.5752  263.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8548  217.4255  262.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9497  218.3450  262.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
115.43226710,0.48820921,194.55133492,217.80476606,263.99699813,1.49376365
-1.22570618,0.05332634

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445629/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94834

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.451655

>  <SCORE.INTRA.DIHEDRAL>
-0.00390104

>  <SCORE.INTRA.DIHEDRAL.0>
0.724554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.449705

>  <SCORE.INTRA.VDW.0>
-0.354454

>  <SCORE.INTRA.norm>
-0.0347427

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.457565

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004138

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  201.8696  194.4441  247.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3653  194.7262  249.7996 W   0  0  0  0  0  0  0  0  0  0  0  0
  202.0926  196.3636  249.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7880  195.4105  249.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8650  194.9989  251.7181 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6300  195.2853  247.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4943  195.9164  251.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <CHROM.1>
-44.29294751,-178.97190551,201.30870496,194.88134537,249.76313722,1.30021151
-0.34495420,-1.81095917

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445630/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.11896

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08

>  <SCORE.INTRA>
-0.281041

>  <SCORE.INTRA.DIHEDRAL>
-0.562082

>  <SCORE.INTRA.DIHEDRAL.0>
0.795401

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.0562082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.02379

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.219061

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  220.9641  184.4325  241.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3621  183.8291  242.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8165  183.8295  242.5980 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.2062  182.8415  241.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5745  181.4850  241.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4189  183.5389  243.9887 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0165  183.8450  244.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0947  182.7484  243.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0926  183.0884  242.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1594  182.1560  242.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2699  180.8285  242.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2800  180.4713  243.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1683  181.4207  244.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4509  180.8272  245.4881 Br  0  0  0  0  0  0  0  0  0  0  0  0
  213.5299  179.7403  242.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2735  179.9278  241.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7401  178.5515  241.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2324  178.7066  241.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8880  179.8158  242.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1969  180.4800  242.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2053  182.5136  241.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6778  183.1183  240.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5146  183.4488  239.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2555  181.2318  242.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.9914  184.1030  244.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
69.32275959,60.82939333,164.71823316,60.44009336,80.42050755,-121.89004082
54.72204436,-18.61596108,175.79444097,179.70026813,215.58993898,181.65006281
242.92815530,-0.00085656,-0.41065075,-0.91819699

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445632/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.7326

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626087

>  <SCORE.INTRA>
-2.66741

>  <SCORE.INTRA.DIHEDRAL>
1.63505

>  <SCORE.INTRA.DIHEDRAL.0>
4.41101

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.48494

>  <SCORE.INTRA.VDW.0>
1.12778

>  <SCORE.INTRA.norm>
-0.115974

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.510113

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  275.3321  185.5765  256.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
  274.2094  184.9364  256.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
  273.6620  185.3958  255.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  274.2232  186.4736  254.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  275.3468  187.1102  255.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  275.8983  186.6725  256.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  277.0884  187.3906  256.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
  277.5344  188.3384  256.1092 O   0  0  0  0  0  0  0  0  0  0  0  0
  277.6902  186.8830  258.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  278.8524  185.3701  257.6714 Br  0  0  0  0  0  0  0  0  0  0  0  0
  272.5640  184.8077  254.6009 O   0  0  0  0  0  0  0  0  0  0  0  0
  272.2760  184.0744  255.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
0.15851347,179.56676015,81.61051880,276.63972628,185.98713009,256.58364854
3.01682611,-0.45877134,-0.33632942

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445633/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94544

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-1.45456

>  <SCORE.INTRA.DIHEDRAL>
-2.96896

>  <SCORE.INTRA.DIHEDRAL.0>
4.27846

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0299214

>  <SCORE.INTRA.VDW.0>
0.355695

>  <SCORE.INTRA.norm>
-0.132233

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.540494

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004245

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  191.8352  218.4064  250.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8883  219.4138  250.2938 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3405  219.8897  251.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4950  219.7713  249.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5326  220.5205  248.8224 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5812  221.2573  249.8932 P   0  0  0  0  0  0  0  0  0  0  0  0
  196.8014  219.8059  250.7994 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.0885  222.2841  248.8588 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.9419  219.1685  247.9378 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0871  219.8740  246.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6947  218.0870  247.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
105.35206371,71.71565951,194.70806026,220.19187268,249.42744440,3.08659741
-0.53530116,-1.29858560

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445642/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.96638

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-4.43362

>  <SCORE.INTRA.DIHEDRAL>
-0.191684

>  <SCORE.INTRA.DIHEDRAL.0>
0.706011

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.33778

>  <SCORE.INTRA.VDW.0>
3.22431

>  <SCORE.INTRA.norm>
-0.403056

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.269671

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014964

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  204.7314  196.7909  239.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4715  196.5960  240.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5671  195.8661  239.6002 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3315  197.2992  241.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1559  197.1170  242.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9894  197.7505  243.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0069  198.5453  243.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1628  198.7544  243.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3319  198.1331  241.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8050  199.2067  245.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6501  200.5949  245.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4978  198.9148  245.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5433  200.9174  244.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
179.77669642,-108.74468012,-70.27668009,203.19769470,197.92088889,242.23974922
-1.43408165,0.47011672,0.94417993

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445643/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.83464

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.565356

>  <SCORE.INTRA.DIHEDRAL>
-0.444002

>  <SCORE.INTRA.DIHEDRAL.0>
0.963978

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.343355

>  <SCORE.INTRA.VDW.0>
0.79345

>  <SCORE.INTRA.norm>
-0.051396

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.621331

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008537

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  191.1018  214.6937  259.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1151  213.9424  259.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8118  213.0174  258.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4897  212.8082  257.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4863  213.5828  258.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7879  214.5187  259.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1646  211.8075  256.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1686  211.0344  256.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8602  210.1166  255.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5386  209.9359  254.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5248  210.6705  255.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8385  211.6003  256.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1846  209.0514  253.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1278  209.2174  254.5094 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.9331  208.4362  253.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-0.77604122,17.57052311,190.54665867,211.52348215,256.63360373,-1.55058846
0.11016586,-2.34614750

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445644/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.0586

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.341398

>  <SCORE.INTRA.DIHEDRAL>
-0.996693

>  <SCORE.INTRA.DIHEDRAL.0>
1.42749

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.156949

>  <SCORE.INTRA.VDW.0>
0.547753

>  <SCORE.INTRA.norm>
-0.0243856

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.432757

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035729

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  214.9489  205.4503  237.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0279  206.3594  238.3763 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1464  206.2827  239.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2039  207.2076  240.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1444  206.8748  241.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3839  208.0544  241.9047 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3954  208.8837  242.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5855  209.2972  241.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4068  208.7169  240.4122 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.1051  209.3071  239.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9044  208.9242  240.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6946  205.5175  241.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6592  205.3085  242.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2163  204.0133  242.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8080  202.9262  242.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8448  203.1247  241.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2899  204.4221  240.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2500  201.3324  242.4999 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.0757  206.1004  238.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-179.81690004,112.42309585,173.77646768,212.09687164,205.85115530,241.13015939
-0.99844390,-0.84315326,-2.99577090

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445645/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.99161

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-4.40839

>  <SCORE.INTRA.DIHEDRAL>
-12.7362

>  <SCORE.INTRA.DIHEDRAL.0>
13.2119

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.95971

>  <SCORE.INTRA.VDW.0>
-2.07475

>  <SCORE.INTRA.norm>
-0.24491

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.221756

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001050

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  199.1701  186.3715  247.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8489  187.6760  246.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9780  187.9329  245.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4739  186.8447  245.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8098  185.5295  245.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6478  185.2915  246.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2623  184.4046  244.6833 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.5397  184.6556  243.7145 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5310  183.2452  245.0747 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.6609  189.3371  245.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8674  189.7954  244.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7172  191.2561  244.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2911  192.1110  245.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8898  191.4539  243.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6988  192.7932  242.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4018  193.2814  242.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2739  194.6065  242.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2969  195.2486  241.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5986  194.8193  241.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7989  193.6056  242.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9378  196.5071  241.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2838  196.7377  239.9695 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1307  197.4039  241.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5066  196.7562  242.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3023  195.3795  243.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9729  198.8434  241.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8342  199.4864  240.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8386  200.8719  240.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9822  201.6444  241.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0998  201.0363  242.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0879  199.6480  242.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0426  203.3577  241.3282 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <CHROM.1>
179.37796851,2.49926328,-176.71655372,-125.16514564,-15.06272016,195.79256638
193.43361205,243.26589291,-1.16055613,-0.92308175,0.06639090

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445646/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.22084

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-2.17916

>  <SCORE.INTRA.DIHEDRAL>
-5.13611

>  <SCORE.INTRA.DIHEDRAL.0>
8.6872

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.388892

>  <SCORE.INTRA.VDW.0>
-0.527332

>  <SCORE.INTRA.norm>
-0.0680988

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.256901

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000182

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  208.7484  179.4180  252.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2856  178.2745  251.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4750  177.0246  251.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0228  175.9056  250.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2467  174.7987  251.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3545  176.2035  249.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8623  175.2271  248.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2557  175.7077  247.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1483  177.0679  247.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6143  178.0556  247.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2210  177.5859  249.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6732  178.5993  249.9939 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5452  179.4276  247.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3283  179.9431  247.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5299  177.2614  245.8933 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2391  176.0451  245.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6603  175.0575  246.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8483  173.8709  248.5699 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9675  173.0629  248.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-49.43277836,41.73503106,207.00465413,176.78347352,248.76038418,0.29637652
-1.05793556,0.15539668

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445647/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.46766

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-3.93234

>  <SCORE.INTRA.DIHEDRAL>
4.90039

>  <SCORE.INTRA.DIHEDRAL.0>
0.000120469

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0157568

>  <SCORE.INTRA.REPUL.0>
0.0157568

>  <SCORE.INTRA.VDW>
-6.30375

>  <SCORE.INTRA.VDW.0>
6.37903

>  <SCORE.INTRA.norm>
-0.206965

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.182508

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  196.8015  210.2326  245.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5900  210.4420  246.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2860  211.1932  247.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7521  209.1282  247.7526 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.4984  209.3419  248.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8030  207.9592  247.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4192  208.0098  247.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0957  208.4656  249.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7430  208.2558  249.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4495  208.7801  250.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4069  209.6360  251.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6490  209.7254  251.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0566  209.0691  249.9622 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0835  210.4525  252.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9500  210.5038  253.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6032  211.2337  255.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3875  211.9203  255.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5193  211.8842  253.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8646  211.1488  252.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9556  212.8056  256.4626 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.2745  208.6083  251.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8032  207.4394  248.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0561  207.1175  247.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3533  207.4786  247.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6044  207.2240  245.8767 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2348  208.6467  247.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1619  209.7748  248.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4281  207.4495  248.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6583  208.0404  251.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7 24  1  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
-174.33812258,-80.35156966,51.66134714,-36.43844459,0.93103474,136.03188252
194.17521579,209.60151285,250.31123123,-1.11387862,0.32368671,1.03983529

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445648/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09886

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-4.30114

>  <SCORE.INTRA.DIHEDRAL>
-1.13184

>  <SCORE.INTRA.DIHEDRAL.0>
5.79115

>  <SCORE.INTRA.POLAR>
-1.19314

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.321469

>  <SCORE.INTRA.VDW.0>
0.735537

>  <SCORE.INTRA.norm>
-0.159301

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.225884

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000299

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  214.7011  188.6635  246.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6400  189.5300  247.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2658  190.7424  246.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2302  191.5118  247.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5767  191.0820  248.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9550  189.8887  249.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9771  189.1135  248.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7452  192.6774  246.8420 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5169  193.2234  245.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3164  194.4845  245.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5452  194.4945  245.9958 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5677  195.6297  246.1773 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1801  196.9116  246.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9126  197.3623  247.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5990  197.4395  248.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3451  197.8865  249.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3962  198.2355  250.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7073  198.1633  250.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9642  197.7252  248.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0263  198.6805  251.7377 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8279  198.2233  252.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4901  193.5753  247.5294 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.2316  194.7496  246.7213 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4150  192.6775  247.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2281  194.1424  249.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4167  194.4207  250.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9940  194.8840  251.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3760  195.0630  251.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1889  194.7453  250.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6195  194.2653  249.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5594  195.5699  246.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-12.14565186,-104.62275355,176.34165138,112.86813618,-109.95492029,-54.20664181
139.72628423,-152.73769278,212.23671302,194.32704509,248.47097000,1.43584397
-1.33277814,-2.89084013

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445649/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.84026

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-10.5597

>  <SCORE.INTRA.DIHEDRAL>
-11.7364

>  <SCORE.INTRA.DIHEDRAL.0>
22.3617

>  <SCORE.INTRA.POLAR>
-0.835096

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.85223

>  <SCORE.INTRA.VDW.0>
-4.13842

>  <SCORE.INTRA.norm>
-0.351991

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0946753

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  220.7304  188.6370  245.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1242  187.3624  245.3116 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.8201  186.3596  246.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2285  186.5122  247.6404 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7483  185.4794  248.3852 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0400  184.7016  247.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0251  185.2045  246.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2716  184.7268  245.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9747  184.1946  245.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3612  183.5819  244.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9542  183.6389  242.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1750  184.2839  242.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8569  184.7749  243.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8386  184.5040  241.2035 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.9219  184.4901  246.6183 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.3638  183.1748  248.1266 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.5842  182.0079  247.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7927  182.0354  245.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9610  181.3619  245.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2827  181.3076  243.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4462  181.9101  243.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2852  182.5778  244.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9618  182.6382  245.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9041  187.6959  244.5953 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8920  187.7684  243.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8854  187.4930  242.5435 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5925  188.2732  242.5851 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4307  187.3213  242.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2116  189.8839  243.2585 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.1081  188.0313  245.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
-9.63812180,102.82114843,-99.69146977,-137.96662905,-59.03881891,-82.58508081
-64.61094084,218.62371858,185.13449824,244.84048866,-3.09868811,1.41675974
-2.10782050

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445658/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.62418

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-5.77582

>  <SCORE.INTRA.DIHEDRAL>
3.20468

>  <SCORE.INTRA.DIHEDRAL.0>
9.15244

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.37816

>  <SCORE.INTRA.VDW.0>
-2.73178

>  <SCORE.INTRA.norm>
-0.199166

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.22842

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000203

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  187.5789  218.2836  257.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0734  216.9513  257.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7934  216.0145  257.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1589  215.3663  258.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9519  214.4622  259.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2732  214.1633  259.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8400  214.7647  258.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1070  215.6886  257.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2239  214.4623  257.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9605  213.6123  258.4012 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3036  213.4271  258.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0757  212.5098  258.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4479  212.3887  258.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0925  213.1764  257.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3097  214.0943  256.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9357  214.2143  257.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9702  215.3379  255.4987 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.4565  213.0613  257.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0595  212.6992  256.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4148  211.1328  259.5253 Br  0  0  0  0  0  0  0  0  0  0  0  0
  185.8143  215.5926  259.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4393  216.3673  260.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0297  217.7782  260.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8048  217.7666  260.6977 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  184.8324  214.5539  258.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6958  214.3489  257.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1531  213.6273  256.6141 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
116.97811540,-107.79738643,1.17910334,179.58143195,124.30000271,56.54802829
-63.00209655,-66.97399617,68.36280443,191.64520691,214.41783793,258.04401537
-3.00669157,-0.27791236,2.39954636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445659/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3925

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-4.00747

>  <SCORE.INTRA.DIHEDRAL>
1.38699

>  <SCORE.INTRA.DIHEDRAL.0>
8.27324

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.70097

>  <SCORE.INTRA.VDW.0>
1.53456

>  <SCORE.INTRA.norm>
-0.148425

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.384909

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000083

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  220.7608  174.9537  244.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9839  176.0648  243.4830 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.6176  175.5411  242.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8107  175.5307  241.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3131  176.9548  240.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4945  177.7138  242.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2573  178.8955  242.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4448  179.6610  243.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8833  179.2488  244.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1197  178.0830  244.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8811  177.3128  243.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6643  176.3399  244.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7553  177.4162  243.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3774  178.7488  243.5318 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0029  179.4249  242.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9612  179.5677  244.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.19043891,-60.46005718,141.85356488,220.14210129,177.58641356,243.16001959
0.76172997,-0.28760328,-2.83443525

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445660/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.57175

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-1.82825

>  <SCORE.INTRA.DIHEDRAL>
1.65813

>  <SCORE.INTRA.DIHEDRAL.0>
0.018463

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.65732

>  <SCORE.INTRA.VDW.0>
0.863474

>  <SCORE.INTRA.norm>
-0.114266

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.410734

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005988

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  200.8819  218.2118  261.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3959  219.2140  260.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2505  219.9734  259.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7774  220.9707  258.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5916  221.7120  257.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9542  222.7616  256.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7472  223.5131  256.1594 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0559  224.4819  257.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4646  223.8360  258.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8914  224.0706  259.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4635  223.2140  260.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6588  222.5583  261.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2159  221.5602  262.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4358  220.9034  263.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0246  219.8175  264.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2601  219.1532  264.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9057  217.9878  265.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2103  216.8923  264.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0614  216.5447  265.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1054  216.3057  264.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5103  215.2742  263.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5346  214.6533  262.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8986  213.5690  261.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9168  212.9313  260.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1702  224.2310  254.9981 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4480  223.5710  254.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.47912546,-179.12493815,179.43517232,-179.13427549,70.20928922,-62.05672424
63.94025307,115.32100337,119.86820837,-173.22889821,179.13346333,-175.44987888
178.70743898,-175.84333207,63.20955289,-114.07048032,-178.81091846,179.60659963
-179.07484676,-179.42684628,199.43171951,219.73006676,260.91553486,-1.22663322
1.23391949,-0.98766028

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445661/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1053

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.976

>  <SCORE.INTRA>
-13.2947

>  <SCORE.INTRA.DIHEDRAL>
-22.2954

>  <SCORE.INTRA.DIHEDRAL.0>
24.6389

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.14698

>  <SCORE.INTRA.VDW.0>
-0.998802

>  <SCORE.INTRA.norm>
-0.531787

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.444213

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007338

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  214.0349  177.3489  254.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8114  177.2060  253.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0171  178.5618  252.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7947  178.4226  251.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0060  179.7486  250.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5625  180.0577  249.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8497  181.3782  248.9213 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.6034  181.1307  247.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6077  182.0521  248.6371 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9485  182.4921  249.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3078  182.3666  250.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6408  183.1166  249.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8109  183.5309  250.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4983  183.9657  250.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0525  184.0427  248.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8899  183.6669  247.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1793  183.1981  248.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5672  184.2635  251.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2808  183.8791  251.1313 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.9380  183.6495  252.5196 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.5074  185.5949  251.6481 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
-179.85012835,-179.81768435,-120.06985403,120.57220359,69.16397572,-0.03309552
175.62058590,-142.03175322,212.82849567,181.94881286,250.58800202,0.52926473
-0.58045642,2.20984762

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445662/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.804

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.638095

>  <SCORE.INTRA>
-0.595973

>  <SCORE.INTRA.DIHEDRAL>
-1.80747

>  <SCORE.INTRA.DIHEDRAL.0>
2.93724

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.307763

>  <SCORE.INTRA.VDW.0>
-1.05001

>  <SCORE.INTRA.norm>
-0.0283797

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.609716

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.079074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  226.1525  178.3298  250.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5953  177.0868  250.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3733  176.1500  251.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7117  176.4409  252.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2576  177.6867  252.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4533  178.6441  251.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0358  179.8186  252.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.7988  180.9850  251.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7271  181.9179  251.8602 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.5324  183.0213  251.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4881  183.2611  250.3721 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6322  182.2477  250.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7173  181.0952  250.9273 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.5710  182.3444  249.3829 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.5331  183.4537  248.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3078  184.1134  248.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1973  185.2544  247.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3121  185.7268  246.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5278  185.0497  247.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6317  183.8988  247.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1900  187.1523  246.0116 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  228.4869  184.0291  251.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.2936  185.1299  250.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3199  185.4150  249.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2157  186.5134  248.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0884  187.3309  248.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0806  187.0786  249.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1936  185.9904  250.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9411  188.6636  247.5795 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.6892  174.6207  250.9677 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
30.80645500,-157.64955698,176.52375773,5.11532937,-133.58156619,-123.60435707
226.18127658,182.72899084,249.68629759,1.67792285,0.62297320,2.72671075

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445663/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3697

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-1.03029

>  <SCORE.INTRA.DIHEDRAL>
-0.556362

>  <SCORE.INTRA.DIHEDRAL.0>
8.50611

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.752106

>  <SCORE.INTRA.VDW.0>
-0.874529

>  <SCORE.INTRA.norm>
-0.0343429

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.345657

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001278

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  220.2152  187.4045  254.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3044  186.0808  253.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4635  185.0084  254.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5273  183.6826  253.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6773  182.6133  254.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6649  181.2809  253.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7988  180.2412  254.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3923  179.7066  255.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6455  178.8539  255.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5063  179.6624  256.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2110  178.6684  255.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7043  180.9245  256.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5756  181.8346  255.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6725  183.1511  256.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5143  184.1176  255.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5782  185.4500  256.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3984  186.4176  255.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4778  187.7886  256.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2755  188.7234  255.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8066  189.6251  254.8238 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.6098  188.4429  255.4737 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1238  189.0224  254.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
178.69680632,-179.73740622,177.62312634,-179.80683587,-70.83447879,-67.46265452
113.88586880,-111.08525969,177.61717371,-178.90984698,178.50159266,-178.57392684
178.61915457,-178.50293374,107.37527070,179.06640658,221.19858948,183.92304198
255.21144173,1.00108749,-0.51862523,-0.27800132

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445664/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.4812

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.971429

>  <SCORE.INTRA>
-5.91876

>  <SCORE.INTRA.DIHEDRAL>
-2.46242

>  <SCORE.INTRA.DIHEDRAL.0>
5.47101

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.68755

>  <SCORE.INTRA.VDW.0>
-0.377746

>  <SCORE.INTRA.norm>
-0.281846

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.689583

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018280

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  187.4653  210.7367  260.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6515  209.8840  260.7407 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7228  208.6440  261.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7633  207.8051  261.1320 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.5817  206.5066  261.5898 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3505  206.3724  262.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4414  207.8506  262.0850 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.7563  205.1182  262.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4351  205.0608  263.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8819  203.8553  263.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6249  202.6787  263.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9409  202.7176  262.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5003  203.9287  262.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9799  201.5670  263.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1109  200.4021  263.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0885  208.0878  260.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4614  210.2128  260.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
178.39241743,-179.99732856,134.99883354,187.86651555,205.88900579,262.15931382
1.24753641,0.30937760,-0.21241721

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445665/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.88438

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-1.51562

>  <SCORE.INTRA.DIHEDRAL>
-2.09763

>  <SCORE.INTRA.DIHEDRAL.0>
4.64911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.466807

>  <SCORE.INTRA.VDW.0>
1.6572

>  <SCORE.INTRA.norm>
-0.0947264

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.430274

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002845

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  210.6324  191.3272  247.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0185  191.4017  248.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9935  192.5675  248.7247 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1235  193.0424  247.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3302  192.3276  246.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2089  192.4840  244.7700 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.2638  194.2026  246.7534 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.4703  193.6470  249.7848 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.2190  193.1395  251.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9323  193.3016  251.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2187  193.9278  250.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0687  194.1817  249.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6871  194.9747  248.0060 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.5592  194.2957  250.5126 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.2369  192.9286  253.0661 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.4587  192.6126  252.2606 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.5654  195.0845  249.9559 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.6028  191.8477  249.1570 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.5133  190.3736  249.7748 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.5201  190.2225  246.5697 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  1  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  1  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
60.58254608,210.94620580,192.89854351,249.07916585,1.30518845,-0.20531993
-1.80124386

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445672/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06935

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.330646

>  <SCORE.INTRA.DIHEDRAL>
-0.222028

>  <SCORE.INTRA.DIHEDRAL.0>
0.236982

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.219632

>  <SCORE.INTRA.VDW.0>
-4.99987

>  <SCORE.INTRA.norm>
-0.0165323

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.303468

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040322

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  184.8170  227.7626  259.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1524  228.1687  257.8712 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2401  228.8374  257.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0983  228.9560  256.0787 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.9082  228.3456  255.7667 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.3242  227.8579  256.8520 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6527  229.3044  258.2620 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.8556  229.6860  256.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9883  228.6096  255.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6607  228.7810  254.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6676  227.6755  253.7511 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0308  226.4254  254.1862 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.0546  225.6830  253.2858 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.7685  227.0567  253.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8762  227.4362  252.9204 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4963  225.1810  251.9954 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7706  224.0132  251.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5893  223.3042  252.9513 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1716  223.6404  250.5923 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.8526  224.3344  250.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6749  223.5932  250.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4574  224.2398  249.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3983  225.6341  249.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5548  226.3827  250.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7730  225.7400  250.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0634  224.0020  249.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1997  225.9979  255.9497 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.4345  227.2476  256.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1021  230.1213  253.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9840  231.1317  254.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7959  229.9931  252.6816 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.4290  225.8279  251.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.8778  223.4852  249.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 28  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  1  0  0  0
 13 14  1  0  0  0  0
 13 16  1  6  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 19 17  1  1  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 33  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  CHG  1  31  -1
M  END
>  <CHROM.1>
163.93196628,-49.98358962,115.87779030,1.79739945,-79.95968359,-84.18223959
-118.82953615,61.08094489,187.20373684,227.00937947,254.06848858,1.43710575
0.16012550,1.00454118

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445674/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.06524

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-7.33476

>  <SCORE.INTRA.DIHEDRAL>
-8.40565

>  <SCORE.INTRA.DIHEDRAL.0>
11.7639

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.13193

>  <SCORE.INTRA.VDW.0>
-2.24062

>  <SCORE.INTRA.norm>
-0.236605

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.163395

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000230

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  201.0433  220.2078  251.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0816  219.8738  252.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2082  220.5266  253.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3134  221.5473  254.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2427  221.8354  253.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1105  221.1698  252.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5535  222.3577  255.5228 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2822  223.7032  255.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5568  224.6126  254.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0033  225.3661  253.7019 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6612  223.4766  254.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7599  223.2804  254.5186 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2825  222.6152  256.2415 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2554  222.1455  257.3990 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0007  222.3504  258.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8115  221.8728  259.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5765  222.0104  259.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5131  222.6276  259.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6834  223.1109  258.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9159  222.9680  257.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  6  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  3  0  0  0  0
 11 12  3  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
96.29821803,59.62743462,119.77936060,179.70239713,200.44541120,222.38811448
255.60279533,0.70282608,-0.58383532,-2.23870380

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445675/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.31788

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-1.08212

>  <SCORE.INTRA.DIHEDRAL>
-2.5609

>  <SCORE.INTRA.DIHEDRAL.0>
3.52316

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.198332

>  <SCORE.INTRA.VDW.0>
-1.76458

>  <SCORE.INTRA.norm>
-0.0541058

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.415894

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 28  0  0  0  0  0  0  0  0999 V2000
  217.9972  187.8764  239.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5312  187.9102  240.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5819  188.6294  241.6005 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.9507  188.3100  243.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5815  189.0310  243.8423 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5193  187.0833  243.4771 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6198  190.1368  241.4295 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3202  190.8283  241.7521 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.3957  192.3535  241.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2777  192.7691  243.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7392  192.2333  244.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2762  191.3297  245.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5718  192.7858  244.8518 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3662  190.5797  240.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6620  190.7812  239.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1979  190.0129  240.9546 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8445  186.8930  238.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7245  187.3906  239.7483 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3558  186.7726  240.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8441  185.6458  241.3594 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3261  187.2504  241.5308 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8087  186.9496  244.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7321  190.2907  240.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2097  192.4541  245.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6581  189.8300  240.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4953  185.8104  242.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.1084  185.0085  241.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.4138  188.2588  241.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4245  187.0037  241.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  6  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
>  <CHROM.1>
-73.74629934,65.53197128,164.37511992,100.53419196,149.05727486,178.42612122
163.87727607,-62.12110467,-50.62442200,-62.32568881,108.39354701,-179.50080957
-176.60493292,-109.06977172,97.37078378,-43.10008182,216.57348275,189.35779729
241.84443808,1.65677784,0.98522579,-2.59511439

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445676/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.48068

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.87619

>  <SCORE.INTRA>
-11.9193

>  <SCORE.INTRA.DIHEDRAL>
-2.42195

>  <SCORE.INTRA.DIHEDRAL.0>
11.5815

>  <SCORE.INTRA.POLAR>
-0.776521

>  <SCORE.INTRA.POLAR.0>
-1.22348

>  <SCORE.INTRA.REPUL>
-0.245558

>  <SCORE.INTRA.REPUL.0>
0.245558

>  <SCORE.INTRA.VDW>
-6.84039

>  <SCORE.INTRA.VDW.0>
0.801024

>  <SCORE.INTRA.norm>
-0.567587

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.308604

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014431

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  216.3144  192.8655  242.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7269  193.0595  240.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5230  193.0859  240.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4783  192.8837  240.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8854  192.7230  242.1764 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1637  192.8627  240.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8626  193.1160  239.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9665  193.3481  238.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3006  193.2985  238.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4325  193.2185  238.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8869  192.9901  237.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5215  192.4782  236.2300 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.6201  191.9218  236.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8494  192.5715  235.1942 O   0  5  0  0  0  0  0  0  0  0  0  0
  210.4022  193.5890  239.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3748  195.3580  239.9926 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.2515  196.0468  238.7224 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4400  195.6055  241.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0138  195.7247  240.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3050  195.5086  241.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5929  195.7629  242.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5854  196.2142  241.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2946  196.4123  240.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0075  196.1683  239.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
>  <CHROM.1>
-153.97317378,81.82863711,50.10730964,-81.46057609,212.77746860,194.08404528
239.64692895,-0.58678623,0.41746548,-2.19238189

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445677/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.41628

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-3.98372

>  <SCORE.INTRA.DIHEDRAL>
-1.89879

>  <SCORE.INTRA.DIHEDRAL.0>
6.52654

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.03432

>  <SCORE.INTRA.VDW.0>
-2.01208

>  <SCORE.INTRA.norm>
-0.165988

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.225678

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000350

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  196.1558  217.2522  249.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6241  217.4726  248.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1307  216.4822  247.8838 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8145  215.3640  248.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9610  215.0821  249.5001 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3224  214.4115  247.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2323  213.3705  247.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6789  212.5698  246.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2002  212.7468  245.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2407  213.7250  244.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8176  214.5537  245.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8864  215.5209  245.6500 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6934  213.9021  243.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7902  214.4117  242.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0468  212.6383  242.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7717  213.0301  248.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9240  216.5953  246.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2556  215.1391  244.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-97.17169039,168.18580668,-67.03458051,-142.32936265,198.90646602,214.58663520
246.54256508,1.90417477,-0.82605350,1.30672265

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445678/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.50313

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-2.89687

>  <SCORE.INTRA.DIHEDRAL>
-2.44775

>  <SCORE.INTRA.DIHEDRAL.0>
6.91702

>  <SCORE.INTRA.POLAR>
-0.640181

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.503623

>  <SCORE.INTRA.VDW.0>
0.765187

>  <SCORE.INTRA.norm>
-0.181054

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.343946

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001605

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  212.7640  206.6103  244.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0804  204.6727  245.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5149  204.1534  247.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6903  205.3923  248.3402 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3173  207.1288  247.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8720  207.8413  246.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2568  207.9807  248.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0596  207.5785  249.8279 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8906  208.4466  250.8029 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8978  209.7728  250.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8864  210.2043  249.2730 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0605  209.3141  248.2673 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0587  210.6200  251.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0968  210.1736  253.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2444  211.1284  254.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3202  212.4944  253.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2336  212.8950  252.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1138  211.9621  251.5533 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
29.03867154,-5.24863467,210.79184216,208.79743855,249.67434756,0.11090406
1.32537338,-0.85213563

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445679/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.90871

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.49129

>  <SCORE.INTRA.DIHEDRAL>
0.000261385

>  <SCORE.INTRA.DIHEDRAL.0>
0.540934

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0204741

>  <SCORE.INTRA.REPUL.0>
0.0204741

>  <SCORE.INTRA.VDW>
-0.38905

>  <SCORE.INTRA.VDW.0>
-0.310865

>  <SCORE.INTRA.norm>
-0.0272939

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.383817

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  203.2919  194.2074  243.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2291  195.3097  242.6363 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8899  195.6804  241.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6598  195.5846  240.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6200  196.1935  241.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4841  197.1548  240.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2571  198.3612  240.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1069  199.1746  241.4519 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0181  200.1675  241.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7237  199.9570  240.0489 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2286  198.7537  239.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1679  201.3410  242.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2819  201.5610  243.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4196  202.6925  243.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4333  203.6178  243.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3205  203.4065  242.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1946  202.2680  241.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3319  202.9488  245.1847 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.1563  196.4586  243.5422 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0318  197.5050  243.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9221  197.5300  242.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8712  198.6498  244.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8228  199.6751  244.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7557  200.7197  245.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7393  200.7398  246.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7805  199.7257  246.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8401  198.6807  245.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3040  196.5902  244.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-119.48124425,172.11080851,149.22031889,-69.35915443,-62.00016310,-6.47909539
174.23438337,204.05733407,199.29574458,242.82736028,-1.56664757,-1.53357300
0.43727669

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445680/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.09548

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-7.30452

>  <SCORE.INTRA.DIHEDRAL>
-6.57202

>  <SCORE.INTRA.DIHEDRAL.0>
15.7908

>  <SCORE.INTRA.POLAR>
0.0622937

>  <SCORE.INTRA.POLAR.0>
-0.0622937

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.2303

>  <SCORE.INTRA.VDW.0>
-1.14455

>  <SCORE.INTRA.norm>
-0.270538

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.188722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001050

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  195.4089  215.0106  257.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6638  215.2602  256.4568 S   0  3  1  0  0  0  0  0  0  0  0  0
  197.8555  216.1125  257.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2235  216.3016  256.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2855  217.3565  255.7813 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.7259  217.5002  255.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1166  217.0841  254.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5590  218.1317  256.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4002  216.9104  254.6788 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3880  213.5688  256.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3393  213.2713  255.3789 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2142  212.0335  255.5737 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.6200  211.7321  254.1395 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3361  212.0903  253.3452 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6270  213.0771  254.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5808  212.6123  252.0268 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7250  211.7898  250.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3871  212.5631  249.7654 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5142  213.8381  250.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9110  215.0314  249.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0160  216.1427  250.5594 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7349  216.0025  251.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3339  214.8853  252.5159 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1937  213.8279  251.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0996  215.1377  248.4368 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7582  212.5679  253.8579 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5254  210.9432  256.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4840  218.2088  255.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8204  216.0703  254.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4525  217.5978  253.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8269  212.6668  248.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7483  215.8883  248.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1938  215.2417  247.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4374  213.4863  253.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7696  210.6860  255.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 10  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  6  0  0  0
 13 14  1  0  0  0  0
 13 26  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 16 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
 27 35  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
169.70368724,168.55350159,72.42953436,177.08529535,106.59116371,-67.42949523
178.70105758,166.09120049,59.56426073,-72.42278662,88.07810282,-155.29110635
198.95618500,214.51684371,253.93116579,2.12474650,1.09161739,0.81950764

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445681/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.00881

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-10.3912

>  <SCORE.INTRA.DIHEDRAL>
-4.28449

>  <SCORE.INTRA.DIHEDRAL.0>
10.8435

>  <SCORE.INTRA.POLAR>
-1.90041

>  <SCORE.INTRA.POLAR.0>
-0.002022

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78756

>  <SCORE.INTRA.VDW.0>
-3.25561

>  <SCORE.INTRA.norm>
-0.384859

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.148474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003828

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  192.5578  215.7740  256.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9070  217.1269  256.4152 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9437  217.6918  257.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2961  217.0838  254.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1406  218.3738  254.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8931  219.5091  254.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2357  219.6191  254.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7702  218.9124  253.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0300  220.6573  254.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4055  220.7576  254.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1570  221.7402  255.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5355  222.6132  256.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1667  222.5007  256.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5349  223.3567  257.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1884  223.2065  257.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4328  222.2602  257.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0363  221.4225  256.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4026  221.5102  255.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2140  220.4206  255.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9999  220.4155  255.6569 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5535  224.1358  258.6535 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7246  225.1070  258.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6696  223.9591  259.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
154.91452927,58.21331582,84.79120268,46.78432706,194.56692307,220.34959401
255.93165122,2.03794095,-0.51807081,-2.65619857

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445690/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.12317

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-1.27683

>  <SCORE.INTRA.DIHEDRAL>
0.224554

>  <SCORE.INTRA.DIHEDRAL.0>
3.29723

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.3891

>  <SCORE.INTRA.VDW.0>
-0.411478

>  <SCORE.INTRA.norm>
-0.0608012

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.386818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009484

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  190.8055  214.3223  261.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0114  213.2304  259.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1745  211.8568  260.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3902  210.7755  259.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5340  209.4258  260.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5258  208.6260  260.2694 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7527  207.3555  260.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9140  207.3557  262.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1289  208.5279  263.0534 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4044  209.6879  262.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4634  209.7331  262.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7805  210.8886  263.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7267  210.9569  264.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6402  212.0583  265.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8299  213.1663  265.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0407  213.1697  264.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9979  212.0280  263.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3798  212.0055  266.8212 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7400  211.3629  267.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7284  210.0453  265.0475 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0709  210.3828  264.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3324  210.5617  263.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8074  210.9365  263.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6916  208.4352  263.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.57833933,-179.36342475,100.02553884,111.59155269,-51.93315197,87.97803581
-6.50087548,103.46315925,-87.52428204,-62.77344584,179.13684012,190.86979208
210.78802958,263.08644767,2.36934508,1.54647460,-2.74971115

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445691/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.89305

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.713043

>  <SCORE.INTRA>
-11.507

>  <SCORE.INTRA.DIHEDRAL>
-2.03048

>  <SCORE.INTRA.DIHEDRAL.0>
14.8839

>  <SCORE.INTRA.POLAR>
-0.420975

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.0604

>  <SCORE.INTRA.VDW.0>
3.35542

>  <SCORE.INTRA.norm>
-0.500302

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.212741

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000202

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  190.3197  220.9511  264.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6281  220.8656  263.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3916  220.9022  262.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6304  220.7982  261.5851 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6634  221.0357  260.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3733  222.1204  259.7312 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1021  219.8229  259.3448 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.5970  219.5411  259.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8682  219.1474  260.9763 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2042  218.6620  259.6352 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8009  218.7833  259.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9568  218.3332  260.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5431  218.3615  260.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9498  218.8741  259.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7432  219.3185  258.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1337  219.2188  258.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4876  218.9213  259.3102 N   0  3  0  0  0  0  0  0  0  0  0  0
  185.8142  218.4971  260.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0205  219.3929  258.2549 O   0  5  0  0  0  0  0  0  0  0  0  0
  190.5151  217.8439  261.9820 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.7401  217.8523  262.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7093  217.4739  262.8572 O   0  5  0  0  0  0  0  0  0  0  0  0
  193.3423  220.1574  261.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8307  218.9992  261.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.5348  218.1979  260.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  4  17   1  19  -1  20   1  22  -1
M  END
>  <CHROM.1>
-179.01365141,-169.06563987,62.09515285,-68.11108007,63.50007422,49.11636663
179.91756868,-129.33023542,190.57912763,219.39309003,260.68760159,0.25896730
0.19884812,1.56573803

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445692/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.51023

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-6.88977

>  <SCORE.INTRA.DIHEDRAL>
-4.01771

>  <SCORE.INTRA.DIHEDRAL.0>
6.7504

>  <SCORE.INTRA.POLAR>
-0.612598

>  <SCORE.INTRA.POLAR.0>
-0.0216226

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.79808

>  <SCORE.INTRA.VDW.0>
-1.35312

>  <SCORE.INTRA.norm>
-0.313171

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.250465

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000255

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 43  0  0  0  0  0  0  0  0999 V2000
  200.2585  209.3029  251.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3144  210.0876  250.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6749  209.8437  250.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6577  210.5241  250.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2824  211.4571  249.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9287  211.7809  249.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9535  211.0962  249.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5344  212.3479  248.2812 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.7750  211.5989  248.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9898  212.5968  246.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7642  213.8357  249.1288 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1005  213.7058  250.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0118  214.1373  251.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0605  213.1969  251.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9695  213.5953  252.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8162  214.9362  253.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7568  215.8763  252.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8518  215.4766  251.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4437  215.4359  254.0040 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.5730  214.8027  248.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8475  214.4184  247.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6796  215.3179  247.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2224  216.5955  246.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9348  216.9724  247.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1072  216.0981  248.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7537  216.5631  248.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4321  217.7359  248.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9311  215.5877  249.0661 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6632  215.7867  249.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9225  214.6476  249.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6521  214.7610  250.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1016  216.0146  250.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8471  217.1544  250.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1209  217.0393  249.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8299  216.2106  251.3849 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9522  215.2326  251.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1221  214.0192  251.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6796  215.7890  252.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2276  214.6255  248.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5434  217.1742  251.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <CHROM.1>
18.56687204,54.48856686,-109.79493690,-54.42199078,89.71186912,171.67483128
171.48437644,2.37375970,202.44134206,214.22153677,250.17225001,3.08375494
0.52963712,-0.06444133

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445693/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.17443

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-9.22557

>  <SCORE.INTRA.DIHEDRAL>
-2.69352

>  <SCORE.INTRA.DIHEDRAL.0>
7.98789

>  <SCORE.INTRA.POLAR>
-0.671484

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.59576

>  <SCORE.INTRA.VDW.0>
-5.12108

>  <SCORE.INTRA.norm>
-0.242778

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.109853

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  223.7637  185.1086  245.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6867  184.4007  245.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4108  184.1735  245.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3860  183.4625  245.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1685  183.2184  245.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2230  182.5802  244.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3689  182.1428  243.8497 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0304  182.3204  245.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9870  181.5463  245.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9105  181.1839  246.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8839  181.5462  247.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8962  182.3719  247.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9738  182.7438  247.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7560  181.2798  248.2670 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8776  181.5526  247.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7248  180.3356  248.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.97326563,179.80337455,-179.76452764,5.14696434,-173.40607485,-47.53233837
218.18533944,182.74691452,246.01960827,-0.11777124,0.40866663,1.29200823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445695/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.30499

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.814286

>  <SCORE.INTRA>
-9.09501

>  <SCORE.INTRA.DIHEDRAL>
-19.1757

>  <SCORE.INTRA.DIHEDRAL.0>
19.7815

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.492863

>  <SCORE.INTRA.VDW.0>
0.103154

>  <SCORE.INTRA.norm>
-0.649644

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.164642

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001087

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  193.0526  217.1324  261.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2872  218.0474  260.1839 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.7830  219.2049  259.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7600  219.7357  258.9644 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6402  218.9396  259.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9708  217.8658  259.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0706  219.7523  259.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4189  220.8121  259.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8148  220.6155  258.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-179.98383656,192.54228086,218.96587934,259.72474189,-2.44011993,-0.31407848
-0.54592014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445697/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.84668

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.55332

>  <SCORE.INTRA.DIHEDRAL>
-1.3227e-06

>  <SCORE.INTRA.DIHEDRAL.0>
2.52032e-06

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.553319

>  <SCORE.INTRA.VDW.0>
0.268249

>  <SCORE.INTRA.norm>
-0.069165

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.730835

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  204.9955  210.3359  250.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8287  209.7750  251.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7202  209.1100  251.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7308  208.6014  253.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7682  208.0567  253.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9071  208.8475  253.9401 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9477  209.5355  253.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9606  210.0104  252.2202 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9682  209.6645  254.3295 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4907  209.0075  255.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2662  208.3926  255.1982 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2686  208.9878  256.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8496  208.4201  257.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4007  209.6997  256.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4285  208.8232  251.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2670  209.6954  251.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1841  209.1379  252.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2072  209.9577  252.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2947  211.3423  252.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3170  211.9048  251.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2869  211.0848  251.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5749  208.5007  255.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4774  210.0691  255.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-104.86686937,178.19018893,-0.93145748,-111.18870668,204.00101406,209.52100061
253.39453696,-2.56132837,-0.04498383,1.79512620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445698/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.33617

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.0638251

>  <SCORE.INTRA.DIHEDRAL>
-0.00125292

>  <SCORE.INTRA.DIHEDRAL.0>
1.50518

>  <SCORE.INTRA.POLAR>
-0.000342251

>  <SCORE.INTRA.POLAR.0>
-0.359715

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.062035

>  <SCORE.INTRA.VDW.0>
-1.12406

>  <SCORE.INTRA.norm>
-0.00303929

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.396961

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000352

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  218.5316  186.8828  243.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3145  186.9518  241.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8395  188.4072  240.9782 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.5090  188.4139  239.6985 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4207  188.6332  241.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6216  189.4937  241.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1463  188.1273  244.3614 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.4412  190.3838  241.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.3818  189.0980  243.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-73.23997355,37.65114642,-175.50279643,-178.89274736,218.93694138,188.21749611
242.04368211,1.47893369,1.19540576,1.84207552

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445699/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.59377

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-2.80623

>  <SCORE.INTRA.DIHEDRAL>
0.497208

>  <SCORE.INTRA.DIHEDRAL.0>
1.45077

>  <SCORE.INTRA.POLAR>
-0.942636

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.150131

>  <SCORE.INTRA.VDW.0>
-0.583193

>  <SCORE.INTRA.norm>
-0.40089

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.79911

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006383

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  221.3614  187.7129  240.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5264  186.5606  239.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8078  185.3430  240.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9260  185.2693  241.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7560  186.4230  242.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4615  187.6597  241.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3693  188.7788  242.7501 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1317  189.8116  242.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8332  191.2455  241.6220 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.0199  183.9299  239.3732 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
3.62670139,221.50856169,187.27996431,241.05783747,2.46629019,-1.37811879
1.21194275

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445700/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.81579

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.584208

>  <SCORE.INTRA.DIHEDRAL>
-2.01224

>  <SCORE.INTRA.DIHEDRAL.0>
2.0253

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.421912

>  <SCORE.INTRA.VDW.0>
0.139239

>  <SCORE.INTRA.norm>
-0.0584208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.581579

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000757

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  188.7050  220.1965  262.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2198  220.1313  261.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8355  221.2995  260.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6328  219.2175  260.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2803  218.0605  259.9871 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6385  217.1504  259.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3974  217.3969  258.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7698  216.3282  257.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6725  216.5289  257.3616 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4335  215.1153  257.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5939  214.9781  258.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2399  215.9160  259.0077 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2805  213.8184  258.1541 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7729  218.5626  258.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4082  219.4748  259.7010 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1644  215.7907  259.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.3285  213.3179  259.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.1894  213.8793  257.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4 15  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-101.88020491,-110.61595118,188.21228740,217.61323197,259.29316788,-1.36088298
0.47635778,-2.69947855

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445701/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.83038

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-2.56962

>  <SCORE.INTRA.DIHEDRAL>
-0.0219381

>  <SCORE.INTRA.DIHEDRAL.0>
0.981053

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.55865

>  <SCORE.INTRA.VDW.0>
1.93026

>  <SCORE.INTRA.norm>
-0.171308

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.322026

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000243

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  206.8280  198.0797  241.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0266  198.4138  241.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7855  199.3403  242.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7711  199.8155  243.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0939  199.2993  243.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3457  198.3217  242.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3187  197.8938  241.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6986  197.0627  240.6597 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0411  196.1023  240.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3786  195.1659  240.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7056  197.6679  242.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0736  199.6662  244.6279 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0705  200.1314  244.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1056  200.5502  243.8408 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3372  200.8321  244.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8462  201.2770  244.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4695  200.2105  246.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1495  202.1443  244.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-4.75530923,-126.48061843,-53.76707898,209.39615879,199.00668603,243.08042730
1.70969465,0.05090336,-2.37676605

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445702/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.35631

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-0.0436926

>  <SCORE.INTRA.DIHEDRAL>
-0.0810151

>  <SCORE.INTRA.DIHEDRAL.0>
9.11449

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00318508

>  <SCORE.INTRA.VDW.0>
1.21232

>  <SCORE.INTRA.norm>
-0.00242737

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.464239

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001193

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  267.9159  238.8070  206.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
  269.2743  238.6333  206.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  270.0341  239.7470  206.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
  269.5285  240.9987  207.0153 N   0  0  0  0  0  0  0  0  0  0  0  0
  268.1958  241.1752  206.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
  267.3678  240.0865  206.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
  267.7357  242.5842  207.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
  266.4774  243.1065  207.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  265.4101  242.0775  206.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  264.5246  241.2238  206.4338 N   0  0  0  0  0  0  0  0  0  0  0  0
  266.1428  244.5161  207.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
  264.8129  244.9616  207.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
  264.4896  246.2975  207.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
  265.4956  247.2016  207.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  266.8215  246.7855  207.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
  267.1419  245.4511  207.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
  265.0593  249.0036  208.1965 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  3  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-179.15389352,-179.56049342,266.43911376,244.45990594,207.37070292,1.21945882
0.12627324,-2.92870670

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445703/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.53619

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
7.56259

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.910998

>  <SCORE.INTRA.VDW.0>
-0.560661

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.266835

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000267

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  204.5068  202.9680  250.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8490  203.1358  249.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6202  202.0149  249.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0592  200.7354  249.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7098  200.5806  249.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9130  201.6914  250.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5649  201.4784  250.6096 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9859  202.5557  250.8380 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7197  202.5234  251.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0049  203.5964  251.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2631  205.0028  251.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3026  205.8581  251.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0079  205.3633  252.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7155  204.0529  252.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7435  203.0667  252.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6703  201.7813  252.1876 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8879  201.3349  251.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2306  200.1680  251.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5696  207.7054  251.9499 Br  0  0  0  0  0  0  0  0  0  0  0  0
  208.3097  202.2307  249.0902 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.7007  203.5983  249.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0798  201.1058  249.5683 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2156  202.0593  247.4255 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9072  201.1172  247.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6372  202.8000  247.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
10.61941287,3.04824568,178.12885098,-63.67662054,202.61746730,203.57303287
250.83381541,-0.41111487,0.31566793,0.03082181

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445704/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.27302

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-2.12698

>  <SCORE.INTRA.DIHEDRAL>
-4.52888

>  <SCORE.INTRA.DIHEDRAL.0>
5.80732

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.137458

>  <SCORE.INTRA.VDW.0>
-0.854726

>  <SCORE.INTRA.norm>
-0.0924774

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.316218

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000412

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  204.5450  204.6829  248.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3180  203.4572  247.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1909  202.8872  249.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9608  201.6586  248.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7608  201.1617  249.6218 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5060  200.0062  249.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3474  199.4975  250.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2740  200.4922  250.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7681  200.0864  251.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
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207.42311908,201.71142541,249.27316680,-2.72673419,0.67654385,-2.66968387

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
0.0850972

>  <SCORE.INTRA.POLAR>
0.0394459

>  <SCORE.INTRA.POLAR.0>
-0.0394459

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.357642

>  <SCORE.INTRA.VDW.0>
-0.393699

>  <SCORE.INTRA.norm>
-0.0329823

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.26702

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043215

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  210.9120  180.3580  248.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6982  179.6081  248.6666 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.5981  179.7565  250.2241 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6410  181.1959  250.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5759  182.0978  250.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6960  183.4178  250.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8796  183.8640  251.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9529  182.9975  251.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8242  181.6721  251.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0629  183.5654  252.2919 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8694  182.7264  253.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4623  181.6175  249.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2103  182.1388  250.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3606  179.1818  250.6720 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4980  180.0645  247.9431 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6432  179.7312  250.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1049  180.8747  248.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7811  179.3401  247.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  6  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
52.45159620,-89.02387537,70.40161106,-66.27866532,144.38232215,148.37411044
209.58127770,181.57659266,250.51005653,-2.26702420,-0.19068472,0.66698418

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445714/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.63768

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-7.76232

>  <SCORE.INTRA.DIHEDRAL>
0.800418

>  <SCORE.INTRA.DIHEDRAL.0>
4.40175

>  <SCORE.INTRA.POLAR>
-1.68753

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.42492

>  <SCORE.INTRA.VDW.0>
3.90329

>  <SCORE.INTRA.norm>
-0.517488

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.175845

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000175

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  219.2081  193.7294  238.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0462  194.1423  239.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3023  193.5477  239.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7516  192.5051  238.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8897  192.1247  237.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6389  192.7399  237.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2681  191.1092  236.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4532  190.4082  236.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2942  190.7388  237.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9830  191.8001  238.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9569  192.0479  239.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6239  192.0467  241.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3498  191.7439  241.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1822  192.0322  243.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0820  191.5238  243.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1542  190.7243  243.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2952  190.4595  241.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3909  190.9736  241.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8495  190.0230  244.1782 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.3769  192.4732  239.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1901  192.7192  240.5662 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7089  192.5913  238.3825 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.6259  192.8726  238.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
52.95339514,177.93219905,-168.99737364,179.59000264,221.85097218,191.79803940
240.33292793,0.96817466,-0.08270725,-1.34577477

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445715/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.965158

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-7.43484

>  <SCORE.INTRA.DIHEDRAL>
-14.9795

>  <SCORE.INTRA.DIHEDRAL.0>
25.3512

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0549226

>  <SCORE.INTRA.VDW.0>
-2.10377

>  <SCORE.INTRA.norm>
-0.337947

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.0438708

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.054816

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  194.7975  218.8653  246.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0105  219.0186  245.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3302  219.0040  246.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4871  219.1721  245.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8860  219.1786  246.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1286  217.8192  246.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2117  217.5713  248.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9913  218.8586  249.7225 As  0  0  1  0  0  0  0  0  0  0  0  0
  201.2939  219.8621  249.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5942  220.0518  249.6760 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1047  218.1716  251.4245 O   0  5  0  0  0  0  0  0  0  0  0  0
  200.3280  216.4355  245.8712 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.6814  220.4942  248.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  6  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  1  11  -1
M  END
>  <CHROM.1>
-179.66815295,179.97474206,64.12976452,-111.26732972,-69.36259332,-53.93000731
199.29323824,218.56091531,248.12141251,2.21984672,0.39135857,-1.98784020

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445717/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.56056

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-0.839441

>  <SCORE.INTRA.DIHEDRAL>
-0.603013

>  <SCORE.INTRA.DIHEDRAL.0>
2.04607

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.537934

>  <SCORE.INTRA.VDW.0>
-1.16167

>  <SCORE.INTRA.norm>
-0.0699534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.796713

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040645

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  203.9645  206.1683  248.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4340  205.3667  249.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5892  205.5727  249.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8370  204.3611  250.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9262  203.9551  251.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1203  204.7162  251.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1642  204.1433  252.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1393  202.7518  252.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1193  201.9425  252.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9028  202.4790  251.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9637  201.6276  251.4136 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6558  202.2296  251.1035 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.7213  203.5705  250.5383 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8397  204.1513  249.6424 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8279  202.1150  252.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4963  201.6707  252.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5915  201.7988  253.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0041  202.3458  254.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3631  202.5950  254.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2758  202.4756  253.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9709  202.6479  255.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9261  203.9597  255.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7539  204.9419  254.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8562  205.3363  253.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6986  206.2990  252.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4492  206.8648  252.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3461  206.4549  253.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4966  205.4960  254.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1933  206.8600  251.9633 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.5700  203.5793  248.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  1  0  0  0
 13 14  1  0  0  0  0
 14 30  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-134.97826742,-127.90779283,63.11300335,-80.26833742,203.78631872,204.39056952
252.30792109,0.02370373,0.46587498,-0.62830427

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445718/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.46174

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-2.93826

>  <SCORE.INTRA.DIHEDRAL>
1.21456

>  <SCORE.INTRA.DIHEDRAL.0>
3.1219

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.54554

>  <SCORE.INTRA.VDW.0>
-0.338244

>  <SCORE.INTRA.norm>
-0.101319

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.222819

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000124

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  200.6731  223.0324  261.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4220  223.3687  260.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3772  222.3654  260.8795 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0896  221.3217  260.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7793  220.9678  260.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4655  221.6822  261.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4368  222.5392  261.8277 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8920  220.3458  259.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5741  220.1017  259.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6763  219.7945  260.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9925  219.7731  261.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4347  219.5809  260.1063 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2897  219.1653  260.8547 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6588  220.3695  261.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4988  221.3828  260.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2110  221.3865  259.2926 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1848  220.5386  259.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5202  220.4820  258.1016 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.1775  222.1069  260.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7762  220.3182  262.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9058  219.2426  263.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5024  221.5479  263.5187 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1722  221.7822  264.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0772  223.1182  265.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1134  223.4425  266.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1255  222.4305  267.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9803  221.1040  267.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9954  220.7774  265.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2682  218.2979  260.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7176  218.5971  258.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4069  218.2097  258.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6654  217.5567  259.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3002  217.0841  260.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6289  217.3621  260.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3212  217.4234  259.2450 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4827  218.0383  260.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0023  220.8546  258.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6906  222.3798  262.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  6  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
-98.30480239,-170.96052975,-49.87517201,-24.24308755,173.43205146,-119.43414705
192.32636745,220.47719053,261.28291376,0.01181001,0.29173617,1.13453372

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445719/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.01403

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308108

>  <SCORE.INTRA>
-4.38597

>  <SCORE.INTRA.DIHEDRAL>
-3.87025

>  <SCORE.INTRA.DIHEDRAL.0>
11.3671

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.45084

>  <SCORE.INTRA.VDW.0>
-0.352054

>  <SCORE.INTRA.norm>
-0.11854

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.189568

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  206.5232  222.6793  250.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0658  222.5016  249.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7566  221.0786  249.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2771  220.9625  249.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9402  219.6306  248.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6321  219.4150  248.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1277  219.8735  247.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7852  219.7110  246.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9184  219.0644  247.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3988  218.5746  248.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7519  218.7328  249.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0791  218.2311  250.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2249  217.8040  251.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3839  218.3775  250.8781 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6895  217.9890  252.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2071  218.1557  252.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7322  219.5113  252.1741 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1992  219.5344  252.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5662  219.8262  253.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5095  220.8282  254.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3038  220.5181  253.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.54977435,-177.62172831,-178.71590360,73.86514278,170.10261894,175.69011760
178.12526272,56.32130271,-170.10747046,203.02653660,219.67861733,250.43909524
-0.39229594,-0.56432976,-1.00475799

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445720/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.9829

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.685714

>  <SCORE.INTRA>
-7.4171

>  <SCORE.INTRA.DIHEDRAL>
-9.94649

>  <SCORE.INTRA.DIHEDRAL.0>
14.87

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.195788

>  <SCORE.INTRA.REPUL.0>
0.195788

>  <SCORE.INTRA.VDW>
-1.46492

>  <SCORE.INTRA.VDW.0>
-0.162507

>  <SCORE.INTRA.norm>
-0.353195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.332519

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002509

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  201.2551  204.7735  245.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0340  204.0591  247.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9714  204.7153  247.9371 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6219  204.2029  249.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4193  204.6784  249.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9661  204.2767  250.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6969  203.3766  251.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8864  202.8625  251.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3416  203.2654  249.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3034  202.9692  253.0099 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2700  203.5128  253.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4928  204.3884  253.3952 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0770  202.8901  255.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3773  202.5166  255.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1759  201.5342  255.5335 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8405  200.6315  254.5711 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8553  199.9704  253.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8517  199.4551  254.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6917  199.9135  252.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4406  200.2019  251.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2603  200.1221  250.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3415  199.7420  249.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5826  199.4110  250.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7516  199.4926  251.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2236  199.6737  248.1986 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.9682  200.7250  247.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4680  198.5805  247.6701 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.6890  200.4532  249.8036 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.8134  203.3803  256.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8314  202.2013  253.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9047  200.2406  254.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
179.59571692,-167.11084832,-8.90316909,37.72789028,-72.60230691,152.94948898
45.61044356,-15.53800318,198.97270903,201.85494672,251.24783241,0.53151629
1.37040276,-0.51367218

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445721/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.58577

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-9.81423

>  <SCORE.INTRA.DIHEDRAL>
-6.23866

>  <SCORE.INTRA.DIHEDRAL.0>
10.7848

>  <SCORE.INTRA.POLAR>
-0.95269

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.45575

>  <SCORE.INTRA.VDW.0>
-0.819498

>  <SCORE.INTRA.norm>
-0.338422

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.123647

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  187.5251  199.7722  248.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7826  201.2332  248.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6433  201.6631  249.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9011  203.0290  249.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2750  203.9692  249.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4063  203.5432  248.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1712  202.1854  247.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7310  203.4382  251.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1877  202.6584  251.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7068  204.8157  251.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3463  205.3150  252.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2612  206.3464  252.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8105  206.9591  253.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4249  206.5552  254.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4907  205.5206  254.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9439  204.9156  253.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9607  205.1622  256.0874 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.9845  205.4971  257.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6847  203.6502  256.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6768  205.9643  256.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
-1.12652152,173.96734525,130.44100202,-28.18512068,189.49993656,204.10119965
252.17200039,2.26131118,-1.06256074,-1.44390691

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445730/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.72768

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-4.67232

>  <SCORE.INTRA.DIHEDRAL>
-9.82041

>  <SCORE.INTRA.DIHEDRAL.0>
14.0979

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.237881

>  <SCORE.INTRA.VDW.0>
2.99297

>  <SCORE.INTRA.norm>
-0.233616

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.236384

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000883

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  203.3335  190.0764  245.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0322  190.3187  246.1714 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1814  191.3059  247.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0526  190.7244  245.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6156  190.3598  245.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4353  188.8532  245.6879 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0656  188.4270  246.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6519  188.4434  245.6655 P   0  0  0  0  0  0  0  0  0  0  0  0
  197.9332  186.9546  245.8841 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4426  189.0366  247.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9660  188.0559  245.6444 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0051  188.7048  246.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2098  188.7564  247.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8459  187.5484  244.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
152.39622231,-60.80863698,72.68161421,-57.48308865,-178.80888863,-41.13562238
62.87961198,199.44421778,189.19117471,246.04667608,-0.44122616,-0.08692849
-2.88953194

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445731/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.02386

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-8.37614

>  <SCORE.INTRA.DIHEDRAL>
-6.22486

>  <SCORE.INTRA.DIHEDRAL.0>
9.25047

>  <SCORE.INTRA.POLAR>
-1.09654

>  <SCORE.INTRA.POLAR.0>
-0.0660397

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.53548

>  <SCORE.INTRA.VDW.0>
1.4743

>  <SCORE.INTRA.norm>
-0.761467

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.0930781

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023617

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 43  0  0  0  0  0  0  0  0999 V2000
  206.0453  197.6478  243.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1614  197.8640  244.7164 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0470  196.7187  245.0978 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.3181  196.8127  246.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7803  198.1539  247.0044 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3744  199.2696  246.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5550  199.1438  245.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1680  200.4539  244.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6278  200.4372  243.3897 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4473  201.6510  245.1314 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2267  201.6237  246.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7894  200.5096  246.6792 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5484  202.7578  246.8267 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5228  195.3042  244.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5063  194.2654  245.0927 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7875  194.3058  244.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0142  193.7292  243.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3003  193.6571  242.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3981  194.1254  243.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1880  194.7155  244.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8956  194.7922  245.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7555  193.9690  242.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9006  193.4423  241.7873 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8133  194.4182  243.6414 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2003  194.2831  243.1960 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.0532  195.4668  243.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4879  195.4777  243.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5149  195.6009  241.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8888  196.6199  241.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1809  194.4743  241.0249 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7199  192.9625  243.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2858  192.4670  244.8097 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6737  192.3595  243.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7216  198.2207  247.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0918  200.5482  247.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1441  203.5724  246.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5341  202.8865  247.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1193  193.3300  245.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.6658  194.7135  244.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2250  194.5447  240.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.9299  192.8380  242.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  1  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 40  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 41  1  0  0  0  0
M  END
>  <CHROM.1>
175.80971699,-3.49287177,-55.84145360,-86.45326951,0.10128846,146.96383090
-175.05894652,-27.48898980,62.34512370,109.23724430,-178.19147779,0.48558868
211.74108350,196.33952312,244.18551807,2.62177019,0.22036355,0.11795853

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445732/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.88341

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-6.51659

>  <SCORE.INTRA.DIHEDRAL>
-4.04835

>  <SCORE.INTRA.DIHEDRAL.0>
9.22868

>  <SCORE.INTRA.POLAR>
-0.748665

>  <SCORE.INTRA.POLAR.0>
-0.251335

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94695

>  <SCORE.INTRA.VDW.0>
-0.788948

>  <SCORE.INTRA.norm>
-0.197472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.269194

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013569

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  191.1160  216.0182  247.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3159  215.1387  248.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5401  214.0858  247.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5506  213.1540  247.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3574  213.2529  248.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1846  214.3656  249.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1698  215.2952  249.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2565  212.1113  249.1391 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7080  212.5446  248.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7456  211.5525  249.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5959  211.3332  250.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2114  210.7886  251.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0677  211.6694  250.6175 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.7794  211.0680  250.8621 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4158  211.9739  250.8872 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.6375  213.1691  251.6629 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8509  212.0215  249.5501 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3809  210.8947  251.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
107.69635618,-72.17320198,-45.36980713,193.85021186,212.70007419,249.76193197
-2.51961090,-0.22536874,2.36268796

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445733/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12429

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-1.27571

>  <SCORE.INTRA.DIHEDRAL>
0.26367

>  <SCORE.INTRA.DIHEDRAL.0>
1.62621

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.40754

>  <SCORE.INTRA.VDW.0>
-1.94591

>  <SCORE.INTRA.norm>
-0.0708725

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.395794

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001526

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  205.4434  195.0637  248.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9637  194.4819  249.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4454  194.7823  250.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9426  194.2647  251.9592 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0370  193.4130  251.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5566  192.9796  252.9979 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5321  193.0647  250.7486 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1134  193.5498  249.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6658  193.2353  248.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3707  194.6389  253.2442 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9433  195.9243  253.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8446  196.3336  254.7865 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5680  195.8749  254.0662 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.9550  194.8499  253.1219 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4594  195.3055  254.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9243  194.2622  255.7872 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1372  192.7604  254.9553 P   0  0  1  0  0  0  0  0  0  0  0  0
  204.6395  192.7782  255.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5137  191.9675  256.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3502  191.2586  254.1233 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0901  191.5503  252.5870 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.8621  190.1094  252.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7715  192.3796  252.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8300  191.8421  251.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0800  195.7210  256.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3223  192.4402  250.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7065  192.5367  257.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8948  193.3322  252.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0921  191.7858  250.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0219  194.7526  255.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  1  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <CHROM.1>
-85.28556485,-64.03331672,-52.77405109,-77.14933970,117.59150099,-27.05276743
-48.23791144,-170.73645056,94.45652117,-87.55401979,204.75840970,193.49576159
252.89620340,-0.51928103,0.94004208,0.61883673

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445734/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.341299

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-11.0587

>  <SCORE.INTRA.DIHEDRAL>
-0.711093

>  <SCORE.INTRA.DIHEDRAL.0>
10.0019

>  <SCORE.INTRA.POLAR>
-1.70364

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.91079

>  <SCORE.INTRA.VDW.0>
-1.49775

>  <SCORE.INTRA.norm>
-0.442348

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.0136519

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017077

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  197.4254  215.0033  259.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7948  216.3700  259.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3281  217.0459  257.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7593  218.3440  258.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6568  218.9247  259.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1228  218.2664  260.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6859  217.0038  260.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0668  220.2264  259.6191 N   0  3  0  0  0  0  0  0  0  0  0  0
  193.8513  220.3456  259.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8109  221.1114  260.0630 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.1331  219.4103  256.3839 I   0  0  0  0  0  0  0  0  0  0  0  0
  196.3531  216.6033  256.7009 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8223  215.3610  256.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <CHROM.1>
53.10348306,195.59368194,218.56330799,257.79842330,-0.00259393,1.16994873
-1.97434982

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445735/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.73544

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-1.66456

>  <SCORE.INTRA.DIHEDRAL>
3.06074

>  <SCORE.INTRA.DIHEDRAL.0>
0.00086291

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.19492

>  <SCORE.INTRA.VDW.0>
3.19704

>  <SCORE.INTRA.norm>
-0.128043

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.364265

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  202.0188  204.2786  255.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8159  205.1253  253.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1972  204.3498  252.6457 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0834  204.9600  251.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9137  204.4499  250.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9172  205.0105  249.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0512  206.0643  248.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2174  206.5849  249.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2244  206.0201  251.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1672  206.8614  247.2440 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.7507  205.8971  246.3364 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8703  207.4505  246.9484 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3461  208.0834  247.4545 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3523  208.6571  248.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1825  208.2877  249.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8623  209.0563  251.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8086  209.9387  250.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2375  209.8576  249.2092 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.1309  210.9082  251.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2175  210.2412  252.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7991  209.0613  253.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0519  209.3806  254.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3125  209.7139  253.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5730  208.8110  252.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2054  207.2465  249.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8746  206.8322  250.6212 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3598  206.7005  248.4320 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1208  208.7900  246.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2578  206.3714  248.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7346  207.0273  247.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.78725066,155.60364932,24.74633258,-33.05901669,96.11217525,-174.00859865
148.66268695,202.81604830,207.46015795,250.40473610,1.68823967,1.45711680
1.31298136

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445736/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.85109

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-9.54891

>  <SCORE.INTRA.DIHEDRAL>
-7.88825

>  <SCORE.INTRA.DIHEDRAL.0>
11.7675

>  <SCORE.INTRA.POLAR>
-0.834278

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.76824

>  <SCORE.INTRA.VDW.0>
-2.5099

>  <SCORE.INTRA.norm>
-0.353663

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.105596

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000064

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  185.7296  210.9655  256.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7848  211.9946  255.7174 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6501  211.5690  254.5224 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8223  212.5077  254.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0044  212.2058  254.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3880  213.7655  253.9634 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2389  210.2718  254.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2109  213.2868  255.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.9416  210.6015  255.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7688  211.5901  254.5598 P   0  0  0  0  0  0  0  0  0  0  0  0
  182.9578  212.1852  255.6536 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4766  212.6971  253.6558 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8907  210.7766  253.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1798  214.3281  253.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7384  210.0510  253.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.9218  213.8775  255.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.1300  213.1989  254.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.4471  210.0223  253.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  1  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <CHROM.1>
-53.13930633,-79.54816990,-171.52671008,-176.36250969,119.88996638,177.47740840
-179.51271436,-42.03552283,-62.27095757,65.64462859,185.98553633,211.86739325
254.69187514,-2.99451383,-0.00299518,-0.20142250

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445737/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.504114

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-9.89589

>  <SCORE.INTRA.DIHEDRAL>
-5.0524

>  <SCORE.INTRA.DIHEDRAL.0>
9.11281

>  <SCORE.INTRA.POLAR>
-1.4748

>  <SCORE.INTRA.POLAR.0>
-0.267287

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.35538

>  <SCORE.INTRA.VDW.0>
0.892837

>  <SCORE.INTRA.norm>
-0.761222

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.038778

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020763

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  198.9487  204.2956  248.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7745  204.2031  247.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2912  203.8701  245.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8380  203.0702  247.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9566  205.4306  247.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6347  206.6458  246.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7195  207.8868  246.6166 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5569  208.5431  248.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9527  207.6694  248.9529 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6657  207.2432  248.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6462  208.0681  248.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3920  207.5573  247.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1371  206.2033  248.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1254  205.3742  248.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3765  205.8874  249.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1962  204.9549  249.6097 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3180  205.0512  251.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2571  203.9869  251.6025 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.4299  204.0589  253.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8842  203.6950  253.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5195  204.3269  252.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5713  204.1745  251.0251 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2754  208.7882  245.6473 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5697  205.5594  248.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2741  208.3628  244.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
63.92326797,176.14637623,81.96665224,-61.44085391,62.71667809,-64.12193084
-39.38498927,76.28808017,-179.40051735,179.42735334,196.18770725,205.68495394
248.85828815,-1.22525001,0.46991723,-1.09186768

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445738/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.04829

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626087

>  <SCORE.INTRA>
-9.35171

>  <SCORE.INTRA.DIHEDRAL>
-2.04732

>  <SCORE.INTRA.DIHEDRAL.0>
10.4034

>  <SCORE.INTRA.POLAR>
-1.06383

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.71105

>  <SCORE.INTRA.VDW.0>
3.6992

>  <SCORE.INTRA.norm>
-0.406596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.219491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  200.4019  206.5333  251.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8350  207.8622  252.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8147  207.6159  253.4857 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0774  206.9330  253.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1647  205.7167  253.0673 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1184  207.6416  252.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1388  208.8729  254.1645 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7545  205.5765  252.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3995  204.3593  251.9842 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1451  203.3130  251.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4495  203.2444  252.4260 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6453  202.2012  251.1354 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1008  208.6061  252.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8197  208.7094  254.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2668  209.2955  254.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8554  204.0245  252.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0165  202.3916  252.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7036  202.2328  250.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2154  201.3513  251.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <CHROM.1>
57.32493694,-179.47362443,61.68727073,-94.56916867,-178.65901925,0.04106287
91.26855451,201.38178904,205.82425428,252.53759689,2.07714087,0.14264064
-2.90850601

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445739/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.70372

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-3.69628

>  <SCORE.INTRA.DIHEDRAL>
-0.658547

>  <SCORE.INTRA.DIHEDRAL.0>
3.28574

>  <SCORE.INTRA.POLAR>
-0.998186

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0268255

>  <SCORE.INTRA.VDW.0>
-1.20906

>  <SCORE.INTRA.norm>
-0.308023

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.641977

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.060502

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  214.8724  183.9409  248.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7218  183.0016  247.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4064  183.4303  248.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3408  182.5449  247.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6041  181.2258  247.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9136  180.7811  247.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9557  181.6779  247.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1330  179.4719  246.6994 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6259  178.3693  247.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4445  177.5377  246.7462 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0246  176.5453  247.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7974  176.3594  248.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9253  177.2391  249.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3383  178.2211  248.7071 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6037  177.1992  250.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9786  175.6383  246.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9251  182.9992  248.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4442  179.3924  245.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-106.30566289,-142.54875145,213.45600210,179.76272413,247.91811154,-2.00026094
-0.55265512,2.85447957

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445740/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.99936

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.400645

>  <SCORE.INTRA.DIHEDRAL>
0.00713787

>  <SCORE.INTRA.DIHEDRAL.0>
0.934269

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.404214

>  <SCORE.INTRA.VDW.0>
-0.71391

>  <SCORE.INTRA.norm>
-0.0235673

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.411727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  202.1156  232.3676  241.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8548  230.9310  241.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1045  230.3426  242.0231 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0538  229.0364  242.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2704  228.3581  242.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3349  227.0102  242.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1872  226.3314  243.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9698  227.0199  243.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9060  228.3689  242.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3124  224.9197  243.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3088  224.1374  244.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6351  222.7562  244.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7951  222.3506  244.4221 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5320  222.0290  244.8612 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5669  220.7003  245.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3517  220.0558  245.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3347  218.7098  245.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5362  218.0104  246.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7548  218.6623  245.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7620  220.0036  245.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4985  216.2940  246.5829 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.1976  215.7687  246.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7133  215.6830  246.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5185  216.3681  248.2745 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5262  217.1119  248.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2601  216.7011  248.9593 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5747  217.7085  249.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4242  218.7401  249.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6793  218.4114  249.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8474  219.9339  250.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6162  222.4259  244.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4593  216.6750  248.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.88868602,161.96229335,-179.94708849,-0.64726864,-174.72001026,22.90435753
55.80272425,72.14475057,201.70003150,221.86243987,245.47644988,1.31924900
0.83671925,-0.24534579

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445741/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.69938

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-4.70062

>  <SCORE.INTRA.DIHEDRAL>
-8.90853

>  <SCORE.INTRA.DIHEDRAL.0>
11.2562

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.246353

>  <SCORE.INTRA.VDW.0>
-1.05019

>  <SCORE.INTRA.norm>
-0.156687

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.289979

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  194.2948  220.6559  262.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1636  221.6783  262.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4264  222.7551  261.1238 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9514  224.1093  261.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8447  225.2626  261.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8305  225.4618  259.2485 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.4408  222.4687  259.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6605  222.3156  259.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7132  222.0185  257.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5354  221.8676  256.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3132  222.0141  257.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2690  222.3113  258.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-145.16696627,145.54521586,-100.97101632,68.40263763,193.57748239,223.06939764
259.76908222,1.27123103,1.54497763,1.93269760

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445742/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.79316

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.60684

>  <SCORE.INTRA.DIHEDRAL>
0.147095

>  <SCORE.INTRA.DIHEDRAL.0>
2.15158

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.68039

>  <SCORE.INTRA.VDW.0>
0.114558

>  <SCORE.INTRA.norm>
-0.133904

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.64943

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019987

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  215.4617  184.2795  244.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1283  185.6184  244.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1657  186.1990  246.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6753  186.1625  243.8143 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3387  187.3910  243.6753 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.6041  187.3901  244.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3266  188.7343  244.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4454  189.8354  245.0062 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2240  189.9292  244.1555 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4369  188.5638  244.1989 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0297  188.5663  243.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2131  189.7868  243.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0036  191.0729  243.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2751  191.0735  244.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2437  191.0780  244.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7782  187.5322  242.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4378  186.4476  241.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9024  186.5460  240.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7106  187.7123  239.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0453  188.7814  240.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5850  188.6977  241.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-179.77900847,60.96975453,-48.20577591,217.16720818,188.16036058,243.47387347
0.71222524,-1.01671953,-2.95052237

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445743/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.2937

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.106299

>  <SCORE.INTRA.DIHEDRAL>
0.030279

>  <SCORE.INTRA.DIHEDRAL.0>
0.74698

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.121439

>  <SCORE.INTRA.VDW.0>
-1.90938

>  <SCORE.INTRA.norm>
-0.00506186

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.394938

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002902

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 65 67  0  0  0  0  0  0  0  0999 V2000
  193.3816  212.7753  250.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0251  211.8004  251.4783 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1012  210.6647  251.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7246  209.7262  252.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3056  210.1046  253.2494 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9054  208.0145  251.7740 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.5978  207.3068  252.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2562  207.3165  252.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9237  208.6248  251.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.4002  209.6293  252.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1316  209.4701  253.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1907  210.9426  251.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2831  212.1223  252.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5791  212.2191  253.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2356  213.4320  253.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7196  214.4998  252.9835 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6901  213.3852  253.8002 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3019  214.7832  254.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3706  215.6400  252.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4885  215.5504  255.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7316  214.5653  254.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4759  213.6619  253.8401 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1327  213.6056  254.3346 P   0  0  1  0  0  0  0  0  0  0  0  0
  195.8404  212.3902  255.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5260  212.9924  252.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7896  213.5493  254.8291 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5503  215.0610  254.4700 P   0  0  1  0  0  0  0  0  0  0  0  0
  199.7889  214.6350  255.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9013  214.5523  252.9512 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3110  216.5728  254.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5040  217.4668  253.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2851  218.0288  254.1116 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1941  218.8519  253.4011 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.1216  218.8880  254.4926 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2705  217.4838  255.1281 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6022  216.9964  254.8492 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0323  217.3949  256.5521 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9697  216.7730  257.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9830  216.9286  258.4616 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1133  217.6795  258.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6552  218.2199  259.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8213  218.9019  259.8192 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3891  219.0702  258.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9454  218.6381  257.4085 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8044  217.9362  257.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0516  218.0961  261.1369 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3655  220.0158  255.3388 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6320  218.2517  252.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6623  219.1754  251.3547 P   0  0  0  0  0  0  0  0  0  0  0  0
  194.0623  218.5384  250.1512 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5887  219.7421  252.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4948  220.4878  251.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7191  212.5759  254.9802 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2165  211.2936  252.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0807  208.7896  250.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.1061  211.3697  253.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3407  213.4355  252.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6973  215.0592  252.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2014  217.1980  261.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1320  218.9330  261.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1489  219.8439  255.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0019  220.3952  251.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8697  220.8929  251.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4491  211.6771  254.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6791  212.0438  252.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 54  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 55  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  1  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  1  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  1  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 48  1  6  0  0  0
 34 35  1  0  0  0  0
 34 47  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  1  1  0  0  0
 37 45  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 45  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 46  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 46 59  1  0  0  0  0
 46 60  1  0  0  0  0
 47 61  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
 51 62  1  0  0  0  0
 52 63  1  0  0  0  0
 53 64  1  0  0  0  0
 54 65  1  0  0  0  0
M  END
>  <CHROM.1>
-178.38206116,64.57915609,49.28132380,-150.05407705,86.84651442,-51.52704225
-79.59651552,-152.25942581,60.51915661,132.80434447,-169.27095980,-62.12317441
63.00406037,48.28285974,171.85558626,94.27161129,137.44600180,-77.12328593
170.63078116,-153.07560717,-117.08527052,68.31251188,-171.19266156,-170.78352620
-72.78446296,110.70478936,79.40120839,-179.32664187,173.99321409,-51.98620479
194.10282519,214.69221137,254.00509473,2.75154235,0.90208745,2.44454486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445744/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.92753

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525926

>  <SCORE.INTRA>
-25.4725

>  <SCORE.INTRA.DIHEDRAL>
-2.60286

>  <SCORE.INTRA.DIHEDRAL.0>
26.0861

>  <SCORE.INTRA.POLAR>
-4.33508

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
-0.10711

>  <SCORE.INTRA.REPUL.0>
0.10711

>  <SCORE.INTRA.VDW>
-8.8962

>  <SCORE.INTRA.VDW.0>
-4.29092

>  <SCORE.INTRA.norm>
-0.471712

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
0.0542135

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.435191

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 48  0  0  0  0  0  0  0  0999 V2000
  212.5784  194.4324  248.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0955  194.7381  248.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6971  196.1618  248.1448 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1662  196.4396  248.0059 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7757  197.7497  247.3004 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.2852  197.5531  247.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0667  196.0418  246.9801 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.3410  195.4348  247.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8247  195.7487  245.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7197  194.2846  245.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8254  195.5172  247.8126 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9208  195.5134  249.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5649  196.8455  249.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2666  197.4515  249.4263 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.2369  197.3988  247.8740 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5606  196.0784  247.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8803  197.7819  247.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0231  198.8589  250.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0407  199.9319  249.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1862  196.6298  249.9123 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3445  198.0624  245.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3749  197.1711  249.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1695  197.9945  248.6321 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9648  197.2816  250.5904 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1954  195.9934  251.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6895  198.4480  251.2950 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3542  198.7969  252.7754 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2440  199.9168  253.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8637  199.2067  252.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9092  197.9979  252.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4188  198.2227  253.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4765  197.1702  252.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0941  197.4322  252.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6204  198.7199  253.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5514  199.7503  253.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9193  199.5061  253.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1620  199.0379  253.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1447  196.4484  252.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8586  195.7420  252.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9237  195.4744  252.0482 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0313  194.8051  253.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1239  198.2312  251.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2413  196.6375  250.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5874  195.5721  252.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3341  193.8915  252.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3929  198.2483  250.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3 22  1  0  0  0  0
  4  3  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  1  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 18 19  1  0  0  0  0
 20 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  1  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 39  1  0  0  0  0
 33 34  2  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
 38 44  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 45  1  0  0  0  0
 42 46  1  0  0  0  0
M  END
>  <CHROM.1>
169.28870287,-167.20358102,118.62091304,174.23341822,-68.26789492,65.06321413
57.50411608,61.60609643,175.97643198,175.92741691,63.61856106,75.04249386
-177.50989024,173.35774686,-26.74023810,13.10993863,-177.41539841,207.63575659
197.15455717,250.07232830,0.02671315,0.00519109,-1.92344444

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445745/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.18332

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438095

>  <SCORE.INTRA>
-15.2167

>  <SCORE.INTRA.DIHEDRAL>
-10.7234

>  <SCORE.INTRA.DIHEDRAL.0>
19.6435

>  <SCORE.INTRA.POLAR>
-1.87565

>  <SCORE.INTRA.POLAR.0>
-0.0057453

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.4778

>  <SCORE.INTRA.VDW.0>
-0.103342

>  <SCORE.INTRA.norm>
-0.362302

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.0757934

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024233

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 33  0  0  0  0  0  0  0  0999 V2000
  194.2837  209.6839  260.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2654  209.2239  261.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2564  210.0940  261.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2364  211.4535  261.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2678  211.8871  260.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2843  211.0140  259.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0729  212.4476  261.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5784  212.0808  262.9681 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7847  212.1253  263.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5842  213.1982  263.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4522  214.1022  262.8077 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7118  213.8788  261.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6839  214.7562  260.7947 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5423  211.3252  265.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1211  210.3008  265.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4279  211.9366  265.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4391  211.8390  267.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6629  212.7270  267.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8728  213.6667  267.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8105  213.7053  265.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5889  212.8223  265.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6075  212.9621  263.6514 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9111  212.3831  260.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8617  213.3121  260.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8484  213.2783  259.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8456  212.3003  258.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8574  211.3516  258.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8715  211.3911  259.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9067  215.0083  262.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8 22  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
34.23197276,-168.72017230,190.93131484,212.20970083,262.54465912,-1.38961048
-0.48944679,1.51272853

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445762/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35723

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.264286

>  <SCORE.INTRA>
-0.0427738

>  <SCORE.INTRA.DIHEDRAL>
0.00659927

>  <SCORE.INTRA.DIHEDRAL.0>
1.46678

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0460734

>  <SCORE.INTRA.VDW.0>
-2.34113

>  <SCORE.INTRA.norm>
-0.00152764

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.262758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000980

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  206.7820  197.9274  244.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6310  197.3294  244.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6608  197.1380  242.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5668  196.2257  242.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6114  196.0350  241.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7206  196.7587  240.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7755  197.6394  240.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7259  197.8305  242.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7400  198.6652  242.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9069  198.3231  243.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9988  198.2294  239.8259 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7562  199.6290  239.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6391  195.1060  240.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6475  194.9663  239.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4557  194.4529  241.3189 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3397  193.6224  240.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6334  193.1704  239.5769 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3260  191.7609  239.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6489  191.1500  240.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0420  192.4374  242.0586 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.3922  189.8153  241.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6338  189.1277  240.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1652  189.7730  238.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5423  191.0918  238.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2474  187.7355  240.4120 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.7525  187.1673  241.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4375  187.2075  239.6326 O   0  5  0  0  0  0  0  0  0  0  0  0
  211.0831  193.2513  239.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6972  194.6573  239.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8859  194.9394  239.0937 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6945  195.5768  238.9029 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1035  196.9545  238.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
66.34247018,-179.95411882,-133.97406253,-45.60351799,178.64667544,-62.68349950
157.72785560,179.33338523,207.85630565,194.21486011,240.82071316,2.13206773
0.45516387,-0.03205509

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445763/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49098

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-6.90902

>  <SCORE.INTRA.DIHEDRAL>
-0.288268

>  <SCORE.INTRA.DIHEDRAL.0>
10.5659

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.76488

>  <SCORE.INTRA.VDW.0>
7.16555

>  <SCORE.INTRA.norm>
-0.215907

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.202843

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  202.3807  192.5342  238.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7673  193.4245  239.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5981  193.0760  240.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0668  191.8460  241.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7323  190.9659  240.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8637  191.3165  238.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3272  189.7564  240.6127 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3238  189.8095  241.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2067  190.3056  242.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0300  190.8706  243.5616 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.5220  191.3560  242.6654 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4269  191.9785  244.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0640  193.1642  244.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4621  194.1354  245.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2274  193.9386  246.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5851  192.7869  246.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1897  191.8123  245.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7425  195.1245  247.5330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.3944  193.5071  242.4541 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.6124  189.2438  241.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6470  188.9502  242.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8156  188.4880  241.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6307  188.4133  240.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0493  188.8703  239.6639 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.6385  189.2052  239.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-166.06825497,59.90905510,204.03462692,191.66601203,242.53718204,1.43813990
0.63356716,-2.08771545

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445764/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.48724

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-4.91276

>  <SCORE.INTRA.DIHEDRAL>
-10.7372

>  <SCORE.INTRA.DIHEDRAL.0>
12.0813

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.455831

>  <SCORE.INTRA.VDW.0>
-2.41396

>  <SCORE.INTRA.norm>
-0.204698

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.103635

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  206.6805  210.4111  253.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2593  209.3024  254.6359 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6866  209.0790  254.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4018  208.5313  255.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3880  207.2336  255.5155 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1757  205.8356  254.6739 P   0  3  0  0  0  0  0  0  0  0  0  0
  208.4400  205.5827  255.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1004  204.3283  254.8533 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0074  203.0620  254.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0704  202.3874  253.6148 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3651  203.0009  253.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0496  200.9876  253.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7013  202.4186  254.6973 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7020  203.1143  255.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1570  201.1523  254.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5547  206.1490  252.8665 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8516  206.7566  251.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4801  207.1886  252.0954 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8496  208.3801  251.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5510  206.3699  252.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5321  207.0229  250.5956 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9447  206.7504  250.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8885  207.5604  249.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5063  209.2232  256.3828 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8571  210.5090  256.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2639  208.6224  256.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  1   6   1
M  END
>  <CHROM.1>
85.01823138,172.47646923,-41.44040866,206.35873342,206.20147431,253.80881976
-1.39225397,-1.13467472,-2.89002219

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445765/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.47445

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-0.925553

>  <SCORE.INTRA.DIHEDRAL>
0.753153

>  <SCORE.INTRA.DIHEDRAL.0>
0.0809333

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.30213

>  <SCORE.INTRA.VDW.0>
-2.17341

>  <SCORE.INTRA.norm>
-0.0370221

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.298978

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.032939

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 44  0  0  0  0  0  0  0  0999 V2000
  205.2169  201.1375  252.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1656  199.9889  252.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9277  199.4430  253.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7382  200.0013  252.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7659  201.1284  252.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0322  201.7005  251.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5157  201.5925  251.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3522  201.0451  252.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4460  199.9794  252.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6062  199.4291  253.2989 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4412  202.6446  250.5325 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0596  203.9619  251.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1572  205.0921  250.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9780  205.2429  249.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9637  204.2208  247.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5715  202.9309  248.4193 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4205  201.9818  247.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7533  202.2624  246.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5768  201.2705  245.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0657  199.9929  245.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7866  199.7157  246.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9777  200.6986  247.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7187  200.3641  248.8344 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1132  200.1009  249.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1987  200.9537  248.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1378  202.1673  247.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2650  202.9387  247.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5323  202.5089  248.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6184  201.2920  248.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5065  200.5064  248.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7791  199.3122  249.4388 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7838  198.5451  249.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1665  197.3225  250.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3848  196.6445  251.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0423  196.9639  251.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5492  198.0109  250.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4306  198.9009  249.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8484  202.3589  249.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1709  199.7308  249.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 37  1  0  0  0  0
 24 25  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-102.24243910,172.93835362,81.79841129,-77.58314183,74.16231557,174.63699444
-43.57540415,-109.14279423,50.04581626,202.06333681,200.91478652,249.75090274
-0.41272215,-0.89167206,0.13621904

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445766/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.469625

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389189

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
5.60756

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-1.43839

>  <SCORE.INTRA.norm>
-0.376497

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.0126926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004893

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  203.7376  202.6493  244.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8183  203.2928  243.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4366  203.5527  243.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4538  204.2250  242.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8262  205.5546  242.4275 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0222  205.8797  241.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6333  206.8876  240.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9253  206.3997  239.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4888  207.4546  238.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6516  206.5902  243.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6145  207.7878  243.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0703  207.3780  243.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5380  206.5752  242.4864 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6479  207.1677  241.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8240  205.8871  242.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
179.03219113,-59.90462758,162.73200323,-155.84669621,148.78688756,63.74528484
-178.74103809,-63.71260289,68.12906992,71.44154221,201.81583913,205.71143106
242.27495949,-1.29260514,-0.94851631,-0.60974764

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445767/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.0534

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.18462

>  <SCORE.INTRA>
-4.34655

>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.413888

>  <SCORE.INTRA.norm>
-0.33435

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.850265

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018533

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  194.1401  218.5872  260.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6444  218.4513  258.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3582  217.0500  258.3514 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2870  216.8313  256.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1613  215.3768  256.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3113  214.5660  256.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2209  213.2115  256.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9872  212.6548  255.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8546  213.4721  255.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9439  214.8247  256.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2753  216.4142  258.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4973  215.2305  259.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4804  214.6304  260.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1998  215.1939  260.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9443  216.3229  259.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9568  216.9138  258.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1603  214.6168  261.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8312  214.8838  261.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3516  215.8050  260.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9538  216.5692  259.3455 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8824  214.2794  262.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2902  213.5350  263.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5548  214.6075  262.2167 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5368  214.0221  263.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9973  212.7085  262.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0667  211.7633  262.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6091  210.5205  261.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2009  215.1102  261.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  3  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <CHROM.1>
-162.03667722,173.00955886,-120.72690095,-81.37415853,-164.83698658,0.61134374
-88.47378550,60.97806443,179.91819570,189.88161450,214.89562028,259.67671978
-0.07599545,0.60894952,0.60650735

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445768/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85114

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-7.54886

>  <SCORE.INTRA.DIHEDRAL>
-13.0687

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.01449

>  <SCORE.INTRA.VDW.0>
-0.726204

>  <SCORE.INTRA.norm>
-0.279587

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.253746

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008605

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  199.7308  190.2323  248.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7437  191.4115  248.0792 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6509  191.4650  249.1815 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0006  192.3770  250.3840 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0453  192.1295  251.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7075  192.4455  251.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3327  192.1928  250.8763 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4021  191.8919  248.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5071  192.6208  248.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5923  190.4009  249.4095 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9743  190.4746  249.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5950  191.6686  249.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0953  191.6633  249.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7034  192.6923  250.0437 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7275  190.4688  249.5916 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0897  189.2867  249.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6966  188.2264  249.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7315  189.3419  249.3485 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9575  192.9065  249.7012 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1524  192.2762  251.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4911  192.8295  251.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7704  192.0000  249.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1027  192.5900  247.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1358  190.8314  250.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7284  190.4471  249.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2790  188.4540  249.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9503  192.8309  249.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2435  193.3757  250.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  6  0  0  0
  4  5  1  1  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
>  <CHROM.1>
-69.29215202,-119.98189055,93.63723189,61.83229644,-166.78302697,-174.30306760
-61.92544358,176.93595713,-179.50402831,102.43060091,-2.90832138,200.66118247
191.30034539,249.58655065,2.89621574,-0.05834798,0.48208105

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445769/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.37178

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-10.0282

>  <SCORE.INTRA.DIHEDRAL>
2.65098

>  <SCORE.INTRA.DIHEDRAL.0>
4.61116

>  <SCORE.INTRA.POLAR>
-2.80506

>  <SCORE.INTRA.POLAR.0>
-0.447061

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.81651

>  <SCORE.INTRA.VDW.0>
-0.70164

>  <SCORE.INTRA.norm>
-0.527801

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.124831

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003254

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  195.2535  205.5268  241.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5926  206.6445  242.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4664  206.4820  243.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9940  205.1973  243.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6729  204.0816  242.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7973  204.2469  242.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8658  205.0176  244.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0813  205.3690  245.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0197  205.5687  246.5098 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1264  206.6475  247.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0316  207.6284  247.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0959  207.3814  246.3149 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3602  206.0619  246.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5182  205.5896  246.5797 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0181  206.7956  247.3575 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.3185  207.9106  246.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8326  208.8091  245.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4995  207.1942  247.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3511  207.3435  246.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3612  208.3360  246.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1102  208.6142  245.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8544  207.8974  243.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8659  206.9156  243.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1133  206.6368  244.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5508  208.1366  242.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5101  206.7962  248.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1858  206.8060  248.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3023  207.8999  249.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4083  208.0778  250.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3997  207.1437  250.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2797  206.0400  249.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1735  205.8651  248.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5050  207.2731  251.6473 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1905  208.8414  242.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9292  206.0182  249.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.7086  208.0870  252.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  6  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <CHROM.1>
-66.93089264,161.45903967,179.59913887,50.26572400,66.33694212,146.06398010
0.09574034,0.77925115,193.67213579,206.75322016,246.18251195,0.54114988,-0.32552301
-2.02506885

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445778/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.76951

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-7.63049

>  <SCORE.INTRA.DIHEDRAL>
-13.2399

>  <SCORE.INTRA.DIHEDRAL.0>
15.5782

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.01051

>  <SCORE.INTRA.VDW.0>
-1.82917

>  <SCORE.INTRA.norm>
-0.231227

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0839247

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047580

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  188.5428  210.7542  249.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9813  210.9654  250.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8876  210.5407  251.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2845  211.3865  252.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9404  210.9617  254.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0741  211.3420  255.3038 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.8593  211.3152  256.6174 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.7741  211.4907  257.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5346  210.7987  257.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8469  210.4624  255.6366 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.1031  209.0578  255.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9970  208.4948  254.7723 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.9427  209.6062  254.7784 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.7313  210.8082  254.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.9381  209.6946  253.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7889  208.8777  253.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8923  208.8829  252.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1269  209.6921  251.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2507  210.5196  251.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1524  210.5210  252.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5311  208.0224  253.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6721  207.8112  252.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1553  207.4748  251.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5118  207.2528  250.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3816  207.3824  251.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8999  207.7901  253.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6339  210.0103  256.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4932  210.0945  258.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2061  210.1643  259.0524 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  1  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  3  0  0  0  0
M  END
>  <CHROM.1>
122.44114056,-117.09680884,-162.98700045,174.70144586,-160.39013892,81.59031553
187.68627996,209.75591854,253.92120116,-2.27477992,-0.00220757,1.34194243

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445779/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.99524

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-2.40476

>  <SCORE.INTRA.DIHEDRAL>
0.619722

>  <SCORE.INTRA.DIHEDRAL.0>
1.97405

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.71462

>  <SCORE.INTRA.VDW.0>
-3.06372

>  <SCORE.INTRA.norm>
-0.0829228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.310181

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006556

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  209.6969  184.1454  250.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3816  184.3398  248.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3572  185.5056  248.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6513  186.7426  248.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4052  187.8534  249.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6184  187.9458  248.9238 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5150  189.1096  249.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0027  190.2182  249.3541 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1738  188.7808  249.2645 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5960  187.9605  250.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7823  187.7687  251.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8626  186.8440  252.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1632  186.2869  250.9247 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5501  186.9743  249.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1934  186.8514  248.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3546  185.1321  250.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6818  184.7478  252.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8801  183.6025  252.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7464  182.8163  251.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3900  183.1909  249.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1821  184.3445  249.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0408  186.1026  253.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7432  188.4848  252.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6649  188.8727  248.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-66.19234408,176.92987659,4.61555153,178.39767920,58.96676276,38.34870964
28.71728435,208.56544400,186.38191351,250.26354518,-2.74571091,0.60780797
0.52431307

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445780/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.49761

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-6.90239

>  <SCORE.INTRA.DIHEDRAL>
-11.4351

>  <SCORE.INTRA.DIHEDRAL.0>
14.8168

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.18486

>  <SCORE.INTRA.VDW.0>
-1.10747

>  <SCORE.INTRA.norm>
-0.300104

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.239026

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002130

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  176.0068  227.0478  251.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.7189  228.0026  252.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.0093  228.0245  253.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.5351  228.8180  254.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.0331  230.0895  255.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.7051  230.9158  255.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8834  230.4791  256.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3814  229.2082  256.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6946  228.3561  255.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2752  227.0858  255.0989 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.5389  225.9235  254.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.3154  225.8888  255.0775 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.3247  224.6431  254.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.7969  223.4479  255.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4739  222.2691  254.8259 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.5440  222.1956  253.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1417  220.7423  253.4688 S   0  0  0  0  0  0  0  0  0  0  0  0
  180.0723  223.3700  253.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.7371  224.6445  254.2035 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.1543  225.7151  253.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1652  226.6350  253.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4349  227.7062  252.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7097  227.8550  251.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7226  226.9353  251.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4384  225.8740  252.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0085  229.2044  250.4734 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  176.5407  223.1801  255.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.2613  227.0235  255.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
  178.0509  221.3858  255.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.8955  223.3094  253.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  6  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
178.47466322,101.12172473,-42.65460721,153.67564930,116.54903355,178.62874295
226.31104910,253.74771635,1.84710017,0.76588830,-0.20679855

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445781/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07358

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-2.32642

>  <SCORE.INTRA.DIHEDRAL>
0.0412076

>  <SCORE.INTRA.DIHEDRAL.0>
10.6671

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.34702

>  <SCORE.INTRA.VDW.0>
-1.6294

>  <SCORE.INTRA.norm>
-0.0861637

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.299021

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  190.8068  196.2355  259.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7323  197.1005  259.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3816  198.0407  258.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5431  198.8980  257.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3307  198.9105  257.6346 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2887  199.7430  256.7133 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7737  200.8324  256.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5839  201.0193  255.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7832  201.8000  255.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3606  202.8753  254.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2330  203.8123  254.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5874  203.7746  254.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4244  204.5418  254.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9955  202.7405  255.4165 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2404  201.6362  255.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7328  200.5623  256.0312 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7045  204.8039  253.3769 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.1834  204.7137  251.8843 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8936  206.0480  251.7191 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.0815  206.9196  252.6427 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.9872  206.1522  253.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7551  208.2749  252.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9044  208.8032  251.3903 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5662  207.9186  250.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9411  206.6175  250.4219 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4147  208.5428  249.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0697  207.8191  250.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0332  203.6048  251.5816 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2910  199.6611  256.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9946  202.6386  255.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5268  202.7922  251.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 17 11  1  1  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  1  0  0  0
 19 25  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87941291,1.10485576,178.18716095,-112.61391369,60.70774592,191.31145542
203.30225039,254.31433181,-1.76259266,0.02218376,-0.63930775

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445782/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.41183

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-3.98817

>  <SCORE.INTRA.DIHEDRAL>
-6.45693

>  <SCORE.INTRA.DIHEDRAL.0>
9.0186

>  <SCORE.INTRA.POLAR>
0.0146573

>  <SCORE.INTRA.POLAR.0>
-0.0146573

>  <SCORE.INTRA.REPUL>
-0.000867915

>  <SCORE.INTRA.REPUL.0>
0.000867915

>  <SCORE.INTRA.VDW>
-0.805203

>  <SCORE.INTRA.VDW.0>
-0.267711

>  <SCORE.INTRA.norm>
-0.142435

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.193279

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003894

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  197.7859  218.5549  258.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3327  218.2956  259.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0694  218.6014  260.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6066  218.3528  261.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3476  218.6627  262.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8871  218.4130  262.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6003  218.7185  264.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2143  218.4688  264.6287 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8408  218.7034  265.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7264  218.5684  266.3883 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
179.55381896,-179.89057529,179.96822185,-179.84584890,179.93383619,179.81458450
179.82300080,193.60288563,218.53249007,262.67520907,-0.76350562,0.22306058
1.32351529

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445783/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.127

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.24

>  <SCORE.INTRA>
-2.27297

>  <SCORE.INTRA.DIHEDRAL>
-1.85319

>  <SCORE.INTRA.DIHEDRAL.0>
1.85459

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.34637

>  <SCORE.INTRA.VDW.0>
0.416645

>  <SCORE.INTRA.norm>
-0.227297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.0127

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040442

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  208.5910  219.6013  258.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1074  218.5963  259.9771 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.1105  217.2770  259.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9577  217.0053  258.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7075  215.6666  258.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5284  215.3110  257.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6034  216.2934  257.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8638  217.6357  257.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0483  217.9924  258.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2372  219.3289  258.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2987  218.6158  261.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2883  219.9705  261.8481 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1844  220.6325  261.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0168  220.2697  261.2115 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1074  221.8677  262.3180 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0779  220.0092  260.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4635  219.6096  261.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1985  222.5876  261.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3355  222.0295  262.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  1  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
-55.93718672,107.66275765,-55.79852891,100.19783382,207.44759920,218.49071090
259.63198163,-1.47484260,0.34951517,-2.46060390

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445784/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.89071

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-5.50929

>  <SCORE.INTRA.DIHEDRAL>
-2.10272

>  <SCORE.INTRA.DIHEDRAL.0>
3.38943

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.05793

>  <SCORE.INTRA.VDW.0>
-0.34191

>  <SCORE.INTRA.norm>
-0.367286

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.25938

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000641

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  200.2829  201.9102  247.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8378  200.5080  247.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4220  199.7517  246.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8452  200.0087  248.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2590  200.1008  250.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1925  198.5274  248.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2659  197.8737  249.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5931  196.4625  248.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2617  195.4535  249.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3384  196.4947  247.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7470  195.2262  247.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5392  195.4690  246.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1760  195.0341  244.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1319  200.8740  248.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6629  201.1188  247.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1230  199.8170  246.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2226  199.3130  246.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1497  199.3315  245.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4533  198.0946  245.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2381  197.6626  244.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5596  196.5353  244.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
57.56567550,175.71984427,-45.40312522,-177.41324150,-107.73675718,179.07818203
179.45765686,-117.83456148,-65.38002599,-83.65647962,-179.90352029,175.45254414
-117.18778963,203.01325477,198.35803391,247.34404557,2.90673261,-1.04234870
1.66181996

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445785/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.74849

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.87619

>  <SCORE.INTRA>
-12.6515

>  <SCORE.INTRA.DIHEDRAL>
-15.2227

>  <SCORE.INTRA.DIHEDRAL.0>
19.7576

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.04017

>  <SCORE.INTRA.VDW.0>
5.60601

>  <SCORE.INTRA.norm>
-0.602453

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.273738

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007821

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  207.2314  186.9525  250.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4998  188.2444  250.1703 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.5073  189.6372  249.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8954  190.4310  250.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0591  191.4879  250.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8262  191.7504  248.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4347  190.9656  247.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2723  189.9095  248.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
89.28538809,207.20087458,189.61917594,249.62638464,-0.33059720,1.08582173
-1.50768465

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445786/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10369

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.296306

>  <SCORE.INTRA.DIHEDRAL>
-0.156557

>  <SCORE.INTRA.DIHEDRAL.0>
1.98065

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.218028

>  <SCORE.INTRA.VDW.0>
-0.060056

>  <SCORE.INTRA.norm>
-0.0370383

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.762962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026349

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  207.2924  200.8765  251.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7061  199.6131  251.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4435  199.3911  251.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7611  200.4162  250.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3279  201.6876  250.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5954  201.9101  251.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1989  203.2469  250.9853 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.3331  203.3988  251.4559 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5348  204.1412  250.4443 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.5515  200.1108  250.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3692  199.0133  248.8930 P   0  0  0  0  0  0  0  0  0  0  0  0
  202.5050  199.3659  247.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8454  198.5371  248.5127 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8312  197.6992  249.6295 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8619  198.1572  251.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2758  198.0853  249.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3975  197.5063  250.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1715  197.7133  252.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <CHROM.1>
29.35516443,-61.01219184,-135.21167509,64.78988194,-49.63265290,205.13813392
200.33902579,250.24267789,-0.53357601,0.73785611,2.74762066

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445787/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.1704

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-3.2296

>  <SCORE.INTRA.DIHEDRAL>
4.37594

>  <SCORE.INTRA.DIHEDRAL.0>
2.82953

>  <SCORE.INTRA.POLAR>
-1.36412

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.779561

>  <SCORE.INTRA.VDW.0>
-0.430901

>  <SCORE.INTRA.norm>
-0.215307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.278027

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016305

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 38  0  0  0  0  0  0  0  0999 V2000
  212.1367  193.7639  241.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6676  192.3516  242.1597 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.9782  192.1101  241.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5142  193.0159  240.7471 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5033  190.8105  241.4314 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8930  189.6963  242.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1484  189.8088  243.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4867  188.6739  243.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6802  187.3996  243.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4492  187.2819  242.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0281  188.4121  241.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1419  186.2360  243.9205 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9630  185.3358  244.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1748  184.1912  244.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5095  185.8236  245.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0796  185.3050  247.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9204  184.0536  247.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3095  186.3781  248.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6855  187.6271  247.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5801  184.9005  247.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7509  185.9986  246.6922 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1361  188.8491  245.2068 Br  0  0  0  0  0  0  0  0  0  0  0  0
  213.1899  191.0817  244.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9455  192.2435  243.5896 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5153  191.0573  245.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9954  192.1175  246.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1840  192.1661  247.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9087  191.1635  248.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4551  190.1220  247.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2715  190.0666  246.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0583  188.7620  245.3960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.7005  190.5725  240.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3674  185.8002  243.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.4714  186.1337  245.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.7385  187.4579  247.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9176  186.1484  245.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 21 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-108.03166903,-111.66341849,109.67478482,86.39691201,54.19027152,-56.92016204
56.57070457,69.55325329,-153.55049435,213.06553353,188.89520829,244.72511629
0.53974115,1.40161803,0.41920031

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445788/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.752574

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-13.1526

>  <SCORE.INTRA.DIHEDRAL>
-7.6791

>  <SCORE.INTRA.DIHEDRAL.0>
12.7485

>  <SCORE.INTRA.POLAR>
-1.41736

>  <SCORE.INTRA.POLAR.0>
-0.0449126

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.49399

>  <SCORE.INTRA.VDW.0>
-2.94543

>  <SCORE.INTRA.norm>
-0.411018

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
-0.0235179

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000294

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  212.0084  187.5048  251.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7054  188.1965  251.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6544  189.3139  251.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5757  187.4724  251.7574 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9884  187.0321  253.6300 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.1957  186.0660  250.8934 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.7600  187.9470  251.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <CHROM.1>
124.70911361,-178.78853787,211.43774995,187.26757475,251.93938657,-0.21020710
0.85060327,-1.79961745

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445789/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.54822

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-1.85178

>  <SCORE.INTRA.DIHEDRAL>
-0.0161573

>  <SCORE.INTRA.DIHEDRAL.0>
1.05501

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.8437

>  <SCORE.INTRA.VDW.0>
1.1058

>  <SCORE.INTRA.norm>
-0.30863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
0.758037

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.099549

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  207.2775  190.1686  244.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6757  190.1126  242.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7149  189.1488  242.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3466  188.8933  241.0375 Si  0  0  0  0  0  0  0  0  0  0  0  0
  208.1301  188.0687  239.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9027  190.4731  240.5131 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2845  190.9848  239.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9305  191.0757  241.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5409  190.4889  242.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4210  192.4673  240.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6092  192.8697  241.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1388  194.1511  241.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4995  195.0465  240.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3121  194.6765  239.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7592  193.4081  240.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7801  187.8890  241.2509 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8079  187.0322  242.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7342  187.9477  240.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6492  188.7253  239.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9827  187.1059  240.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9278  187.3615  239.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1012  186.6109  239.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3569  185.5908  240.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4214  185.3092  241.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2311  186.0426  241.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-179.72048914,-69.10250462,-120.23094357,26.35971786,-168.84750943,-173.34948111
211.19940592,189.61312460,240.92707781,2.04052923,0.34913809,-0.03308287

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445790/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.98088

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-1.41912

>  <SCORE.INTRA.DIHEDRAL>
-4.4784

>  <SCORE.INTRA.DIHEDRAL.0>
7.62944

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.820077

>  <SCORE.INTRA.VDW.0>
-0.302769

>  <SCORE.INTRA.norm>
-0.056765

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.399235

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.058855

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  181.6086  215.3510  263.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8564  215.2206  264.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8189  214.5696  263.7829 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8468  215.9402  265.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9002  215.4041  266.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6320  213.9786  266.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9565  213.6739  267.8643 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2602  213.0964  266.0682 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0142  211.7208  266.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5352  211.3351  266.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9265  210.8208  267.2105 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.9582  211.5984  265.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.5496  211.3772  264.7251 C   0  0  2  0  0  0  0  0  0  0  0  0
  180.4635  211.6989  263.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9023  212.0368  262.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7098  211.9636  263.9530 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.3500  212.4438  261.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7075  212.7229  261.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1524  213.1541  260.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2463  213.3066  259.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8965  213.0197  259.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4453  212.5853  260.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6158  212.2532  265.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3233  211.8099  265.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.4467  212.6313  266.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8502  213.8956  266.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1350  214.3442  266.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0131  213.5260  265.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.8998  214.6171  267.6603 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.7022  215.9470  267.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
160.89417550,-65.68126465,-89.63156395,-177.57758250,60.27144762,-123.91609840
-150.70117031,-178.94633250,-129.75758732,181.50159965,213.23225284,264.68748036
0.92099685,0.02704990,-1.68115087

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445791/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.10218

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48

>  <SCORE.INTRA>
-6.29782

>  <SCORE.INTRA.DIHEDRAL>
0.371067

>  <SCORE.INTRA.DIHEDRAL.0>
8.1326

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.48335

>  <SCORE.INTRA.VDW.0>
2.35509

>  <SCORE.INTRA.norm>
-0.209927

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.270073

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001416

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  197.2343  213.7197  246.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6248  213.8763  247.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5092  214.7257  246.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8370  214.8975  246.7987 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6379  215.6597  246.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3036  216.1827  244.9570 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9886  215.8269  246.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0480  215.6374  247.9544 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2655  215.5480  248.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3816  215.2938  249.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6365  215.1428  250.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7904  215.2427  249.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7003  215.5131  248.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4479  215.6811  247.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3701  215.9388  246.4499 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1385  215.9883  245.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1667  216.0059  244.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2884  215.5453  243.6579 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3582  216.5018  243.9446 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5698  216.5198  242.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9466  217.0846  242.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1784  217.1125  240.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8053  215.6054  247.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0619  215.8864  248.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1361  215.9457  247.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1998  215.1916  250.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2549  215.3821  252.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8599  215.2150  252.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.93685336,-179.60649773,0.88642993,-22.37124005,-159.55172642,-21.65139408
-20.09363318,176.89470132,-179.37742756,-179.79007489,-179.99558792,-179.48143238
204.10389373,215.60150935,246.92038971,2.57462127,0.15674972,1.70363087

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445792/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.0075

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.621429

>  <SCORE.INTRA>
-9.3925

>  <SCORE.INTRA.DIHEDRAL>
-20.3804

>  <SCORE.INTRA.DIHEDRAL.0>
26.313

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0179855

>  <SCORE.INTRA.REPUL.0>
0.00315095

>  <SCORE.INTRA.VDW>
0.707791

>  <SCORE.INTRA.VDW.0>
2.18058

>  <SCORE.INTRA.norm>
-0.335446

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.285982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000140

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  204.3341  187.2877  243.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4171  188.1889  244.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4827  187.9253  243.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6477  188.8785  243.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2397  188.6870  244.7485 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5169  188.9104  245.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4448  190.0225  246.4156 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8214  187.7418  246.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7413  187.9570  247.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1092  186.8790  248.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5253  185.5733  247.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5727  185.3422  246.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2247  186.4129  246.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5480  185.9704  245.2599 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.0575  189.5154  247.7268 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.2519  188.7166  244.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-177.63822138,63.60120767,-63.56375831,-86.82155807,-159.20511419,206.56249827
187.74015148,245.88462900,0.28242692,0.94318444,-0.64381828

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445793/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.90758

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-4.49242

>  <SCORE.INTRA.DIHEDRAL>
-3.09394

>  <SCORE.INTRA.DIHEDRAL.0>
6.42018

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.208566

>  <SCORE.INTRA.norm>
-0.299495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.393839

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001470

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  198.6622  212.1372  261.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5996  211.0858  261.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6311  211.1361  260.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5625  210.2146  260.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4323  209.2653  261.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4885  209.1154  262.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5644  210.0227  262.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5189  208.0918  263.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7761  208.6565  262.1699 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.5293  207.4585  261.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7289  208.5693  263.6205 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5749  209.8362  261.6587 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1756  209.2359  261.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0667  210.0608  260.8897 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.3149  210.4628  259.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5509  211.7576  259.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4069  212.2964  260.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6972  211.2389  261.6174 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5882  210.9716  262.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7132  211.9555  262.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7619  212.9251  261.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7662  213.9884  261.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6563  215.1627  260.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6651  216.1351  261.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7521  215.9758  261.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8313  214.8209  262.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8288  213.8509  262.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8238  212.7730  263.5003 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7899  211.8760  263.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7556  211.0500  264.5082 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7877  217.0556  262.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4860  215.4579  260.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6049  210.3128  259.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5446  212.6954  264.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 14 13  1  1  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 29  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 34  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
91.86958271,162.47958203,-168.00241966,78.18683346,57.48023981,76.57175637
194.28342860,211.49064396,261.81923052,-0.69928979,0.29236383,2.95951015

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445802/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03771

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
0.908679

>  <SCORE.INTRA.DIHEDRAL.0>
2.92399

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.81663

>  <SCORE.INTRA.VDW.0>
-2.25889

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.182961

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  193.8947  211.1804  241.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7514  210.6623  242.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4452  211.4559  243.6329 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1151  210.6345  244.5330 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8953  209.2637  244.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4113  208.2981  244.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9149  209.2427  243.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2936  208.1773  242.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4103  206.8787  243.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7147  205.6684  242.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8805  204.7051  243.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6805  205.3436  244.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3522  206.6695  244.6567 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0318  207.6051  245.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5706  207.4443  246.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2875  208.3782  247.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4654  209.4696  247.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8829  209.6102  246.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1639  208.6763  245.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1347  210.6846  248.9336 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2899  211.7141  248.3736 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8388  210.0254  250.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6519  211.3777  249.1173 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0068  211.2144  245.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8170  212.3014  245.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7269  212.8472  246.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8468  212.3038  247.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0471  211.2214  247.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1108  210.7083  246.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1901  210.6709  249.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1003  210.9972  249.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2635  209.7511  249.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3240  210.6769  249.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9211  211.8641  248.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3416  209.3544  250.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <CHROM.1>
-37.35495799,-130.48551379,-151.44309546,178.69405971,-60.91719831,-10.71671747
178.64269194,195.28186573,209.62412771,246.17288741,-1.94816944,0.63985025
1.16693686

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445803/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.00839

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-8.39161

>  <SCORE.INTRA.DIHEDRAL>
-6.05219

>  <SCORE.INTRA.DIHEDRAL.0>
21.7493

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.96552

>  <SCORE.INTRA.VDW.0>
-2.3551

>  <SCORE.INTRA.norm>
-0.262238

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0940122

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000493

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  197.6575  222.5225  251.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4445  223.9007  251.9656 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5836  224.2794  253.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5509  225.0518  253.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6503  225.4742  255.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7584  225.1674  255.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8028  224.4396  255.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7128  223.9988  254.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9200  225.6894  257.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3321  224.7088  258.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0528  223.7560  258.9433 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0950  223.0481  259.6709 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8902  223.6553  259.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9879  224.6975  258.6447 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7172  223.0740  260.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8208  221.9444  260.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6985  221.4108  261.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4299  221.9824  261.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3184  223.1006  260.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4531  223.6441  259.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3745  221.3932  261.9894 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1638  221.2333  261.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7675  220.3176  262.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6451  220.4379  263.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4658  225.3412  253.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2060  226.7277  252.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-130.64532681,-120.72577079,91.47300954,94.03928037,0.15614715,58.02615454
-138.36886878,195.55687577,223.45965718,257.79792295,1.11768289,-0.16245236
-1.28491608

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445804/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.257

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-2.14297

>  <SCORE.INTRA.DIHEDRAL>
9.63417

>  <SCORE.INTRA.DIHEDRAL.0>
4.32893

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.96006

>  <SCORE.INTRA.VDW.0>
8.2779

>  <SCORE.INTRA.norm>
-0.082422

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.394501

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000443

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  196.1252  219.5748  254.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7043  218.2299  254.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6213  217.3000  253.9213 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1570  218.1300  256.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6517  217.0067  256.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0424  216.7426  257.7500 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4778  215.4259  257.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4460  214.6232  256.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9309  215.5657  255.4124 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.7725  213.2759  256.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1843  212.7085  258.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2656  213.4833  259.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9117  214.8439  259.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6034  211.0395  258.0574 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.8518  217.7071  258.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0913  218.5569  259.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4630  219.0070  260.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7357  218.7728  257.8885 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9207  219.5694  257.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
178.55392658,-95.15454853,-147.50022093,179.64576389,198.47955208,216.06167213
257.22103379,1.98172765,-1.03028297,0.11309660

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445805/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.115609

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-9.51561

>  <SCORE.INTRA.DIHEDRAL>
-22.0662

>  <SCORE.INTRA.DIHEDRAL.0>
25.5827

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.51752

>  <SCORE.INTRA.VDW.0>
0.177839

>  <SCORE.INTRA.norm>
-0.500822

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
-0.00608466

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000358

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  192.4343  196.4051  248.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6507  195.8304  248.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9461  196.5803  248.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9286  198.0474  248.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2648  198.8915  247.9101 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7741  198.9526  247.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0525  197.7826  248.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9512  200.4624  247.7283 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.4242  201.0704  246.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8348  201.1262  249.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6681  200.1277  247.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0248  199.1560  246.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3900  198.8245  246.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3759  199.5630  246.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9912  200.5420  247.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6501  200.8305  248.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6920  199.3693  246.7831 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1110  198.3905  245.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2395  197.5641  245.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8694  197.8010  245.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9445  196.8895  244.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7322  196.9703  244.7406 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5590  195.9387  243.9262 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5504  198.3085  245.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3774  197.4876  245.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7115  197.8522  245.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9909  197.4039  244.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1109  198.0358  245.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9672  199.0916  246.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7023  199.5515  246.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6113  198.9007  246.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3053  199.1828  246.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9895  195.3149  243.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 33  1  0  0  0  0
 24 32  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
167.57859485,47.33412877,-179.68408042,1.33403427,179.42799336,198.60621436
198.60039025,246.76536173,3.02928533,0.16813758,0.48946106

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445806/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78295

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-2.61705

>  <SCORE.INTRA.DIHEDRAL>
-4.80332

>  <SCORE.INTRA.DIHEDRAL.0>
6.16586

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.215388

>  <SCORE.INTRA.VDW.0>
-1.49595

>  <SCORE.INTRA.norm>
-0.0817828

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.211967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000371

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  204.3306  211.5476  248.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9932  211.8975  247.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2117  212.6975  248.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7853  211.2100  246.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5469  211.4725  246.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4251  210.6166  244.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4273  209.1720  245.0717 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7429  208.3859  244.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5020  208.7676  243.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2794  207.0433  244.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6260  206.2604  243.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2125  204.9640  243.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4452  204.4411  245.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0454  205.2352  246.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4613  206.5623  245.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1818  207.3133  246.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6204  207.7648  248.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4351  208.3862  249.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8192  208.4194  248.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3732  208.0401  247.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4982  207.7150  246.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6357  208.6265  245.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7406  209.0073  245.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-178.53570258,-179.05209346,61.41639736,150.83950165,201.58370832,208.62094076
246.19973620,-0.16022216,1.10517459,2.28632275

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445807/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.19221

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-4.20779

>  <SCORE.INTRA.DIHEDRAL>
-3.26697

>  <SCORE.INTRA.DIHEDRAL.0>
3.92566

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.5743

>  <SCORE.INTRA.VDW.0>
0.738653

>  <SCORE.INTRA.norm>
-0.182947

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.225748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025118

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  217.1368  195.3589  246.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2446  195.0635  247.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9649  194.3480  247.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0700  194.0484  248.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7893  193.3239  247.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0733  191.9438  247.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1217  190.8753  248.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4163  189.5846  247.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6666  189.3391  246.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6086  190.3731  245.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8688  190.0946  244.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8099  191.0742  243.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4456  192.3760  243.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3179  193.3926  242.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5600  193.1456  241.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9554  191.8781  240.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2200  191.6642  239.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6342  190.4190  238.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7844  189.3708  239.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5141  189.5690  241.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0913  190.8214  241.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2096  192.6630  244.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2927  191.6892  245.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 23  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 23  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
179.86005804,-179.72135287,65.35969599,88.18082893,214.07210374,191.90900288
244.38295824,-1.54406989,-1.17961701,-1.84906186

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445808/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.83098

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-0.569021

>  <SCORE.INTRA.DIHEDRAL>
0.0980296

>  <SCORE.INTRA.DIHEDRAL.0>
0.734892

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.618036

>  <SCORE.INTRA.VDW.0>
-0.496703

>  <SCORE.INTRA.norm>
-0.0247401

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.383956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.100602

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  210.0594  188.3192  257.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1493  187.9092  255.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1586  188.8738  254.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0680  190.2122  255.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1016  191.2402  254.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0399  192.4489  254.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2245  190.7377  252.9263 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3270  189.4115  252.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4625  189.0035  251.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2733  188.5010  253.5724 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2993  191.7077  251.9010 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9724  190.6365  256.5718 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9729  189.6774  257.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3489  187.5287  253.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3466  191.1467  251.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
-178.00851094,210.16942140,189.94990591,254.37687626,-2.28723876,1.48238886
-0.57029919

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445809/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.22088

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.415385

>  <SCORE.INTRA>
-0.179116

>  <SCORE.INTRA.DIHEDRAL>
-0.00645424

>  <SCORE.INTRA.DIHEDRAL.0>
0.0191374

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.175889

>  <SCORE.INTRA.VDW.0>
0.843325

>  <SCORE.INTRA.norm>
-0.0137782

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.401606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042196

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  202.7728  212.8336  247.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2452  212.4496  248.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4120  211.3289  248.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0638  210.5753  247.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6154  210.9915  246.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4651  212.0984  245.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1326  209.4173  247.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5684  209.0016  248.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7528  207.8638  248.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4736  207.1524  247.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9928  207.5132  246.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8139  208.6557  246.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7163  206.7008  245.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2630  207.0394  243.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0084  206.2787  242.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2166  205.1396  242.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6739  204.7677  243.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9123  205.5448  245.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2439  207.4055  250.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5265  208.1199  251.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0370  207.7123  252.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2274  206.5872  252.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9218  205.8636  251.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4357  206.2601  250.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-1.10445195,1.99415928,-178.30801886,199.35452581,208.22037522,247.48255854
-1.24460612,0.93327450,1.29327770

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445818/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.62431

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.775694

>  <SCORE.INTRA.DIHEDRAL>
-3.28314

>  <SCORE.INTRA.DIHEDRAL.0>
3.29144

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.865876

>  <SCORE.INTRA.VDW.0>
-0.269837

>  <SCORE.INTRA.norm>
-0.0323206

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.317679

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.350590

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  202.7982  188.2315  246.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9740  189.6771  245.7817 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1747  189.8071  244.2457 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3854  191.2781  243.7737 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4131  191.3967  242.2315 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8962  192.7774  241.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0102  193.7928  242.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2543  190.3799  241.6581 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3823  192.1575  244.2770 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2821  188.9742  243.8835 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8890  190.4598  246.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0447  187.4069  246.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1043  187.5800  246.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9989  186.2822  245.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0224  186.0315  244.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1804  185.6383  245.0392 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3540  194.6505  241.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2013  190.4644  240.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5047  193.0389  243.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4629  189.1090  242.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9312  191.3380  245.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1320  184.9201  244.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  5  6  1  1  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <CHROM.1>
67.55567555,66.03090570,-178.59956386,-171.68563950,-173.17125619,-175.30197209
-168.54316066,-174.31635968,-61.32957217,176.96144339,179.39070325,-0.29703529
-179.65525010,203.55513113,189.53918961,244.31533741,1.28832249,-1.05795872
2.42026072

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445819/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.97413

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.775

>  <SCORE.INTRA>
-10.4259

>  <SCORE.INTRA.DIHEDRAL>
-6.82483

>  <SCORE.INTRA.DIHEDRAL.0>
10.479

>  <SCORE.INTRA.POLAR>
-1.61992

>  <SCORE.INTRA.POLAR.0>
-0.771072

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.50572

>  <SCORE.INTRA.VDW.0>
0.86442

>  <SCORE.INTRA.norm>
-0.651617

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.123383

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  202.1637  221.7151  247.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6583  223.0153  247.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2472  223.9373  246.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5700  223.6405  248.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2677  223.8957  248.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3211  224.5240  248.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6609  224.8777  250.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9528  224.6260  250.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8897  223.9987  249.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5601  225.8826  251.2118 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.0931  225.8827  252.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3614  227.1248  250.4926 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0815  225.0785  251.2638 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1924  225.0181  250.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3871  223.7219  249.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4636  222.5023  250.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1340  222.6090  251.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8827  223.9307  252.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4104  221.2993  249.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3766  220.8354  248.9243 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6911  220.5161  249.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7677  220.8185  249.7846 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9434  220.1620  249.5060 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0985  219.2535  248.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1247  218.6219  248.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9111  219.0971  247.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5874  219.3479  248.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0326  220.5800  250.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3513  220.1995  250.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4320  220.6419  250.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2014  221.4419  251.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9030  221.7869  252.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8285  221.3606  251.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6552  222.0719  252.9472 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 27  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-52.31325855,170.96671507,-72.59595456,-76.31407125,13.24328216,-168.10997286
200.25196840,222.56365282,250.26908006,0.08961043,0.31651135,-2.61913286

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445820/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.74239

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-7.65761

>  <SCORE.INTRA.DIHEDRAL>
-6.09858

>  <SCORE.INTRA.DIHEDRAL.0>
9.55166

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.60832

>  <SCORE.INTRA.VDW.0>
-1.21113

>  <SCORE.INTRA.norm>
-0.225224

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.11007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001236

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  222.9126  178.8995  244.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8463  177.8788  244.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3329  178.0835  245.9074 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3508  177.2118  246.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2672  177.7143  247.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2744  176.8236  247.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3291  175.4546  247.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2583  174.5686  247.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2533  173.1825  247.1839 N   0  3  1  0  0  0  0  0  0  0  0  0
  216.8980  173.3369  246.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.6528  172.6296  247.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4905  173.4886  246.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4012  174.9525  246.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3860  175.8345  246.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2308  172.2188  247.8161 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.0600  170.9661  246.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5949  171.9016  249.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9111  172.3264  250.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6646  171.0981  249.5242 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2133  179.0676  247.3630 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9862  179.9341  246.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9517  181.3929  246.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1866  170.5894  248.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.8700  170.8646  250.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
179.65664742,-140.05490559,68.53807373,166.78369049,110.24593372,-179.49144194
218.77889523,175.51013065,247.03664740,-0.97204702,-0.66203109,-3.09666248

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445821/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0484

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-1.35158

>  <SCORE.INTRA.DIHEDRAL>
6.00434

>  <SCORE.INTRA.DIHEDRAL.0>
1.17734

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.35376

>  <SCORE.INTRA.VDW.0>
4.87318

>  <SCORE.INTRA.norm>
-0.0643612

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.478496

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000036

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  224.1595  185.2486  246.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9065  186.0780  244.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6814  186.7410  244.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5349  187.5620  243.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5355  187.6442  242.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7141  186.9349  242.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9105  186.1684  243.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7181  186.9744  241.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6944  186.7828  245.7388 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.4397  187.5459  241.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.0162  187.1719  246.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.2113  185.8999  245.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
56.29987432,-0.45271406,223.77738212,186.67309994,244.06648071,-2.23786013
0.40882541,-1.03977293

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445822/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64706

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.752941

>  <SCORE.INTRA.DIHEDRAL>
-0.170682

>  <SCORE.INTRA.DIHEDRAL.0>
0.629744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.6676

>  <SCORE.INTRA.VDW.0>
0.587172

>  <SCORE.INTRA.norm>
-0.0836602

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.627451

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000148

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 73 76  0  0  0  0  0  0  0  0999 V2000
  194.4879  201.0963  247.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5329  200.0031  247.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
176.50637801,76.35240163,2.47601008,115.44927289,-116.18234591,-175.67291304
-63.71247955,-44.51850897,-60.38647049,-62.71440428,49.37771940,62.03885424
-74.45844676,-59.98949699,173.23517270,-165.48127795,-162.74298099,122.25284413
108.97130515,-86.43477090,-70.28259801,-177.74107035,-113.03301963,-4.45301057
65.61394253,-56.58904252,131.46937930,-178.62686019,63.14376278,201.19905947
203.91844106,243.51443698,2.89178994,-0.06297098,-0.80434985

>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
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>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
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>  <SCORE.heavy>
67

>  <SCORE.norm>
0.11161

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.088680

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
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  205.1754  214.4772  254.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
98.62605340,175.38272222,177.26229778,-31.41867873,174.17130860,206.02594842
211.81717212,255.28413806,-1.86440855,-0.51249592,3.05483068

>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
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>  <SCORE.heavy>
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>  <SCORE.norm>
-0.0491367

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.170834

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
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  207.0382  202.5721  247.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0025  203.3297  247.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8568  200.5955  246.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4338  199.8196  245.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5487  198.9735  244.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9264  197.8073  245.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3758  198.2140  246.7447 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1770  197.1549  247.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7930  198.5963  246.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1788  209.3512  248.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8600  202.6164  247.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 31  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 46  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <CHROM.1>
84.24207017,65.55981900,-58.00945823,-64.53038622,-25.27281255,-177.37265305
-176.15465151,-170.33725429,42.41194753,-174.33594555,70.39595766,-58.37416022
155.79454657,198.65197390,205.37629593,248.55850065,2.63730378,0.13528329
0.07551689

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445825/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.4344

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.418182

>  <SCORE.INTRA>
-3.96563

>  <SCORE.INTRA.DIHEDRAL>
0.625157

>  <SCORE.INTRA.DIHEDRAL.0>
5.2379

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.27821

>  <SCORE.INTRA.VDW.0>
3.25424

>  <SCORE.INTRA.norm>
-0.090128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.328054

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  193.0183  198.1872  243.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0977  199.0324  242.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2691  199.7482  241.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3688  199.6151  242.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3152  198.7393  243.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1079  198.0588  244.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2864  198.6801  244.8194 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5894  200.3771  242.3805 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.5455  201.1588  241.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6076  200.1801  243.0611 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.6641  199.5946  245.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0178  197.9897  244.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <CHROM.1>
38.16913570,195.33999900,199.43001630,242.93191989,2.69846831,0.35051280
2.19171416

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445826/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.07677

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.323234

>  <SCORE.INTRA.DIHEDRAL>
-0.262849

>  <SCORE.INTRA.DIHEDRAL.0>
0.615936

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.191809

>  <SCORE.INTRA.VDW.0>
-0.114289

>  <SCORE.INTRA.norm>
-0.0323234

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.607677

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000100

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  206.5038  209.7685  250.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9529  208.4105  250.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3856  208.3485  248.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6494  207.7683  247.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5791  207.5526  246.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9123  207.9504  247.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8194  208.3753  248.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8614  208.9926  249.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9048  208.9427  250.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0572  208.0216  251.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7589  207.7718  251.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7693  209.8550  251.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2631  209.6204  251.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4440  211.3491  251.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1149  207.8237  246.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2597  207.3645  247.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4349  207.7009  246.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7587  208.4326  245.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8292  209.0040  245.2702 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7090  208.4600  244.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8702  209.1812  243.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6003  206.5401  248.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4002  206.3043  248.7628 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5063  206.0728  249.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9167  205.2815  250.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
131.55144438,-65.39657524,170.63068618,-11.04154712,177.95100313,179.68391276
207.11478378,208.19757702,248.54580547,0.58635696,0.46118910,1.86750705

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445827/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.28515

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-2.11485

>  <SCORE.INTRA.DIHEDRAL>
-5.15458

>  <SCORE.INTRA.DIHEDRAL.0>
13.6075

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.462441

>  <SCORE.INTRA.VDW.0>
0.981873

>  <SCORE.INTRA.norm>
-0.084594

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.371406

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019547

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  189.7486  212.6042  262.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3223  213.1102  263.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6934  212.2136  264.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5280  211.0171  264.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3249  212.8730  265.7625 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3989  213.3620  261.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8756  212.9336  260.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8041  211.5487  259.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2927  210.6101  260.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3539  211.4336  258.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6480  215.0438  261.8494 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.9065  212.3130  266.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3322  210.5483  258.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
178.68733304,0.18988029,-179.77371077,0.72667801,-179.03973584,189.97880958
212.68918428,262.09919395,2.64366725,1.09450630,0.45939872

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445829/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.98573

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-6.41427

>  <SCORE.INTRA.DIHEDRAL>
-11.857

>  <SCORE.INTRA.DIHEDRAL.0>
11.8732

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.485789

>  <SCORE.INTRA.VDW.0>
0.357753

>  <SCORE.INTRA.norm>
-0.583115

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.180521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040712

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  197.6329  216.6314  263.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4206  215.5443  262.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1200  214.3320  263.6197 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8681  213.1704  262.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1455  212.1189  262.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8062  211.0117  261.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1969  210.9381  261.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9273  211.9698  262.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2680  213.0760  263.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5740  214.3956  264.9750 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1987  213.3634  265.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4880  212.4269  265.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7457  213.5245  267.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5733  214.5973  267.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1060  214.6685  268.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8118  213.6744  269.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9764  212.6134  269.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4460  212.5362  268.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
173.64931738,-116.67575428,172.61962837,-2.50198503,-2.16744953,198.92526025
213.42150949,265.03265237,1.62729239,1.25143511,-1.76964979

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445830/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.48848

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-3.91152

>  <SCORE.INTRA.DIHEDRAL>
-7.89995

>  <SCORE.INTRA.DIHEDRAL.0>
9.13407

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0384501

>  <SCORE.INTRA.VDW.0>
-0.473547

>  <SCORE.INTRA.norm>
-0.217307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.360471

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.150973

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  215.1202  183.0297  253.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0644  182.1358  253.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6343  181.0249  252.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1531  180.5266  251.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3797  181.2511  251.1128 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9172  182.4630  251.8561 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.3344  182.0775  252.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0096  182.7414  252.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6981  180.9764  251.4796 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5812  180.3382  250.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4945  179.2125  250.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0487  180.5398  251.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3305  179.4288  250.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6471  179.0642  250.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7227  179.8008  250.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4757  180.8668  251.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1559  181.2447  251.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9775  179.3692  250.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0869  179.7180  251.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2050  180.3310  250.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3061  180.7101  251.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3280  180.4257  252.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2540  179.7499  253.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1002  179.3786  252.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9864  178.6711  253.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5170  179.1154  254.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4853  178.4591  255.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8735  177.3478  254.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3119  176.8811  253.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3656  177.5231  252.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-177.75195554,-158.12513566,-126.19442853,-134.24121874,220.01742053,180.16507257
252.04442152,-2.98895605,-0.16085748,2.35706334

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445831/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.05447

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-1.34553

>  <SCORE.INTRA.DIHEDRAL>
0.982999

>  <SCORE.INTRA.DIHEDRAL.0>
5.37184

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.83703

>  <SCORE.INTRA.VDW.0>
-0.916747

>  <SCORE.INTRA.norm>
-0.044851

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.268482

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013831

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  198.1419  210.3354  261.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5649  209.1791  261.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7907  207.9799  260.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5949  207.8703  259.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3134  209.1052  259.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0801  209.0955  258.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0568  210.3899  260.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5997  211.4419  259.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8388  206.6787  258.9932 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3740  206.5705  257.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9914  205.9413  259.2564 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7164  209.1689  262.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1447  208.0750  263.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3497  206.7642  262.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5307  205.7187  262.2804 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3051  208.2237  264.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6147  208.3694  265.3376 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0227  207.1023  257.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7113  206.4339  258.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <CHROM.1>
-174.97726359,113.49319463,76.57702755,-75.83046227,197.92456747,208.24962036
260.85844860,-2.95145113,-0.92359940,-2.85145698

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445832/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.44795

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-4.95205

>  <SCORE.INTRA.DIHEDRAL>
-9.98397

>  <SCORE.INTRA.DIHEDRAL.0>
10.8014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0399339

>  <SCORE.INTRA.VDW.0>
-0.481883

>  <SCORE.INTRA.norm>
-0.291297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.143997

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.316460

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  189.3103  221.1779  263.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6291  220.8458  262.9044 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8546  221.1262  261.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5804  220.1215  260.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6255  220.4358  259.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0347  221.7067  258.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9973  222.2616  257.4430 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.0169  221.6334  256.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2823  221.2976  255.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1706  220.9746  254.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8587  220.9436  254.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6131  221.2224  256.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6741  221.5740  256.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0168  221.2115  256.7627 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.5080  221.3338  254.4292 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6975  221.3560  254.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9468  221.2990  256.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3600  222.5283  256.9943 N   0  0  2  0  0  0  0  0  0  0  0  0
  193.1587  223.2561  258.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3654  223.7537  259.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5827  222.5885  259.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4175  222.3401  261.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9106  221.4432  254.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7585  221.4725  252.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8857  221.4769  251.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1658  221.4575  252.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3266  221.4664  253.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2047  221.4788  254.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2137  218.8806  261.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1826  217.8560  260.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  6 21  1  0  0  0  0
  7  6  1  1  0  0  0
  7 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-90.24966094,-111.22046439,-1.26743931,191.15110316,221.31655414,257.32105793
-2.12582997,-0.07903214,-1.50957045

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445833/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38662

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.28

>  <SCORE.INTRA>
-2.01338

>  <SCORE.INTRA.DIHEDRAL>
3.12301

>  <SCORE.INTRA.DIHEDRAL.0>
5.9277

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.57489

>  <SCORE.INTRA.VDW.0>
4.17831

>  <SCORE.INTRA.norm>
-0.0671128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.212887

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  195.4803  222.7922  257.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7493  221.8761  256.9067 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8344  221.2695  257.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6009  221.5260  258.9205 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4123  222.4468  259.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3735  223.1130  258.7975 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1886  222.8243  261.0721 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.0488  220.3151  257.0380 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4424  223.4453  256.7817 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0202  220.4589  256.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.1645  220.2131  257.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1799  223.8013  257.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7152  222.8955  255.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <CHROM.1>
-155.52283075,-22.72849054,194.51916155,222.26490408,258.61235068,-1.39858382
0.71151153,1.23455719

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445835/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.4

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-6.95606e-07

>  <SCORE.INTRA.DIHEDRAL>
-1.88802e-06

>  <SCORE.INTRA.DIHEDRAL.0>
0.932852

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.48403e-07

>  <SCORE.INTRA.VDW.0>
-0.166031

>  <SCORE.INTRA.norm>
-7.72895e-08

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.822222

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000180

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  212.0674  190.3400  250.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3568  191.1056  251.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5348  190.4613  251.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7617  191.1311  251.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8001  192.4646  250.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6309  193.1186  250.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4142  192.4375  250.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0273  190.4575  251.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5006  190.3620  252.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4523  191.6802  253.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4673  192.3896  253.7903 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2670  192.1208  254.3498 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2162  193.4763  254.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0441  194.2443  254.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7784  193.5378  254.5663 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7441  192.1158  254.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0341  191.3562  254.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7588  194.1392  255.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9851  195.3247  256.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9810  195.9292  256.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7110  195.3638  256.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4490  194.1972  256.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4573  193.6028  255.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1258  192.4975  254.6928 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.1954  188.9835  250.7359 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.5823  188.5774  250.8257 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1594  188.0926  251.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8477  189.3833  249.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-88.39265246,-48.78288451,169.13159108,-92.76546146,-12.53984898,214.81292811
191.88623081,253.03619633,0.92874753,0.15197298,-2.24275502

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445842/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.46692

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-2.93308

>  <SCORE.INTRA.DIHEDRAL>
-4.44336

>  <SCORE.INTRA.DIHEDRAL.0>
7.3063

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.7114

>  <SCORE.INTRA.VDW.0>
-2.52735

>  <SCORE.INTRA.norm>
-0.104753

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.266676

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000789

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  189.0002  212.2131  253.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6663  212.1607  253.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8547  213.3118  253.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6078  213.3973  254.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1542  212.3364  255.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9388  211.1859  255.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1982  211.0630  254.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9712  209.7576  254.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4546  208.5080  253.5267 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.7144  208.3929  253.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0322  207.5804  254.4091 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.7052  207.9436  254.3359 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.5896  208.9982  253.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8441  209.2677  252.9796 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2104  210.2534  252.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4362  211.3999  251.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9036  212.4348  251.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1700  212.3441  250.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9305  211.1816  250.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4343  210.1261  251.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7319  213.5060  249.7193 N   0  3  0  0  0  0  0  0  0  0  0  0
  186.0284  214.5217  249.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8857  213.4111  249.2764 O   0  5  0  0  0  0  0  0  0  0  0  0
  182.3033  209.7342  253.2510 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.0520  208.9033  253.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2749  210.9986  253.9843 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.7435  212.1367  253.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3372  212.1608  252.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.6375  213.3769  254.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6662  214.3485  254.3339 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8889  215.0313  253.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0566  215.9886  253.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1164  217.0463  254.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1790  217.9533  253.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1955  217.8154  253.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1470  216.7737  252.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0857  215.8641  252.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5506  211.0093  254.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 38  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
-95.70813768,-52.77550641,-91.06593303,-21.13480238,-153.40930336,141.85710463
94.46167720,62.50160306,-175.44451365,-57.57585633,185.11561549,212.12546182
252.94240893,-1.55530400,-0.32559011,2.99005431

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445843/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.97237

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416216

>  <SCORE.INTRA>
-7.42763

>  <SCORE.INTRA.DIHEDRAL>
-0.413474

>  <SCORE.INTRA.DIHEDRAL.0>
11.2938

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.22089

>  <SCORE.INTRA.VDW.0>
-4.32401

>  <SCORE.INTRA.norm>
-0.200747

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.215469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  195.4738  217.7097  264.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1640  218.1897  263.5595 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1469  218.2277  264.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7002  217.4837  262.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4377  216.1557  262.4749 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9909  215.5382  261.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7673  216.0686  260.1515 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0588  217.3794  260.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5122  218.0921  261.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7161  219.3566  260.7286 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3676  219.3622  259.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9573  218.1827  259.0039 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0840  220.1303  261.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
63.06958672,193.54564582,217.66706912,261.64678693,-0.75125490,-1.23125329
-0.73027361

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445844/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.19699

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-1.20301

>  <SCORE.INTRA.DIHEDRAL>
0.0147964

>  <SCORE.INTRA.DIHEDRAL.0>
0.464529

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21041

>  <SCORE.INTRA.VDW.0>
0.954713

>  <SCORE.INTRA.norm>
-0.100251

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.433083

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001901

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 35  0  0  0  0  0  0  0  0999 V2000
  197.2330  190.2950  244.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6408  190.1422  245.6797 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6450  189.6910  246.7611 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.5374  190.8350  247.2635 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7366  192.1144  247.5454 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7706  192.4539  246.3935 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.9459  191.3160  246.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9941  193.5849  246.8313 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0462  194.0597  245.8403 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2129  195.1935  246.4872 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.9549  196.5468  246.5772 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5702  196.9510  245.2364 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5107  195.8386  244.7540 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7432  194.5187  244.5437 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.7803  194.6310  243.4894 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1383  196.2293  243.5339 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5304  197.1395  244.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0163  197.5529  246.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8365  194.7568  247.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9353  191.8884  248.8180 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.5153  191.4556  249.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5846  192.8019  249.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1609  191.2422  248.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1622  190.4238  248.4975 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4555  188.5754  246.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6553  189.0325  243.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1705  195.3714  243.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4266  196.3363  242.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9484  197.5725  243.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4818  198.4057  247.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2866  195.4627  248.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7781  189.6943  248.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9892  188.2965  247.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2516  188.6479  244.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  6  0  0  0
  4  5  1  0  0  0  0
  4 24  1  1  0  0  0
  5  6  1  0  0  0  0
  5 20  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  1  0  0  0
 11 12  1  0  0  0  0
 11 18  1  6  0  0  0
 12 13  1  0  0  0  0
 12 17  1  6  0  0  0
 13 14  1  0  0  0  0
 13 16  1  6  0  0  0
 14 15  1  6  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
M  CHG  1  20   1
M  END
>  <CHROM.1>
65.65574475,-53.23397181,-173.86210840,67.00768573,45.32037457,178.55805366
175.54573577,-177.84607560,178.43886140,168.42543407,-62.85417029,67.24258916
196.30121919,193.20521118,245.99734747,-0.22808145,1.12828939,-1.47884446

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445845/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.35326

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-6.04674

>  <SCORE.INTRA.DIHEDRAL>
-9.23755

>  <SCORE.INTRA.DIHEDRAL.0>
12.0495

>  <SCORE.INTRA.POLAR>
-0.306462

>  <SCORE.INTRA.POLAR.0>
-1.10974

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.386001

>  <SCORE.INTRA.VDW.0>
-0.86613

>  <SCORE.INTRA.norm>
-0.262902

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.102315

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003310

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  233.5261  191.1270  246.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.7402  189.9846  246.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.3007  189.9614  246.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.5016  188.8111  246.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.0653  188.8223  246.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2187  187.6983  245.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8004  187.7909  246.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2599  186.9608  247.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1804  188.8687  245.9440 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8135  189.0236  246.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2676  190.2478  245.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-179.69924171,-179.57246177,179.65525683,-178.07143044,-114.58358334,178.79883036
-179.37262499,228.48532092,189.03611261,246.35730056,0.19859583,-0.07663145
-0.20212385

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445846/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.4931

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.12727

>  <SCORE.INTRA>
-3.9069

>  <SCORE.INTRA.DIHEDRAL>
-6.26801

>  <SCORE.INTRA.DIHEDRAL.0>
7.56443

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.772896

>  <SCORE.INTRA.VDW.0>
0.947376

>  <SCORE.INTRA.norm>
-0.355173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.7721

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034556

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  208.3613  188.9933  239.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8149  188.8784  239.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9459  189.2488  241.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2627  189.2877  241.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6596  188.2375  242.2925 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9110  188.2668  242.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7625  189.2487  242.4865 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2671  190.2507  241.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0310  190.3257  241.2978 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3886  191.5648  241.3593 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.2523  190.7688  239.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4080  187.2488  243.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9450  186.0503  242.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3511  186.3090  242.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9886  184.9497  243.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4402  188.6608  241.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9498  187.6575  244.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-174.63030738,-101.39856482,84.90407669,78.95993474,77.87502620,212.76416260
188.84851634,241.72305688,2.34448957,-0.29653397,-0.43928554

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445847/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.11097

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-1.28903

>  <SCORE.INTRA.DIHEDRAL>
-0.390255

>  <SCORE.INTRA.DIHEDRAL.0>
3.50365

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09391

>  <SCORE.INTRA.VDW.0>
-0.144245

>  <SCORE.INTRA.norm>
-0.0859356

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.607398

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  200.1546  220.3604  259.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9032  220.4532  260.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0179  220.9793  262.0354 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9155  219.9874  262.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1244  219.8103  260.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9947  219.4546  259.7013 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3558  218.0187  259.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1406  217.1373  259.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5022  217.1083  258.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3824  216.2942  257.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8895  215.4978  258.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5157  215.5157  260.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6385  216.3272  260.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5891  222.4334  261.9152 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9438  222.9339  263.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7969  222.9048  264.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2889  224.1284  265.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0818  224.1629  266.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4016  222.9727  266.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9280  221.7558  266.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1247  221.7185  265.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5387  225.3316  266.6918 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7073  223.4026  261.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9417  223.5922  262.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9279  224.4498  261.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7164  225.1520  260.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5040  225.0284  259.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5113  224.1889  260.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3414  226.1837  266.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  1  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 29  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-166.88220777,-167.04127256,72.44168605,60.27969806,-60.02014706,105.86469993
0.16192414,199.74348976,221.13113237,261.86432629,-2.48121897,1.03550477
1.44801359

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445848/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.28812

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-2.11188

>  <SCORE.INTRA.DIHEDRAL>
0.173131

>  <SCORE.INTRA.DIHEDRAL.0>
2.59466

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.19844

>  <SCORE.INTRA.VDW.0>
-1.57576

>  <SCORE.INTRA.norm>
-0.0754242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.331719

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008749

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  201.1911  214.3585  252.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2056  213.1713  253.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0916  212.0437  253.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6516  213.5858  255.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7967  213.4439  256.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1935  213.8604  257.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4623  214.4132  257.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3125  214.5687  256.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9191  214.1474  255.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8679  214.8835  258.8954 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1859  216.2180  259.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0346  217.1388  258.2372 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4312  218.3799  258.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9235  218.7342  259.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9951  217.7495  260.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6553  216.4782  260.3907 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6766  218.1630  262.0544 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.4000  219.2936  257.4508 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1537  219.9613  257.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5885  219.3597  255.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6276  219.3818  254.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9160  218.6859  255.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4492  219.2869  256.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5920  214.3025  259.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
118.39083990,-116.48019991,3.78841945,81.66776590,202.89748784,216.54124006
257.31232631,3.06142585,1.26882190,2.55164459

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445849/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.53691

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-1.86309

>  <SCORE.INTRA.DIHEDRAL>
-0.0631212

>  <SCORE.INTRA.DIHEDRAL.0>
2.20194

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.83153

>  <SCORE.INTRA.VDW.0>
0.111048

>  <SCORE.INTRA.norm>
-0.081004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.327692

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000380

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 44  0  0  0  0  0  0  0  0999 V2000
  212.6188  190.8023  251.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9665  191.2912  252.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3050  190.8182  254.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2786  189.8729  253.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9190  189.3891  252.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6034  189.8480  251.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6816  188.1149  252.5925 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.4238  186.9724  251.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7196  186.6801  251.6750 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.7455  185.7983  251.4142 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.3653  187.4691  250.1602 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.6827  191.3476  255.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9594  190.8016  255.7682 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9921  189.4403  255.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6672  188.7731  257.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7142  187.3890  257.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0471  186.6697  255.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2970  187.3093  254.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3314  188.7130  254.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2961  186.5577  253.5817 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5302  187.1190  252.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4813  186.3575  251.3013 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.8807  186.1297  251.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8998  185.3928  253.0088 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.6426  185.4576  250.9702 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.5160  187.2965  252.1283 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.8331  185.0833  250.9806 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1219  185.1436  253.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8479  184.6672  253.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7196  183.2731  253.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5496  182.6532  254.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5225  183.4323  254.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6196  184.8231  254.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7610  185.4397  254.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5564  185.6616  255.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1509  186.7450  256.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2143  187.4446  257.1592 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.9980  186.2097  257.3935 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.8761  187.6715  255.7939 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.7162  186.2654  254.6296 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.7192  184.8583  256.2694 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.6113  184.6424  251.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 35 41  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <CHROM.1>
-72.35553857,-134.68141548,47.24375372,-63.81849820,-85.11032506,179.35013147
135.20621578,70.65111378,-56.50844592,61.43595601,-54.14526117,-179.27651856
131.87223411,-176.27709616,212.45300064,187.05934412,253.82048680,-0.09780228
0.45649427,0.19098073

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445850/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.43904

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.44878

>  <SCORE.INTRA>
-19.839

>  <SCORE.INTRA.DIHEDRAL>
-14.8137

>  <SCORE.INTRA.DIHEDRAL.0>
29.8015

>  <SCORE.INTRA.POLAR>
-0.750865

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.87926

>  <SCORE.INTRA.VDW.0>
-0.728348

>  <SCORE.INTRA.norm>
-0.483879

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
-0.0350986

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020799

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  184.5417  211.5480  256.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6326  211.8860  254.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7259  211.4778  253.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5203  210.6763  254.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5479  209.3646  253.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5556  208.5165  254.3090 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.0418  208.7478  253.9064 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.8661  207.4263  253.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4689  206.7833  252.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6617  207.1755  253.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0332  208.7037  255.0233 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2266  209.3842  254.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5153  210.0509  253.9286 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1526  209.3254  256.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3510  210.0478  255.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2530  210.0368  257.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9667  209.2961  258.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7856  208.5573  258.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8788  208.5656  257.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8140  212.7295  254.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9856  206.7263  253.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.7803  208.2625  255.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-114.50437435,69.41399880,-75.30006066,-154.27228533,-178.06747855,185.99794143
209.50624682,255.01450219,2.94154389,0.50872528,-2.80856750

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445851/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.11345

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-3.28655

>  <SCORE.INTRA.DIHEDRAL>
-4.42997

>  <SCORE.INTRA.DIHEDRAL.0>
8.06509

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07156

>  <SCORE.INTRA.VDW.0>
-1.36899

>  <SCORE.INTRA.norm>
-0.164327

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.355673

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027997

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  217.5226  180.3380  246.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7116  181.0913  247.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3140  182.4292  247.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1987  183.0936  247.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8331  184.4173  247.9612 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.8518  184.8474  249.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9424  184.1000  249.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1985  182.9133  248.6199 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8883  184.3747  250.2537 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6125  186.0587  249.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4441  187.0593  250.3045 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6107  185.5215  246.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6359  185.8736  246.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4894  186.9180  245.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2903  187.6111  245.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2390  187.2707  245.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3958  186.2253  246.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1421  188.6317  244.2572 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.7971  185.2075  246.0714 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.3064  182.5109  246.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2792  183.0904  245.9342 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7250  181.2252  245.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5841  184.3833  251.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.5250  185.1252  249.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  6  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  3  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-58.48205224,63.37816189,217.36848688,184.61240030,247.13128995,0.89855085
1.04343364,-2.91929566

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445852/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.23781

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-0.162191

>  <SCORE.INTRA.DIHEDRAL>
-0.0148456

>  <SCORE.INTRA.DIHEDRAL.0>
1.21378

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.154768

>  <SCORE.INTRA.VDW.0>
-2.67469

>  <SCORE.INTRA.norm>
-0.0073723

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.328991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  218.7771  184.7684  250.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2662  186.1899  250.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7804  186.2867  251.2935 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.3313  185.6183  250.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.3952  185.7693  252.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8946  185.6029  252.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2903  187.6878  250.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0877  187.9707  249.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7790  187.5157  249.0042 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3952  186.1876  249.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1367  185.3284  249.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9829  185.8569  248.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9039  186.5208  249.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6808  186.3967  250.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6118  187.1021  251.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7850  187.9057  250.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0075  188.0151  249.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0676  187.3200  248.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5224  187.2361  247.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0263  187.8131  246.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6723  187.5482  244.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7979  186.7119  244.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3014  186.1203  245.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6595  186.3930  247.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1252  188.1797  248.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-49.40751671,-167.43690631,76.11169750,84.17652293,-61.14401796,-63.56026608
213.74460177,186.67798530,249.27684468,-0.60976293,0.19678302,-1.53478156

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445853/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56879

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-4.83121

>  <SCORE.INTRA.DIHEDRAL>
3.25917

>  <SCORE.INTRA.DIHEDRAL.0>
2.44638

>  <SCORE.INTRA.POLAR>
-1.43444

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.58369

>  <SCORE.INTRA.VDW.0>
0.807504

>  <SCORE.INTRA.norm>
-0.210053

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.285599

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.032230

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  185.1819  211.0957  251.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4231  210.1893  250.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8606  208.7590  250.9804 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.8747  207.8160  249.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2318  208.6941  251.7087 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3954  209.4012  250.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3047  209.9011  249.8448 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5680  209.5582  251.6747 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6975  209.0719  252.9278 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8103  209.3109  253.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0282  208.7951  254.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0298  208.0645  255.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2364  207.5636  256.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2625  206.8576  257.4398 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5351  206.3947  258.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7431  206.6309  259.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7317  207.3382  258.7115 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4783  207.8039  257.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4566  208.5341  256.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2463  209.0345  255.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1704  209.1768  253.0946 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.3504  208.5703  253.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4729  207.7775  253.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6501  208.9485  255.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9640  208.2980  256.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2205  206.7822  256.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5492  208.8979  257.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4633  208.6175  256.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3349  210.0259  251.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.9166  209.7502  253.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
170.77465378,-53.65926368,-5.07346537,59.80369308,-177.31972670,-1.06320218
-173.91038774,60.17843792,188.25066713,208.52037728,254.49799356,2.11925500
-0.03290694,-1.27896522

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445854/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1487

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-3.25127

>  <SCORE.INTRA.DIHEDRAL>
-1.11983

>  <SCORE.INTRA.DIHEDRAL.0>
3.83699

>  <SCORE.INTRA.POLAR>
-0.235818

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
1.24117e-05

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.88964

>  <SCORE.INTRA.VDW.0>
0.0840938

>  <SCORE.INTRA.norm>
-0.116117

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.362454

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 74 77  0  0  0  0  0  0  0  0999 V2000
  200.8180  199.3484  245.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7036  198.5413  245.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1571  198.4031  246.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0255  199.0912  247.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9857  199.6927  246.4905 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0468  199.2482  248.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0142  198.2740  249.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2643  198.4604  249.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8800  197.1538  250.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9238  196.2414  249.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8002  196.9319  249.2523 N   0  0  0  0  0  0  0  0  0  0  0  0
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  200.6700  194.5081  247.4533 N   0  0  0  0  0  0  0  0  0  0  0  0
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  202.3025  191.5718  244.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
64.20349407,165.70080263,98.03003164,107.37307355,96.02302551,-126.59107864
-117.93102869,116.56047327,91.00328964,82.84499647,96.79485355,118.62973199
90.17439085,92.15269965,-118.56961074,-64.05343351,-67.43292168,-0.19305023
-49.27294633,73.54149513,-176.63852911,30.36074530,179.13907642,57.76392073
-97.64374207,178.69606727,79.12706428,4.10173135,63.60061163,-118.78886807
-179.96017459,101.04438684,-172.53431316,177.67241471,-12.47954196,-179.72147013
200.29608323,194.89363925,246.81021658,0.88099388,-0.54640611,0.35832046

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445855/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.531148

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
61

>  <SCORE.norm>
-0.016577

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  199.1965  191.7267  247.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0273  192.0132  246.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8730  192.6726  246.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
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  194.5493  193.6135  246.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3148  193.9363  245.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
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-2.51312837,-74.52884861,193.39273208,193.46683816,247.42608618,-0.07951133
-0.32789516,2.18812043

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445856/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4741

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03077

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.805697

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044387

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <CHROM.1>
92.11836904,66.65926963,-60.61271304,-160.41369104,-86.14339024,66.82912819
-87.03901525,4.47389076,180.40031376,211.31539449,258.94128837,-1.89480317
0.25987818,0.63845128

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445857/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.21058

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-4.18942

>  <SCORE.INTRA.DIHEDRAL>
3.97446

>  <SCORE.INTRA.DIHEDRAL.0>
4.86883

>  <SCORE.INTRA.POLAR>
-0.48937

>  <SCORE.INTRA.POLAR.0>
-0.153886

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.51279

>  <SCORE.INTRA.VDW.0>
0.741195

>  <SCORE.INTRA.norm>
-0.149622

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.328949

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000104

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  190.2976  206.2468  263.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2267  207.0152  262.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8612  207.9936  261.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7970  208.7793  260.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9976  209.6798  261.3771 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8497  209.1188  262.1761 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.1092  210.0967  263.1020 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.0053  211.2171  263.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7810  211.8714  262.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6009  210.8854  261.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7350  211.2006  261.3281 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7903  210.6993  262.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8274  211.3072  261.5151 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8274  210.5650  263.4315 O   0  5  0  0  0  0  0  0  0  0  0  0
  185.9377  208.1644  261.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4134  208.6497  260.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6847  207.8510  259.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3645  206.5585  259.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7601  206.0966  260.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5482  206.8707  261.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7325  206.1847  262.9524 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1232  206.8135  264.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  6  0  0  0
  7  8  1  0  0  0  0
  7 12  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  1  14  -1
M  END
>  <CHROM.1>
-179.54710399,65.36303383,-81.13771075,-52.98649165,-55.64282329,15.33068635
186.77197329,208.82870074,261.89536314,-0.56299147,0.07015643,-2.99426110

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445866/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.5121

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-0.887925

>  <SCORE.INTRA.DIHEDRAL>
-0.695758

>  <SCORE.INTRA.DIHEDRAL.0>
3.61544

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.540046

>  <SCORE.INTRA.VDW.0>
-3.1649

>  <SCORE.INTRA.norm>
-0.0403602

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.477822

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000666

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  204.4997  188.5548  247.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5946  189.3543  246.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5035  188.8117  245.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6157  187.1282  245.1291 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.0378  187.0449  244.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3611  186.9893  244.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4235  187.0586  243.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1735  187.1887  242.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8612  187.2299  241.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8015  187.1571  242.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5918  190.6769  246.7706 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4263  191.3712  246.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2694  192.0652  245.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
178.25198263,-177.12800233,82.87667192,207.35659055,188.42776384,244.83299837
2.37196855,0.62004411,0.28729417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445867/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.654589

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-9.05459

>  <SCORE.INTRA.DIHEDRAL>
-19.2374

>  <SCORE.INTRA.DIHEDRAL.0>
21.0147

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.564106

>  <SCORE.INTRA.VDW.0>
0.128962

>  <SCORE.INTRA.norm>
-0.696507

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
-0.050353

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026341

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  188.7524  215.9746  260.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3332  214.8877  259.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3192  213.8608  259.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8203  212.7609  258.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7483  213.2299  256.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8468  214.3763  256.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3898  215.6599  256.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5715  215.8960  256.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3019  216.6834  256.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3949  217.9749  257.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2826  218.9058  257.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9280  218.7121  257.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1361  219.8023  257.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6986  221.0752  258.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0665  221.2703  257.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8453  220.1761  257.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2414  220.1037  257.4130 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6658  218.7934  257.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8189  218.4310  257.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1389  221.2363  257.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1355  221.4329  256.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9907  222.1954  255.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2245  220.5976  256.3930 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8065  215.8680  256.3014 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.4841  214.2727  256.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5217  212.9121  256.4794 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.0511  220.7796  255.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0493  219.6365  256.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-177.70506324,68.25934733,-59.58451507,100.32278288,-127.94253732,97.64182464
-164.56910936,187.67947314,217.25729132,257.21252288,-1.70843985,0.02565211
-0.03519296

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445868/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.59258

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-4.80742

>  <SCORE.INTRA.DIHEDRAL>
0.0261737

>  <SCORE.INTRA.DIHEDRAL.0>
6.57243

>  <SCORE.INTRA.POLAR>
-0.914251

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71205

>  <SCORE.INTRA.VDW.0>
-1.64754

>  <SCORE.INTRA.norm>
-0.184901

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.292022

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000474

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  211.4286  187.4883  248.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3109  186.4017  247.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8188  186.8435  245.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0961  186.7765  245.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5193  187.0638  244.0223 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4910  187.4015  243.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7337  187.5110  241.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7358  187.9018  240.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4456  188.1490  241.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1532  187.9813  242.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1636  187.6010  243.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7829  187.3583  244.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6339  187.5637  245.2417 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9257  186.9741  243.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5348  187.9079  242.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8630  187.7647  242.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6482  186.7313  242.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1010  185.8358  243.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7525  185.9401  244.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0861  186.4298  246.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8397  187.0332  246.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
86.78334353,-132.93971315,-140.72434825,213.08825307,187.17598677,244.04684223
-2.85232966,0.16290763,-1.36960712

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445869/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.61183

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
0.211834

>  <SCORE.INTRA.DIHEDRAL>
2.26681

>  <SCORE.INTRA.DIHEDRAL.0>
6.37531

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.921572

>  <SCORE.INTRA.VDW.0>
0.146455

>  <SCORE.INTRA.norm>
0.0105917

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.380592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004771

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  196.5452  207.7001  251.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0530  206.3212  251.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6602  206.0950  250.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1378  204.8117  249.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9986  203.7907  250.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4050  203.9754  252.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9333  205.2645  252.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5163  202.6225  250.3828 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9916  202.8966  249.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7826  204.2381  248.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1569  204.9224  247.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5996  201.8794  248.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9723  202.1118  247.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7520  200.6153  248.8281 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4011  199.6122  248.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9232  199.5741  248.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5940  200.8965  247.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6596  201.8866  248.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1993  203.1500  248.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7004  203.4259  247.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6676  202.4260  246.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1086  201.1766  246.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1835  204.6945  247.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7543  205.3709  245.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2637  204.1725  249.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1036  204.4301  250.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5268  200.4555  249.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
176.64474476,86.49910411,-53.98150753,79.37027914,-45.32897725,-132.36554188
200.47092452,203.39762796,248.93419782,-2.62589458,-0.53341714,-2.97494750

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445870/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.18824

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-3.21176

>  <SCORE.INTRA.DIHEDRAL>
4.97287

>  <SCORE.INTRA.DIHEDRAL.0>
1.94721

>  <SCORE.INTRA.POLAR>
0.000568385

>  <SCORE.INTRA.POLAR.0>
-0.00128471

>  <SCORE.INTRA.REPUL>
-0.0163744

>  <SCORE.INTRA.REPUL.0>
0.0163744

>  <SCORE.INTRA.VDW>
-5.61826

>  <SCORE.INTRA.VDW.0>
3.4789

>  <SCORE.INTRA.norm>
-0.123529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.314932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  212.0644  204.4963  238.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1955  203.6740  237.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8420  203.3051  238.4651 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.0205  202.4041  237.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8993  203.2095  237.2155 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9754  204.4273  237.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1952  205.3642  237.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0439  204.4833  238.6193 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8247  203.0703  235.8033 P   0  0  1  0  0  0  0  0  0  0  0  0
  208.0046  203.1931  234.8361 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6283  201.4520  236.1768 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5728  200.8972  236.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4723  201.3567  238.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5448  202.9047  234.1214 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.1823  204.5422  233.3941 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5137  205.4267  234.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4802  205.2274  232.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1463  204.5042  231.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  6  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-176.06869012,-56.66125504,94.06110775,53.07158815,-61.91988119,-59.45862365
66.77190777,207.37038973,203.48373467,236.10399729,-0.67092161,-0.53283781
-0.96046661

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445871/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.65956

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-4.74044

>  <SCORE.INTRA.DIHEDRAL>
-1.80806

>  <SCORE.INTRA.DIHEDRAL.0>
3.71304

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.83641

>  <SCORE.INTRA.VDW.0>
1.07347

>  <SCORE.INTRA.norm>
-0.263358

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.425531

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.069384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 49  0  0  0  0  0  0  0  0999 V2000
  186.6221  209.7424  249.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5218  210.2196  251.2425 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.8649  208.9557  251.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8154  207.7120  251.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2950  208.0405  251.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7480  209.3238  251.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8184  210.3795  252.0578 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.5211  211.7194  252.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5869  212.6982  252.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4139  212.8715  251.8679 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.6840  211.5369  251.3751 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.0334  211.9689  250.0451 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.8890  212.8343  250.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0371  213.8006  251.6989 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.4716  214.0761  252.1287 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.3113  214.6999  253.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7893  214.7065  253.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2561  213.4359  253.1385 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.6067  212.2499  254.4081 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.3062  210.6200  254.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9457  210.1629  254.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.5045  208.5299  253.9289 Si  0  0  0  0  0  0  0  0  0  0  0  0
  182.3756  207.6482  252.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8945  207.4081  255.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6584  208.2015  253.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0429  212.1850  254.7834 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6675  211.1286  255.9380 Si  0  0  0  0  0  0  0  0  0  0  0  0
  184.6163  211.0278  257.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1699  209.3078  255.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4495  211.6947  256.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8275  213.5134  252.8127 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.4299  213.6389  253.8008 Si  0  0  0  0  0  0  0  0  0  0  0  0
  180.3371  215.2830  254.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9669  213.1899  252.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9268  212.4884  255.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4500  215.1900  251.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0135  212.6251  249.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0048  213.3336  247.7750 Si  0  0  0  0  0  0  0  0  0  0  0  0
  187.7550  213.8090  247.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4464  211.9549  246.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7937  214.7154  247.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0814  207.0137  251.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6969  207.2198  250.7711 Si  0  0  0  0  0  0  0  0  0  0  0  0
  191.7627  208.0189  252.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2840  205.4820  250.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8392  208.4054  249.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 42  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
M  END
>  <CHROM.1>
173.80144005,-179.59458147,-76.60436753,-163.28168793,-57.99979054,-178.75624181
-179.91649972,-62.38223165,-43.95384361,65.86678984,-173.17006672,54.89060673
185.18706797,211.13181046,252.28594470,-0.04934418,0.57302054,-0.76492257

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445872/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3578

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.378261

>  <SCORE.INTRA>
-12.0422

>  <SCORE.INTRA.DIHEDRAL>
-16.3986

>  <SCORE.INTRA.DIHEDRAL.0>
18.8934

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.84292

>  <SCORE.INTRA.VDW.0>
-3.94201

>  <SCORE.INTRA.norm>
-0.261787

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.116474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017356

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  209.8028  193.5275  256.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7283  195.0161  256.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2076  195.8655  257.6742 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2607  195.9800  258.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8018  197.2790  257.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6427  197.3010  256.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8083  197.4902  255.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2695  197.0134  256.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9590  195.5277  256.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
72.86077173,63.51329826,-103.61660008,-87.58135269,208.38986011,196.08967392
256.86104995,0.53420346,0.41931602,-3.11212063

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445873/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.21253

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-1.18747

>  <SCORE.INTRA.DIHEDRAL>
1.44147

>  <SCORE.INTRA.DIHEDRAL.0>
2.50162

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.9082

>  <SCORE.INTRA.VDW.0>
1.88455

>  <SCORE.INTRA.norm>
-0.131941

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.912503

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  195.3644  213.5972  256.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7647  215.0180  256.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0764  215.7264  254.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2451  214.8354  256.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3232  215.8350  257.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7508  216.5448  258.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3616  216.8126  258.9295 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4032  217.2571  260.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5252  217.6432  261.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7846  217.5665  260.4226 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8503  216.9612  259.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0270  216.6630  258.6969 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6876  216.0032  257.5782 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5548  218.1603  262.3029 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0644  217.3157  261.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9537  217.3645  261.6822 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7728  217.9056  258.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4913  217.8031  257.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0121  218.7833  256.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7584  219.9313  256.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9717  220.1196  256.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4785  219.1142  257.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1626  221.1352  255.2681 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.3817  216.5358  257.8481 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.4386  215.6505  256.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0625  219.0298  262.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4058  217.4483  263.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  6  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  3  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-125.13825647,132.15036561,-61.77940700,193.35895744,217.42861375,258.02534168
-0.33428557,0.71707078,-1.68128502

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445890/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.82062

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.579381

>  <SCORE.INTRA.DIHEDRAL>
-0.706573

>  <SCORE.INTRA.DIHEDRAL.0>
1.98029

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.226095

>  <SCORE.INTRA.VDW.0>
-2.89088

>  <SCORE.INTRA.norm>
-0.0241409

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.325859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  187.3111  215.3578  262.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8840  214.4108  261.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7843  215.1410  259.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3508  214.1978  258.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2526  214.9624  257.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8182  214.0601  256.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7184  214.8443  254.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5719  214.7623  254.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5197  215.7528  254.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2645  214.9471  254.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0475  215.8389  254.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-179.81066460,179.62482612,-179.82499806,179.60598387,104.15542391,-75.40858295
179.72183134,185.59196608,214.94167674,257.15416929,1.13327419,-0.27492284
1.49968152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445891/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.5261

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.12727

>  <SCORE.INTRA>
-0.873876

>  <SCORE.INTRA.DIHEDRAL>
-0.307788

>  <SCORE.INTRA.DIHEDRAL.0>
3.0087

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.719982

>  <SCORE.INTRA.VDW.0>
-0.098788

>  <SCORE.INTRA.norm>
-0.0794432

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
1.04783

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040652

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 23  0  0  0  0  0  0  0  0999 V2000
  212.3349  203.8991  242.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9803  203.0968  241.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7028  203.5990  240.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4272  203.0551  241.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2960  202.0138  242.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0582  201.5113  242.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8808  202.0364  242.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6478  201.5283  242.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4462  202.0396  242.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4664  203.0628  241.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6898  203.5655  240.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9408  203.0735  241.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2325  203.5661  240.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3727  204.5607  239.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6092  205.0717  239.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6546  206.0506  238.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8637  206.5905  237.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0455  206.1563  238.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0111  205.1783  239.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7969  204.6056  239.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 20  1  0  0  0  0
  3  4  2  0  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-89.86285002,208.91042534,203.71595889,240.70192249,-0.58708722,0.12173322
2.28717720

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445892/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36995

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.0300509

>  <SCORE.INTRA.DIHEDRAL>
-0.0179365

>  <SCORE.INTRA.DIHEDRAL.0>
0.728951

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0210826

>  <SCORE.INTRA.VDW.0>
-0.510989

>  <SCORE.INTRA.norm>
-0.00150254

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.318497

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.090595

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  223.9342  185.5601  246.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8276  185.1376  247.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1806  184.9500  246.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6422  185.1860  245.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7479  185.6106  244.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3971  185.7968  244.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1479  186.3736  243.6158 Br  0  0  0  0  0  0  0  0  0  0  0  0
  226.1773  185.8485  243.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.4775  184.9368  245.1637 Br  0  0  0  0  0  0  0  0  0  0  0  0
  227.0626  184.5372  247.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1724  184.8238  248.9545 Br  0  0  0  0  0  0  0  0  0  0  0  0
  226.9301  185.2558  243.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.7208  184.8210  248.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-26.57789930,30.28089530,225.40070218,185.35858278,245.88306631,1.42308971
-0.18807008,1.81639756

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445893/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.92698

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.490909

>  <SCORE.INTRA>
-0.473024

>  <SCORE.INTRA.DIHEDRAL>
2.18181

>  <SCORE.INTRA.DIHEDRAL.0>
0.000162948

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.56393

>  <SCORE.INTRA.VDW.0>
2.18427

>  <SCORE.INTRA.norm>
-0.0430022

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.447907

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000362

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  208.2126  210.1270  248.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3481  209.0055  247.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2276  207.9808  247.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9808  208.0694  248.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8323  209.1995  249.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9531  210.2227  249.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9107  206.9535  249.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2846  205.8875  250.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0899  205.2150  249.5549 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8534  205.7938  249.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6905  206.8275  250.3145 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6908  205.1168  249.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5134  205.7169  249.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2688  205.0942  248.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2705  203.9888  248.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0680  203.3801  247.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8595  203.8662  248.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8814  204.9026  249.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0725  205.5464  249.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6346  203.2356  247.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4849  204.0167  247.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4333  205.2366  247.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2404  203.2860  247.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4165  201.9027  247.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3820  201.0988  246.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1424  201.6690  246.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9437  203.0314  246.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9857  203.8461  247.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5921  205.6970  247.1714 Br  0  0  0  0  0  0  0  0  0  0  0  0
  205.5238  203.4347  247.6277 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7391  203.8675  248.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7862  203.2648  248.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2048  204.4031  248.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 31  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-91.65300477,56.54613007,-81.86398121,176.79140802,-146.43694860,3.98200903
-2.16376499,203.11655572,205.25919526,248.09107839,0.25817183,-0.15309396
0.01991103

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445895/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.61643

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-2.78357

>  <SCORE.INTRA.DIHEDRAL>
-4.4588

>  <SCORE.INTRA.DIHEDRAL.0>
7.82079

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.554174

>  <SCORE.INTRA.VDW.0>
-1.22129

>  <SCORE.INTRA.norm>
-0.0869867

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.300513

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000335

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 36  0  0  0  0  0  0  0  0999 V2000
  208.3844  200.6528  242.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1700  201.3078  243.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7035  200.3996  244.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3774  202.8358  243.5768 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0647  203.4549  244.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1693  204.9793  244.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2510  205.5695  245.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2120  207.0456  245.0922 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6432  207.6970  246.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5376  207.6211  244.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0825  207.2365  243.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1675  207.7210  242.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5625  208.7981  241.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7701  209.2456  240.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5284  208.6268  240.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1377  207.5456  241.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9556  207.0874  242.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7671  209.1151  239.2184 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1288  208.1493  238.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1640  210.2844  239.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9892  211.5870  240.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4380  202.9011  244.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2499  202.9393  245.4861 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8284  203.6698  242.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9362  203.8713  241.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2827  204.5466  240.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5987  205.0137  239.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5038  204.8752  241.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1006  204.2319  242.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8295  205.2446  241.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1827  206.5540  240.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0892  205.5758  238.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4086  206.6697  238.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3586  204.6777  239.1167 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2496  203.5800  238.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4 22  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  3  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
178.08998787,-168.37753308,67.74356938,-63.38128771,176.62705305,106.62966465
67.08049379,60.24693224,107.46005329,-77.99658990,137.62311115,-84.34874812
52.89016017,49.53907698,207.73697549,205.78844969,241.81906213,0.14423136
1.54907512,-2.29165667

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445896/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.43168

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.554286

>  <SCORE.INTRA>
-11.9683

>  <SCORE.INTRA.DIHEDRAL>
17.3324

>  <SCORE.INTRA.DIHEDRAL.0>
4.62957

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-20.6345

>  <SCORE.INTRA.VDW.0>
17.3405

>  <SCORE.INTRA.norm>
-0.341952

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.212334

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000367

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  211.0287  182.5267  242.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2358  182.7122  244.3808 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7317  182.6316  244.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4623  183.8340  244.3570 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8721  185.1159  244.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3681  185.1914  244.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6274  183.9838  244.8447 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4749  184.1445  245.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1285  185.2516  246.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6246  182.9826  246.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8578  181.6709  245.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0660  180.6161  246.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9713  180.8742  246.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6658  182.1866  247.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4917  183.2355  246.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4521  183.7538  243.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2032  184.8781  243.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2115  184.7210  242.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4992  183.5861  241.5699 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7337  182.5463  241.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7389  182.5752  242.8089 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1950  181.0148  241.1259 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.8054  180.0585  242.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7319  179.3099  243.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7216  178.0783  243.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7219  180.0877  243.8371 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4130  179.5984  244.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9438  179.2371  245.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6426  178.7508  245.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8161  178.5969  244.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2793  178.9583  243.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5618  179.4816  242.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0055  179.8111  241.7071 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.2679  186.0223  241.8380 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.8228  181.0958  243.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
-174.79375143,-4.10864707,111.70024363,85.98835398,113.97313402,150.96438035
103.74658091,212.83085027,182.13072771,243.83525006,3.09603155,-0.47570538
-3.09540802

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445897/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.88332

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-8.51668

>  <SCORE.INTRA.DIHEDRAL>
-7.17045

>  <SCORE.INTRA.DIHEDRAL.0>
12.9751

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.53146

>  <SCORE.INTRA.VDW.0>
-2.85351

>  <SCORE.INTRA.norm>
-0.250491

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.114215

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000281

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  192.8474  225.0144  255.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5832  224.1752  254.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8835  224.9015  254.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9081  222.8058  255.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6708  224.0268  253.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0254  224.4282  252.5162 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2964  223.3791  253.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3666  221.9604  253.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8497  221.2782  252.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2452  221.7517  251.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0050  219.8390  253.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6205  219.3190  254.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7733  217.9400  254.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3414  217.0964  253.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7384  217.6331  252.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5687  218.9912  252.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6220  215.4056  254.0351 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.3188  217.4548  256.0931 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.8160  217.9709  257.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4117  216.5964  256.1047 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  2  18   1  20  -1
M  END
>  <CHROM.1>
120.65655686,-74.25010027,-64.15536923,1.66579488,3.08485714,192.36047210
220.27679143,254.23322999,0.56745033,1.39239589,0.92252490

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445898/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.26247

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-6.13753

>  <SCORE.INTRA.DIHEDRAL>
-11.7094

>  <SCORE.INTRA.DIHEDRAL.0>
13.3213

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.282831

>  <SCORE.INTRA.VDW.0>
2.52447

>  <SCORE.INTRA.norm>
-0.306877

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.213123

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000700

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 44  0  0  0  0  0  0  0  0999 V2000
  196.5761  210.8129  254.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2718  211.9843  254.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7808  212.1772  252.9476 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3548  212.7945  254.6368 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9963  213.9803  253.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1817  214.9503  253.7668 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1610  215.6195  252.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9487  216.8186  252.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3531  214.7533  251.3261 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4186  215.2017  249.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2813  216.1610  249.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4183  217.2217  249.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0973  215.6447  250.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9557  216.5131  250.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1342  217.6957  250.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1051  217.5240  252.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2097  218.6260  253.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3437  219.9044  252.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3724  220.0831  251.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2672  218.9836  250.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1595  215.9713  254.8243 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0709  215.9803  255.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0433  215.2270  255.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8285  217.0669  256.9205 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5167  216.6888  258.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2608  217.7428  259.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0958  218.5419  259.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9817  217.6476  259.7322 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6273  218.6367  260.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3406  218.3425  256.4234 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7718  218.9846  255.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7823  218.5836  254.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4532  220.1251  255.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0458  220.8363  253.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2964  220.0509  252.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2841  219.0615  252.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5007  218.3158  251.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7683  218.5722  250.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8111  219.5820  250.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5766  220.3181  251.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6075  213.7874  251.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5888  216.8035  254.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2712  218.6523  256.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 43  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <CHROM.1>
178.72726506,-66.01818491,142.91049448,113.05354770,109.08971507,-47.36233739
133.48130475,170.48851771,-63.60851708,-70.31397751,158.74738538,-179.16459898
67.16751178,-107.38437569,-178.04049410,173.80013323,-64.38882288,-24.64505638
196.03044852,217.03605023,253.69446976,-0.04227909,1.32217492,-3.11780185

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445899/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0234

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.585

>  <SCORE.INTRA>
-13.3766

>  <SCORE.INTRA.DIHEDRAL>
-7.02128

>  <SCORE.INTRA.DIHEDRAL.0>
21.6451

>  <SCORE.INTRA.POLAR>
-1.58637

>  <SCORE.INTRA.POLAR.0>
-0.00339263

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.47224

>  <SCORE.INTRA.VDW.0>
-2.94058

>  <SCORE.INTRA.norm>
-0.334414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.250586

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022759

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  202.2994  198.9501  244.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6874  198.6961  243.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8030  199.2797  244.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0329  199.0070  243.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1786  198.4001  242.7392 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0993  199.6303  244.4026 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1006  201.0267  244.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1519  201.7346  243.3723 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9731  203.0713  243.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5838  203.7492  244.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2759  202.9380  245.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6603  201.5824  245.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8095  203.3191  246.5194 S   0  5  0  0  0  0  0  0  0  0  0  0
  206.1434  205.0826  244.5063 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6422  203.6759  242.1744 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9214  199.2666  243.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1621  205.3011  244.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7279  205.6709  245.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2186  204.5842  242.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.9918  203.0703  241.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  1  13  -1
M  END
>  <CHROM.1>
-179.94906828,5.00185280,-55.86723611,-65.60305442,160.24466813,105.03101092
205.76353837,201.46640224,244.38350507,1.89796784,-0.64282681,-2.73621042

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445900/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.97627

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-6.42373

>  <SCORE.INTRA.DIHEDRAL>
-10.97

>  <SCORE.INTRA.DIHEDRAL.0>
13.0855

>  <SCORE.INTRA.POLAR>
-0.265766

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0351073

>  <SCORE.INTRA.VDW.0>
-0.736336

>  <SCORE.INTRA.norm>
-0.428249

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.331751

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000426

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  190.6439  213.6756  262.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6033  213.4105  260.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0184  214.4821  260.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1059  215.1935  260.5517 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4878  216.1842  259.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8187  216.4582  258.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7543  215.7372  258.1090 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3722  214.7452  258.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2620  214.0160  258.4451 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7466  214.6961  258.7272 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.7129  215.9402  257.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7283  213.6837  258.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7729  215.1315  260.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2650  214.2364  261.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2344  214.6065  262.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6813  215.8671  263.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2932  216.7000  262.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3227  216.3487  260.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7218  216.1972  264.5135 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3770  213.7793  257.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.0368  216.8963  264.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.6520  216.4232  264.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
42.23644908,97.50287925,64.75810399,-94.03263795,-110.73955249,189.12054927
215.06697232,260.30874060,-2.20226644,-0.08727143,-1.69351907

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445901/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.71411

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-1.68589

>  <SCORE.INTRA.DIHEDRAL>
1.49948

>  <SCORE.INTRA.DIHEDRAL.0>
2.66825

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.43563

>  <SCORE.INTRA.VDW.0>
-0.937987

>  <SCORE.INTRA.norm>
-0.0887311

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.458637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000315

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  192.3836  215.9725  256.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8119  215.1567  255.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2455  215.8506  254.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0693  216.5103  253.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5300  217.2060  252.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1559  217.2816  252.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3266  216.6183  253.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8460  215.8347  254.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9498  215.0440  255.4487 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2767  214.3594  256.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1607  213.6606  257.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1316  213.8746  256.1348 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5926  214.7311  255.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5908  215.2567  253.9221 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.8544  213.9432  252.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2901  213.9695  252.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5828  214.4097  251.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1828  213.4225  253.1213 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5753  213.3838  252.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2163  213.9376  251.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6095  213.8712  251.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3582  213.2234  252.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7200  212.6708  253.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3395  212.7825  253.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7298  212.2417  255.0166 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.8048  212.8469  253.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
72.64524995,9.65885247,89.48811566,-66.60082003,-104.57593285,1.72742523
189.88083946,214.60621008,254.05949277,-0.15235391,-0.02300379,1.46193544

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445902/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.80348

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-6.59652

>  <SCORE.INTRA.DIHEDRAL>
-0.770622

>  <SCORE.INTRA.DIHEDRAL.0>
11.1338

>  <SCORE.INTRA.POLAR>
0.00971282

>  <SCORE.INTRA.POLAR.0>
-0.00971282

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.24423

>  <SCORE.INTRA.VDW.0>
-1.03064

>  <SCORE.INTRA.norm>
-0.263861

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.192139

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  175.6519  125.0677  265.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.1458  124.8268  267.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.6817  123.7520  267.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.1339  123.5604  269.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.0578  124.4367  269.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5550  125.4889  269.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.0941  125.6898  267.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5230  124.3136  271.1809 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.0953  123.3850  272.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.2394  122.5172  271.9447 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.8163  123.4906  273.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.3951  124.6659  274.1983 N   0  0  0  0  0  0  0  0  0  0  0  0
  176.6777  124.5774  275.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.2236  126.0071  275.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.2936  126.8489  274.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.7040  125.9659  273.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2316  126.3219  272.8115 O   0  0  0  0  0  0  0  0  0  0  0  0
  174.5354  122.6205  267.3426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  178.1679  125.0234  271.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-3.83464228,72.58722334,114.29754829,176.60807502,124.48167009,270.86997559
-2.06428692,1.07915490,1.81385943

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445903/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.91577

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-1.48423

>  <SCORE.INTRA.DIHEDRAL>
-0.331243

>  <SCORE.INTRA.DIHEDRAL.0>
4.008

>  <SCORE.INTRA.POLAR>
-0.418101

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.102935

>  <SCORE.INTRA.VDW.0>
-1.36286

>  <SCORE.INTRA.norm>
-0.0824572

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.384209

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  206.9885  216.5262  250.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9121  217.6353  250.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6449  218.1584  249.3492 N   0  0  1  0  0  0  0  0  0  0  0  0
  210.0755  217.7987  249.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3149  217.0382  248.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1787  216.9012  247.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0478  217.5878  248.1040 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.8463  216.7269  248.5318 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.6116  217.4039  248.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0358  216.3281  246.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1424  215.2334  246.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5367  217.5017  247.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5311  214.5740  246.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
122.04831966,-178.76011125,-60.82056734,208.18858355,216.99957589,248.30813964
1.96432967,0.12328724,1.11247503

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445904/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.55499

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.845008

>  <SCORE.INTRA.DIHEDRAL>
-1.0622

>  <SCORE.INTRA.DIHEDRAL.0>
1.3885

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.313909

>  <SCORE.INTRA.VDW.0>
-0.405978

>  <SCORE.INTRA.norm>
-0.0768189

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.504999

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001436

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  188.9255  211.0044  250.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8366  211.5947  251.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5248  210.7607  252.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2932  209.3901  252.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0149  208.9378  253.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7034  207.7190  254.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5017  207.7881  255.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6029  208.9664  256.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9130  210.1731  255.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1047  210.1022  254.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4100  211.1813  253.7434 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0289  211.4431  256.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0346  212.2528  256.2412 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.9047  212.2081  256.6431 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.2995  211.2333  258.0077 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.5387  206.3070  253.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2457  205.3356  254.7358 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.5449  206.2518  252.9240 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.6666  205.8916  253.2138 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.3860  208.8457  251.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7017  209.6385  249.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7922  209.0121  248.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5829  207.7000  248.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2512  206.8335  249.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0681  205.6330  249.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1588  207.4695  250.8536 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.77193352,142.22706687,188.08635917,208.95042726,253.29588322,-1.40557439
1.34399331,0.87915370

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445906/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.63079

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-2.76921

>  <SCORE.INTRA.DIHEDRAL>
-0.00427995

>  <SCORE.INTRA.DIHEDRAL.0>
1.4409

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.76707

>  <SCORE.INTRA.VDW.0>
1.14798

>  <SCORE.INTRA.norm>
-0.106508

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.178107

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002612

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  197.6209  205.7487  247.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9749  206.2066  248.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1005  206.9606  249.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3588  207.3830  249.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5184  207.0821  249.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3789  206.3867  247.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1268  205.9253  247.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8162  207.4571  249.4162 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1367  208.1351  250.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3231  208.4593  251.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5883  208.5985  250.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0994  209.6549  249.8364 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3143  210.9274  250.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2264  209.3679  248.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9953  208.2106  248.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6335  210.4103  247.4003 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1442  210.6459  247.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9394  210.3066  246.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2667  209.1719  245.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5010  210.6481  246.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1905  211.8801  246.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7050  213.1140  246.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6908  214.2407  247.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1727  214.1455  248.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5823  212.9507  249.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5477  211.8381  248.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7484  210.4169  248.8001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.2876  213.2201  245.3736 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.5998  207.1665  248.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
1.62032103,67.73177011,108.21836687,81.21436013,-70.47172228,43.48197517
62.98255412,202.99850096,209.68229160,248.26369182,2.28089952,0.29879302
2.62303723

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445908/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39299

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-7.00701

>  <SCORE.INTRA.DIHEDRAL>
-0.566534

>  <SCORE.INTRA.DIHEDRAL.0>
5.59266

>  <SCORE.INTRA.POLAR>
-0.415695

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.31038

>  <SCORE.INTRA.VDW.0>
-0.267826

>  <SCORE.INTRA.norm>
-0.25025

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.192607

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000085

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 40  0  0  0  0  0  0  0  0999 V2000
  210.8217  198.1641  254.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1122  199.4789  255.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3053  199.2453  256.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6468  198.9987  255.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5422  198.8761  257.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0900  198.9623  258.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7379  199.1859  258.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8572  199.3548  257.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5068  199.6903  257.6023 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9698  199.8708  256.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7071  200.3714  256.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8907  200.5543  257.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7325  200.9760  258.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8248  199.9586  258.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9532  200.6550  254.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4311  200.3730  253.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9164  200.6702  252.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6254  200.2641  251.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3129  200.0904  249.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2433  200.2444  248.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5953  200.8881  247.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4719  201.7539  246.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5310  202.4752  247.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5193  201.7925  249.3210 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.8443  200.5437  249.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5376  199.6989  249.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7827  200.7170  250.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5481  200.7108  250.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0633  201.9163  251.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7973  203.1136  251.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9796  203.1552  250.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4118  201.9580  250.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8595  198.3013  250.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5955  199.5265  248.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4648  200.6051  254.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 32  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  CHG  1  24   1
M  END
>  <CHROM.1>
3.53290248,179.56320361,-0.09303284,207.99725995,200.37006288,253.05074846
-0.81544571,0.27225513,-1.61344640

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445909/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.683589

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.24

>  <SCORE.INTRA>
-7.71641

>  <SCORE.INTRA.DIHEDRAL>
-13.6561

>  <SCORE.INTRA.DIHEDRAL.0>
13.8373

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.888354

>  <SCORE.INTRA.VDW.0>
-0.231283

>  <SCORE.INTRA.norm>
-0.220469

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0195311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 56 60  0  0  0  0  0  0  0  0999 V2000
  192.9507  216.7992  251.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3550  216.6713  252.6228 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.5419  216.4919  253.6690 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1309  216.5943  255.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1099  215.8027  255.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9151  215.7458  257.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7246  216.4913  257.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6561  217.3740  257.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8212  217.4615  256.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1466  215.2085  253.4477 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3819  217.8199  252.8349 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2087  217.3019  253.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0528  218.9653  253.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2922  220.2024  254.1145 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.2952  221.2074  254.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9551  220.5557  255.9592 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.9507  220.1151  256.8565 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0338  219.2358  256.2369 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.3660  219.8515  255.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0414  218.7479  257.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7679  218.3528  256.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8769  217.8081  257.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2023  217.7173  259.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4924  218.0851  259.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4120  218.5625  258.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1652  217.3872  260.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6517  216.0631  260.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6711  215.6104  260.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1616  216.4843  261.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6182  217.8049  261.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6256  218.2869  261.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0823  219.7310  261.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2014  220.5098  260.0178 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.4265  221.0181  259.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4359  220.9491  260.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4176  221.6263  258.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7188  222.3456  257.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6734  223.0135  256.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9308  223.8333  256.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9665  225.1107  257.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0762  226.0638  256.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4511  225.5052  256.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1529  225.7680  257.8124 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8486  224.6389  255.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8581  221.4475  256.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2399  221.4523  256.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0919  222.2148  257.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5792  222.9920  258.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2040  222.9494  258.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3523  222.1923  257.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5161  223.7897  259.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9171  224.9984  258.6138 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8637  215.1302  254.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.4029  220.5509  259.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7319  224.2603  256.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1104  225.5260  258.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 54  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 55  1  0  0  0  0
 45 50  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 48 51  1  0  0  0  0
 49 50  2  0  0  0  0
 51 52  1  0  0  0  0
 52 56  1  0  0  0  0
M  END
>  <CHROM.1>
169.88672118,139.78644864,54.26547314,-179.85036549,-167.68699433,179.35376389
-95.19312653,153.34910454,68.73809384,47.78460107,-117.15858006,171.96199069
-177.39929206,174.84929928,-70.98559489,-169.11350746,-68.04138692,-97.28360116
-179.97814654,79.44037667,62.40959569,191.26815525,219.94473923,257.16299393
-0.40299522,-0.66219070,-2.62469957

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445910/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.76882

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-18.6312

>  <SCORE.INTRA.DIHEDRAL>
4.01601

>  <SCORE.INTRA.DIHEDRAL.0>
11.3672

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-17.2392

>  <SCORE.INTRA.VDW.0>
2.30989

>  <SCORE.INTRA.norm>
-0.358292

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.0917082

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.054201

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  203.6310  192.8305  248.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3498  193.5683  247.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4351  194.5630  247.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1317  195.3702  246.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4305  196.5204  246.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8784  197.1721  247.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8754  196.7843  248.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3004  198.4498  247.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6891  199.4277  248.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2258  200.5753  247.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3843  200.7200  246.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0049  199.7231  245.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4486  198.5989  246.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1233  197.4365  245.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3532  197.3247  244.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6398  194.8541  245.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5470  193.8531  245.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0020  193.2253  246.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2453  192.4019  246.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0851  190.9041  246.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9767  190.1390  245.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6256  188.8345  245.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4201  188.3066  245.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6288  189.0943  246.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9287  190.3716  246.6827 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0688  193.4028  243.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 18  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
94.36966053,143.11246012,202.49899852,194.75629360,246.42128900,0.24517796
-1.07040213,1.93958066

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445911/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.15149

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.248515

>  <SCORE.INTRA.DIHEDRAL>
-0.183727

>  <SCORE.INTRA.DIHEDRAL.0>
2.6111

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.156651

>  <SCORE.INTRA.VDW.0>
-1.34254

>  <SCORE.INTRA.norm>
-0.00955825

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.275057

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015273

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 12  0  0  0  0  0  0  0  0999 V2000
  199.6285  221.1332  259.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0732  221.7814  260.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8532  222.0560  261.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5552  222.6656  263.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7047  222.6227  263.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7187  221.9926  263.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1749  221.6258  261.9164 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7602  220.9591  260.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0200  220.7048  259.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7322  223.2353  265.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3945  224.9776  265.0680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-60.61223138,200.49728866,222.54308489,262.67466849,1.57110987,0.44119616
-2.18868678

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445912/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.22872

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-1.17128

>  <SCORE.INTRA.DIHEDRAL>
-2.19282

>  <SCORE.INTRA.DIHEDRAL.0>
2.43831

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0748706

>  <SCORE.INTRA.VDW.0>
-0.372163

>  <SCORE.INTRA.norm>
-0.10648

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.475338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001874

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  194.3337  210.1058  249.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8041  210.6360  250.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3296  211.6728  251.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7721  209.8273  251.1573 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5481  208.9005  252.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5861  209.3718  253.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2198  208.5514  254.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7421  207.2527  254.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7178  206.7308  253.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2252  207.5469  252.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1180  206.5400  250.2825 I   0  0  0  0  0  0  0  0  0  0  0  0
  194.0786  205.4256  252.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6110  205.4156  251.4906 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1005  204.4608  253.5026 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.1130  206.2210  256.0882 I   0  0  0  0  0  0  0  0  0  0  0  0
  196.1872  211.3393  253.9843 I   0  0  0  0  0  0  0  0  0  0  0  0
  196.7199  210.1858  251.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  14  -1
M  END
>  <CHROM.1>
-102.53223717,-84.68692644,149.06636862,195.24186577,208.06930194,253.05624132
-0.18289465,-1.28341245,-2.31707485

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445913/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.44455

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-2.95545

>  <SCORE.INTRA.DIHEDRAL>
-3.82284

>  <SCORE.INTRA.DIHEDRAL.0>
7.94146

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.04403

>  <SCORE.INTRA.VDW.0>
-1.30015

>  <SCORE.INTRA.norm>
-0.184716

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.340284

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  201.6585  217.3056  243.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0048  217.6447  245.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6929  218.4003  245.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8581  219.6644  244.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5930  219.3283  242.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8932  218.5651  243.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4885  220.3889  243.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6826  221.7628  243.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3644  222.4761  242.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4285  221.5919  242.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1599  220.2838  242.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4572  219.5336  243.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
170.90176586,199.10598183,219.74205147,243.53863604,0.69711741,-0.12010486
2.62033879

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445930/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36782

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0321837

>  <SCORE.INTRA.DIHEDRAL>
0.163638

>  <SCORE.INTRA.DIHEDRAL.0>
0.350809

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.114003

>  <SCORE.INTRA.VDW.0>
0.637681

>  <SCORE.INTRA.norm>
-0.00268197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.530651

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005716

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  217.0337  189.1649  250.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8606  189.5177  251.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3217  190.5473  252.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6909  190.0982  250.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2312  187.8300  252.5725 Si  0  0  0  0  0  0  0  0  0  0  0  0
  214.6319  186.6092  251.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7535  187.1169  253.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0122  188.1789  253.6812 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7146  188.5678  253.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9352  188.9631  254.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6283  189.4218  254.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1063  189.5119  253.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8626  189.0665  251.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1523  188.5863  252.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8374  190.0069  252.9296 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6941  191.1188  252.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-61.50958649,69.76722292,-171.97515574,125.62625171,213.32328752,188.94810861
252.55251159,-0.06749454,0.24783615,-0.75625169

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445931/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.05899

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-0.341012

>  <SCORE.INTRA.DIHEDRAL>
2.17501

>  <SCORE.INTRA.DIHEDRAL.0>
1.2659

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.42852

>  <SCORE.INTRA.VDW.0>
1.02019

>  <SCORE.INTRA.norm>
-0.0213132

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.566187

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003573

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  207.8887  189.6541  247.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7480  189.2748  248.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1522  190.6856  248.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1894  191.7873  248.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4576  192.2016  247.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1301  192.2519  250.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1908  193.3260  250.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3969  192.9960  251.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2892  192.6116  252.7350 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2545  191.5581  252.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0284  191.8627  251.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1706  193.0265  254.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9348  192.6181  254.9315 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0438  193.9920  254.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4781  195.3391  254.2812 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8458  195.7533  253.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9412  196.2697  252.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3778  196.6632  250.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7252  196.5506  250.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6758  196.0498  251.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0539  195.9250  251.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9672  195.4386  252.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5306  195.0556  253.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1778  195.1651  253.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2248  195.6525  252.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1613  197.0596  248.8824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 25  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-28.18355430,-89.93123941,62.58950846,87.45362395,207.02650804,193.92389586
251.26065178,-0.70885515,1.40465765,-0.14664115

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445932/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37763

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-3.02237

>  <SCORE.INTRA.DIHEDRAL>
4.07557

>  <SCORE.INTRA.DIHEDRAL.0>
3.86473

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.06016

>  <SCORE.INTRA.VDW.0>
0.173463

>  <SCORE.INTRA.norm>
-0.116245

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.245293

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008521

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  196.6194  214.8439  251.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9591  213.8732  250.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5322  212.4251  250.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9508  211.4025  251.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4295  211.5386  251.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0537  213.0443  251.9887 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4239  213.7105  250.5626 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.5382  214.8190  249.9386 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.0894  214.7572  250.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0336  214.7773  251.9345 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5356  213.3436  252.3532 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.0083  213.1471  253.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6764  213.0071  254.8043 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5114  213.2555  253.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1734  214.6991  253.5871 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.6382  214.9909  252.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6953  215.6770  254.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6590  214.8430  253.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8755  215.1969  252.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8284  216.0471  252.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5143  214.6562  248.5121 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8824  213.2696  253.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3274  214.5031  248.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1782  213.7665  248.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  1  0  0  0
  7  2  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  6  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 11 12  1  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
57.83973877,-118.49749488,193.01902090,214.01004258,251.91551639,-0.31550609
-0.42620367,2.08274764

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445934/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27205

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-0.127945

>  <SCORE.INTRA.DIHEDRAL>
0.0202017

>  <SCORE.INTRA.DIHEDRAL.0>
0.0232956

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.138046

>  <SCORE.INTRA.VDW.0>
0.436963

>  <SCORE.INTRA.norm>
-0.00556284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.272698

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001682

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 16  0  0  0  0  0  0  0  0999 V2000
  186.3492  227.0837  249.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3014  225.9496  250.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4628  224.9928  249.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9889  226.2022  251.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9937  225.2503  251.7387 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.5874  225.7817  253.0594 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.2424  227.1044  252.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6537  226.7872  251.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3027  225.2962  250.8903 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4244  224.3486  251.5027 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.8010  223.5427  252.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5849  224.7053  253.6449 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0040  225.2074  253.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4785  225.0398  252.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 14  1  1  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-178.30024602,-179.09609672,189.65523217,225.54192631,251.66307739,-3.13398023
0.60567631,-2.71144677

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445935/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30252

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.0974755

>  <SCORE.INTRA.DIHEDRAL>
-0.219969

>  <SCORE.INTRA.DIHEDRAL.0>
0.81045

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0125092

>  <SCORE.INTRA.VDW.0>
-0.756381

>  <SCORE.INTRA.norm>
-0.00696253

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.521609

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002839

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  193.2925  199.4696  239.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2238  200.2854  241.0916 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4222  200.7306  241.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4298  202.0637  241.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5819  202.6242  242.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7487  201.8588  242.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7390  200.5256  242.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5746  199.9600  241.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9076  202.4508  243.2852 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6774  203.2742  244.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6027  203.3557  244.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8346  204.0148  244.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0185  203.8516  244.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2692  202.9022  243.2151 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1817  202.1324  242.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3443  201.2665  241.8970 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5971  202.6422  242.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5405  201.7182  243.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7381  202.2911  244.7532 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7429  201.6037  245.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9776  200.4059  243.5907 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0639  199.6191  242.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1938  204.9608  244.6698 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.3067  205.3471  246.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0088  204.8646  246.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9987  205.1090  247.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4252  204.4896  248.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5257  205.2710  249.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9006  205.2409  248.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9766  206.0673  247.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 25  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 30  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
137.80887116,41.20407016,82.07205278,-58.03875355,-171.44132302,75.35701905
198.90945897,202.72520363,244.11045039,2.36957908,0.08827604,-2.29663065

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445936/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.92343

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-1.47657

>  <SCORE.INTRA.DIHEDRAL>
0.0239185

>  <SCORE.INTRA.DIHEDRAL.0>
11.5231

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.48853

>  <SCORE.INTRA.VDW.0>
2.06097

>  <SCORE.INTRA.norm>
-0.0492191

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.330781

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000114

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  196.9748  222.8513  255.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2083  222.1555  254.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2617  221.6532  255.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1694  221.1312  254.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6195  221.3079  253.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4083  221.9455  253.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2621  220.8764  252.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4500  220.2599  252.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1085  220.0289  253.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3028  219.4074  253.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9330  218.9334  252.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3309  219.1548  251.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1254  219.8009  251.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9017  219.1513  254.7664 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0331  218.2925  254.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5424  218.2424  256.3178 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4831  217.6802  257.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4089  218.6554  257.5707 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2226  218.0815  258.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4001  219.1885  258.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3652  217.3872  257.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7391  217.4459  256.3494 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4486  220.5140  254.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9229  220.4280  255.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7111  221.0679  250.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0412  222.2810  250.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1538  219.1600  256.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4043  217.9022  255.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
39.42901948,168.65094032,177.00243926,61.45761893,-74.27459144,63.09650575
165.78656297,160.53909365,201.78040629,219.89440346,254.47400143,2.49707263
0.49654203,-1.39633904

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445938/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.24398

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-10.156

>  <SCORE.INTRA.DIHEDRAL>
-2.62849

>  <SCORE.INTRA.DIHEDRAL.0>
6.45948

>  <SCORE.INTRA.POLAR>
-1.61734

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.3428

>  <SCORE.INTRA.VDW.0>
3.62217

>  <SCORE.INTRA.norm>
-0.390616

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0863071

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 36  0  0  0  0  0  0  0  0999 V2000
  224.6304  183.6301  240.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6536  183.4610  241.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9491  182.1415  241.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6081  184.6640  242.2478 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.2108  185.9990  241.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9033  187.0100  241.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1000  185.9232  240.7606 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5323  187.0475  240.0295 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.3883  186.6198  239.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0432  188.0460  241.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2043  189.2627  240.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3929  187.4987  242.1811 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8912  188.3001  243.3094 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.8213  187.5658  244.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3992  186.3871  244.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4005  186.3168  246.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9093  185.4244  244.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1049  188.7395  244.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1948  188.1673  244.0315 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9048  189.8830  245.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2884  189.4736  246.2552 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.6810  184.4182  243.3569 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1018  184.3539  244.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2536  184.2374  245.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0119  184.4188  245.4575 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2883  184.5307  246.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9967  185.8100  247.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2719  185.7872  247.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8698  186.9704  248.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2006  188.1866  248.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9357  188.2237  247.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3379  187.0433  247.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6104  185.0414  240.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3606  186.4854  242.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3410  184.6762  244.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.6878  184.5552  243.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  1  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
58.91089646,-125.37797325,117.07402333,174.60234855,138.73962694,160.44285448
68.08099833,-17.62945503,117.13176726,176.22461665,79.19477733,-172.58836591
64.15598720,-118.45839244,222.06613658,186.42216550,243.91774542,-1.56878187
-0.87716678,1.31509216

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445939/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.949895

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.575

>  <SCORE.INTRA>
-17.4501

>  <SCORE.INTRA.DIHEDRAL>
-10.2777

>  <SCORE.INTRA.DIHEDRAL.0>
21.0074

>  <SCORE.INTRA.POLAR>
-2.15198

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0571006

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.28002

>  <SCORE.INTRA.VDW.0>
-3.29517

>  <SCORE.INTRA.norm>
-0.545316

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0296842

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006890

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  201.5657  202.5097  246.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7900  201.9978  247.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9435  200.7960  247.8113 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1431  200.7309  246.6082 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5237  201.6963  245.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0416  201.8987  244.6348 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9355  200.8938  248.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4735  201.6282  250.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0671  202.7233  250.5188 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4684  200.9766  250.7835 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7978  199.5004  247.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8262  198.6471  247.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5436  199.3571  249.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8510  201.4408  251.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4527  200.0646  249.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  1  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-38.95937080,-106.64115073,111.63627515,178.83575492,2.49551528,201.01793470
200.99700406,247.97721976,1.74125458,1.07120676,-1.68875796

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445941/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.57894

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-1.82106

>  <SCORE.INTRA.DIHEDRAL>
1.49851

>  <SCORE.INTRA.DIHEDRAL.0>
2.08797

>  <SCORE.INTRA.POLAR>
-0.368261

>  <SCORE.INTRA.POLAR.0>
-0.631739

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.31823

>  <SCORE.INTRA.VDW.0>
-0.203756

>  <SCORE.INTRA.norm>
-0.140082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.506072

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008741

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  207.4291  190.8954  243.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4659  191.3888  241.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8187  190.6039  240.8567 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1106  189.2456  241.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3679  188.5416  240.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1386  188.7280  242.2960 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8310  189.4805  243.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9006  188.9279  244.5529 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9301  191.1403  239.5071 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6108  191.2633  238.7138 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.9516  192.3886  237.7439 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8496  193.2952  238.5938 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.5424  192.4490  239.5292 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8548  194.1241  237.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8018  193.2939  237.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6235  191.9027  236.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4799  191.6602  239.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7637  188.4771  244.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0688  188.3993  244.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.2987  192.6576  236.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0496  191.2768  236.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3201  190.9903  240.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9  3  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <CHROM.1>
-82.58358722,-126.18489160,-61.40011006,61.11166423,-64.63976008,55.17084049
207.81432025,191.15356373,240.04738577,-1.71592630,-1.20410875,-1.13021216

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445942/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.0021

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-5.3979

>  <SCORE.INTRA.DIHEDRAL>
-4.62905

>  <SCORE.INTRA.DIHEDRAL.0>
7.94865

>  <SCORE.INTRA.POLAR>
-0.75761

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.507503

>  <SCORE.INTRA.VDW.0>
-1.17622

>  <SCORE.INTRA.norm>
-0.317524

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.176594

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003588

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  215.7551  192.0451  261.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0842  193.2073  261.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3194  193.9068  260.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2229  193.4467  259.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8964  192.2795  258.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6607  191.5808  259.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4419  194.2057  258.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2049  193.8038  257.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4698  194.6436  256.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0628  195.7708  256.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3865  193.9964  254.9283 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0914  192.8259  254.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3169  192.1804  253.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7213  192.3454  256.3861 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.8414  194.6965  253.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8549  193.8908  252.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4961  192.8483  252.1225 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0681  192.5615  250.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2096  193.2171  250.2685 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7033  191.4064  250.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2739  191.1095  248.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8130  190.0034  248.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7842  189.1943  248.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1970  189.4874  250.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6550  190.5811  250.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5362  187.8648  247.9767 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.3140  189.7165  246.8623 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.4675  190.5969  246.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7261  188.6405  246.6987 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.2984  192.3785  252.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <CHROM.1>
-174.84720149,-135.94085207,-72.49618209,-142.39984221,-179.95156208,212.77643318
191.93387759,253.30865991,-1.24765197,0.91990964,-2.14674007

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445944/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.50262

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-8.89738

>  <SCORE.INTRA.DIHEDRAL>
-14.5102

>  <SCORE.INTRA.DIHEDRAL.0>
19.3242

>  <SCORE.INTRA.POLAR>
-0.96098

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.62504

>  <SCORE.INTRA.VDW.0>
-1.0601

>  <SCORE.INTRA.norm>
-0.306806

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.0518144

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000466

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  208.5150  205.1429  248.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8181  203.9404  248.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7211  203.8310  247.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3288  204.9261  246.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0359  206.1412  246.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1245  206.2347  247.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6897  207.3425  246.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6731  207.3927  245.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3692  208.6194  244.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9922  209.6740  244.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1801  208.5574  243.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4859  207.5738  243.2777 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0278  209.7384  242.8142 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2238  204.8014  245.9994 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2625  209.6741  242.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8583  203.9073  246.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-0.20263978,-1.71516767,0.28346229,0.03918168,179.73336964,205.98388749,206.77860030
245.71301181,-0.96876716,-0.64848605,-0.40816728

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445945/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06756

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.33244

>  <SCORE.INTRA.DIHEDRAL>
-3.85398

>  <SCORE.INTRA.DIHEDRAL.0>
3.86058

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.405447

>  <SCORE.INTRA.VDW.0>
0.798628

>  <SCORE.INTRA.norm>
-0.166603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.433397

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031264

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  219.3420  188.1144  239.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1378  188.9064  240.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0163  188.4153  240.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4052  190.2128  240.8175 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2479  191.2926  241.3366 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.9906  192.3731  241.9555 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3030  191.5544  240.2764 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4326  190.3923  242.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1973  189.7040  243.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5620  188.9915  244.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1666  188.9642  244.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4100  189.6740  243.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0398  190.3968  242.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4849  188.2666  245.7228 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0708  187.5850  246.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2751  187.4901  247.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0970  186.9864  247.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3177  188.1174  248.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9697  188.2758  247.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9247  187.9206  248.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0243  188.7802  246.5210 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3474  190.5917  240.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4744  188.3553  245.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1528  188.8641  246.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
166.95595343,45.25857275,3.18014481,-63.19055778,99.01549535,106.05428199
178.33294935,215.67513018,189.29627090,243.89189972,-0.84047105,-0.57587228
2.36119381

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445954/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.45977

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-3.94023

>  <SCORE.INTRA.DIHEDRAL>
1.1419

>  <SCORE.INTRA.DIHEDRAL.0>
7.42348

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.11118

>  <SCORE.INTRA.VDW.0>
-1.64442

>  <SCORE.INTRA.norm>
-0.18763

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.355227

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000892

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 43  0  0  0  0  0  0  0  0999 V2000
  210.2245  193.5464  245.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7105  193.4438  243.7885 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7958  192.6646  243.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3806  192.0286  244.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7675  192.2170  245.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6820  192.9690  246.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5119  191.4814  246.8020 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5406  190.9113  246.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4945  191.2263  244.8098 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2818  191.2491  248.2042 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.4389  192.4115  249.1972 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.7263  191.7988  250.4040 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.5223  191.1174  249.7258 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.9661  190.6923  248.4129 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9198  189.9169  250.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6617  189.5372  249.9092 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8113  188.9680  248.2823 P   0  0  1  0  0  0  0  0  0  0  0  0
  207.7305  187.9174  248.5422 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0096  190.2922  247.7916 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9609  188.3989  246.6555 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0407  188.9571  245.6587 P   0  0  1  0  0  0  0  0  0  0  0  0
  211.4683  188.8358  246.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4559  188.2235  244.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5737  186.8855  244.2847 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.1684  188.5864  244.0330 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.4593  188.9644  242.8534 P   0  0  0  0  0  0  0  0  0  0  0  0
  209.7305  188.1906  241.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7142  190.4287  242.9529 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4078  189.6649  241.5875 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6557  190.5262  245.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6349  190.9157  251.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7872  193.6336  248.8512 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2954  192.5426  242.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5332  190.6802  248.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.7049  190.7864  243.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8924  188.8903  241.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0912  190.7915  246.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4137  191.3930  251.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0802  193.4605  248.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0163  191.6756  241.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2252  193.3952  241.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 33  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  6  0  0  0
 12 13  1  0  0  0  0
 12 31  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  1  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  1  0  0  0
 21 23  1  0  0  0  0
 21 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 35  1  0  0  0  0
 29 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
 33 40  1  0  0  0  0
 33 41  1  0  0  0  0
M  END
>  <CHROM.1>
-100.97790576,-69.06427850,20.08808357,62.07443186,167.39495848,65.23313684
143.08138897,-18.49354556,143.45080317,58.81131212,-65.45952894,18.34130474
-178.80789141,52.19318524,179.62358010,210.54268273,190.33416234,246.14042614
-1.64887628,0.89195746,1.44337245

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445955/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.16601

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-21.566

>  <SCORE.INTRA.DIHEDRAL>
-11.6193

>  <SCORE.INTRA.DIHEDRAL.0>
27.5442

>  <SCORE.INTRA.POLAR>
-2.86974

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0.00532438

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.02587

>  <SCORE.INTRA.VDW.0>
-4.45283

>  <SCORE.INTRA.norm>
-0.653515

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
-0.217152

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041972

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  197.8912  223.7400  253.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6574  223.0015  254.8800 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0367  221.7032  254.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7563  221.1058  253.5980 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8345  221.0821  255.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9349  220.8143  256.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7572  222.0380  257.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9725  223.1752  257.4199 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3051  221.8377  259.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1464  222.9468  260.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7314  222.8790  261.3473 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4647  221.6500  261.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5966  220.4848  261.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0244  220.5813  259.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9058  223.4416  255.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
71.18750548,-83.53219883,19.94658330,179.44253151,198.44971759,221.96596937
257.61632497,0.92221447,1.32764030,-0.86746543

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445956/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64775

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-2.75225

>  <SCORE.INTRA.DIHEDRAL>
2.28164

>  <SCORE.INTRA.DIHEDRAL.0>
2.19676

>  <SCORE.INTRA.POLAR>
-0.854664

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.987214

>  <SCORE.INTRA.VDW.0>
1.42473

>  <SCORE.INTRA.norm>
-0.196589

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.474839

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001458

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 27  0  0  0  0  0  0  0  0999 V2000
  187.2646  214.0017  261.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3622  214.9843  261.2081 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.0734  216.4554  261.5084 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.4721  217.0561  261.4288 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3762  215.9105  261.9717 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.5906  214.6965  261.9009 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8063  216.1687  263.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6815  216.4012  264.2913 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2824  215.2671  265.3344 P   0  0  0  0  0  0  0  0  0  0  0  0
  189.9303  215.3347  266.6747 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6960  215.3606  265.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4668  213.8670  264.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5283  215.7844  261.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8442  217.3812  260.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5356  216.6731  262.8127 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0780  214.0198  263.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8902  213.1377  263.6282 P   0  0  0  0  0  0  0  0  0  0  0  0
  185.6620  211.8103  262.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2234  213.0122  265.1825 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5857  214.0571  263.6185 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2959  215.4528  264.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0043  213.8683  263.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0184  215.0097  261.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.8311  216.5758  259.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.2542  216.6707  263.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.5292  213.8683  265.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.3290  214.2775  262.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  1  0  0  0
  4  5  1  0  0  0  0
  4 14  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <CHROM.1>
-63.21894729,175.42991137,80.42354077,-60.06601235,54.14417693,-175.01695395
108.16909710,89.34983743,44.36659169,-51.11667694,38.40125479,42.33712819
64.19544139,188.30349888,214.95451196,263.27861084,2.65480547,0.55592490
1.76549377

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445957/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-14.2377

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-25.6377

>  <SCORE.INTRA.DIHEDRAL>
-13.8844

>  <SCORE.INTRA.DIHEDRAL.0>
25.1017

>  <SCORE.INTRA.POLAR>
-4.40524

>  <SCORE.INTRA.POLAR.0>
-0.183081

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.71765

>  <SCORE.INTRA.VDW.0>
-0.693824

>  <SCORE.INTRA.norm>
-1.28188

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
-0.711883

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021428

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  189.4527  210.1504  260.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2302  209.4276  260.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3372  208.2740  259.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9724  207.6091  259.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4188  207.4556  260.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0091  207.2430  260.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4020  207.5482  261.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7065  208.9849  262.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1446  209.1591  262.3988 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4317  210.4883  262.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4903  210.4244  264.0900 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.8595  209.9987  263.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8271  208.6804  262.9984 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1315  207.8087  263.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2322  206.4543  263.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5360  205.5149  264.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7512  205.9261  265.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6447  207.2822  265.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3102  208.2232  264.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0756  209.5401  265.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6365  209.0751  261.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 11 10  1  6  0  0  0
 11 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-175.57287331,-48.80888288,161.47761576,-161.23219504,58.45606074,-65.56160688
-172.77974746,137.31726157,66.10636777,187.15691934,208.35753287,262.51874350
-1.52895645,0.81915590,1.71074284

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445958/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.80817

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.72

>  <SCORE.INTRA>
-4.59183

>  <SCORE.INTRA.DIHEDRAL>
5.95086

>  <SCORE.INTRA.DIHEDRAL.0>
0.0838669

>  <SCORE.INTRA.POLAR>
-1.37251

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.90072

>  <SCORE.INTRA.VDW.0>
-1.48605

>  <SCORE.INTRA.norm>
-0.229592

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.490408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000047

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 46  0  0  0  0  0  0  0  0999 V2000
  196.3405  202.6393  248.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3628  202.4836  249.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6862  202.7790  249.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6609  202.6887  250.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4648  202.3583  251.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9800  203.0541  249.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1698  202.9181  250.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3824  203.2682  249.7309 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3489  203.6728  248.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2206  203.8359  247.7817 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8978  203.6357  248.3388 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1468  204.9675  248.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4930  206.0087  249.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7330  207.1860  249.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6426  207.3435  248.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3252  206.3319  247.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0679  205.1567  247.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8626  208.5255  248.5510 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1032  208.9960  247.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0789  208.4968  246.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3392  210.1835  247.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5177  210.9134  246.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0989  212.0516  247.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6609  211.9315  248.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3970  210.7905  249.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3672  204.0344  246.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4528  203.7975  245.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7648  204.3911  246.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1421  204.8565  244.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3305  205.2124  243.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9709  205.2965  243.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5274  205.6440  242.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4361  205.9661  241.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8003  205.9442  241.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2225  205.5687  242.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5434  205.5081  243.0740 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5937  205.1046  244.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5946  204.9641  245.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6999  205.8462  242.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7347  204.0683  247.4905 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.3069  202.3457  251.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  2  0  0  0  0
  9 40  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 40  1  0  0  0  0
 29 37  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 39  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
178.73106368,1.41711305,-171.93257152,51.53172858,156.66957580,-3.11041008
178.17127269,200.88252249,205.56424124,247.08463837,-3.10010245,0.61482763
-0.83147303

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445959/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7976

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.302439

>  <SCORE.INTRA>
-1.60243

>  <SCORE.INTRA.DIHEDRAL>
-3.73041

>  <SCORE.INTRA.DIHEDRAL.0>
5.65161

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.262775

>  <SCORE.INTRA.VDW.0>
-0.81867

>  <SCORE.INTRA.norm>
-0.0390837

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.263355

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000251

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  207.6788  213.9927  258.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9026  214.4151  257.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8202  214.6281  256.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5072  214.4299  257.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2798  213.9435  258.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3756  213.7506  259.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0582  213.7732  259.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0279  213.1281  258.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8389  213.3088  258.8934 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8407  212.7381  258.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9340  212.0383  257.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1796  211.9057  256.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2750  212.3840  257.2682 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3480  211.2363  255.5410 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.6125  212.8955  258.7524 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.2454  214.9315  256.0271 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
48.13330269,-164.89431148,203.75309909,213.42550010,257.55438049,0.03405212
0.33129893,1.47587676

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445960/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34489

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.0551145

>  <SCORE.INTRA.DIHEDRAL>
-0.28329

>  <SCORE.INTRA.DIHEDRAL.0>
2.97042

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0865305

>  <SCORE.INTRA.VDW.0>
-1.30649

>  <SCORE.INTRA.norm>
-0.00344466

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.459055

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000680

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  209.8222  197.7745  245.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4829  196.4816  246.5220 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9893  196.6800  247.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5193  195.7608  245.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6634  194.2382  245.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9357  193.7664  245.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9923  194.1773  246.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0995  193.9385  247.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1972  194.3851  248.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2174  195.1024  247.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1257  195.3373  246.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0194  194.8786  245.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3903  195.5621  248.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9769  196.5111  249.3712 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4848  197.7414  248.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3499  198.0890  247.8327 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0839  198.6485  250.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5190  199.8841  249.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1303  200.7765  250.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3541  200.4436  252.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9357  199.2082  252.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2965  198.3121  251.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9740  201.3688  253.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9007  201.6580  254.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5545  201.9971  250.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3379  201.9593  249.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8397  196.1762  250.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
149.97075109,-63.59122292,66.06521881,56.39800665,-64.14787674,-65.64580627
-177.00761013,58.91440630,-133.83229788,211.73361604,197.54313141,248.72423019
1.81037184,0.49517529,-2.49470189

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445961/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.75382

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-4.64618

>  <SCORE.INTRA.DIHEDRAL>
6.93083

>  <SCORE.INTRA.DIHEDRAL.0>
5.38527

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.11159

>  <SCORE.INTRA.VDW.0>
7.44968

>  <SCORE.INTRA.norm>
-0.178699

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.375147

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000199

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  202.6236  206.8816  253.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5242  205.4637  253.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6735  205.2464  252.6118 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7946  204.0221  252.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9964  203.1045  252.1857 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0842  203.9080  251.1940 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.2265  203.4935  252.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1965  204.1688  253.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8410  205.5439  253.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9584  206.2008  252.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3474  206.0775  254.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0191  202.8176  250.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0941  202.0014  250.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1693  202.5911  249.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1113  201.5135  248.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1944  201.2369  247.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3449  202.0223  247.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4137  203.0880  248.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3323  203.3716  249.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4046  205.2561  250.6593 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6019  205.8300  249.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4537  206.1969  249.9039 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2260  205.9401  248.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9412  205.8831  251.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.44297901,-0.43998407,85.61686065,-39.81557055,-9.52190741,-69.36203783
-82.85767384,22.29139205,173.90757887,68.09554862,205.39825481,204.24245634
250.97478283,1.98212057,-0.08316466,1.02194340

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445970/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.69491

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.669565

>  <SCORE.INTRA>
-8.70509

>  <SCORE.INTRA.DIHEDRAL>
-9.98871

>  <SCORE.INTRA.DIHEDRAL.0>
17.2671

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.310732

>  <SCORE.INTRA.VDW.0>
-2.51444

>  <SCORE.INTRA.norm>
-0.378482

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.291083

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023692

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  197.8624  221.8011  254.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0173  221.8157  253.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7478  220.8862  252.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6882  220.7487  251.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7284  221.3946  251.7852 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2713  219.7768  250.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1389  218.9899  250.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0105  217.8306  249.6652 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.3662  218.4635  248.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0129  219.4325  249.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3363  220.0291  249.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8173  217.9983  247.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6806  218.6405  246.9210 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2255  216.8791  246.9388 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6604  216.3170  245.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8754  215.3469  245.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2685  214.8242  243.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4457  215.2388  243.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2482  216.1769  243.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8610  216.6977  245.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2779  213.6562  243.0395 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.0865  218.9523  251.8060 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5863  217.7543  252.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5608  217.2238  251.8827 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4479  217.0940  253.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2404  215.8639  253.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2943  215.5109  254.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2582  216.4908  254.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9018  217.8166  253.8552 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.3614  216.5397  247.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9122  219.7780  252.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-179.38903012,-2.15412151,-6.72625512,-136.04620818,169.56838937,-168.85253234
-100.71529832,-175.98625980,198.91074697,217.77260479,249.63012592,-1.77011322
-1.00524901,-2.13178165

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445971/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.31782

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-6.08218

>  <SCORE.INTRA.DIHEDRAL>
-6.64838

>  <SCORE.INTRA.DIHEDRAL.0>
8.3513

>  <SCORE.INTRA.POLAR>
-0.220219

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.00925

>  <SCORE.INTRA.VDW.0>
-0.241518

>  <SCORE.INTRA.norm>
-0.20973

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.252338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  197.1094  219.1292  257.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2755  218.5689  256.7618 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1524  219.3870  256.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3901  219.1261  255.3672 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.3323  218.2115  254.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6616  218.2543  253.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6813  217.3492  252.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0333  217.3934  251.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1595  216.7338  252.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9110  216.7152  250.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-116.40913285,-179.91575122,-179.38626376,69.28493422,197.50283963,218.06882383
253.94993492,-2.05003669,0.30004735,-1.78260761

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445972/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.47078

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-0.929221

>  <SCORE.INTRA.DIHEDRAL>
-0.882083

>  <SCORE.INTRA.DIHEDRAL.0>
3.88951

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.488179

>  <SCORE.INTRA.VDW.0>
0.298904

>  <SCORE.INTRA.norm>
-0.0929221

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.847078

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010962

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  193.6275  219.7664  263.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8179  220.2232  262.0775 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9467  219.1397  261.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0409  219.6150  260.4459 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8250  220.1111  259.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5259  219.2129  258.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2455  219.6824  257.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2635  221.0494  257.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5703  221.9473  257.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8560  221.4832  258.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9250  218.8285  256.5103 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1570  218.5912  260.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4679  220.5049  261.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9390  217.8753  256.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.5824  218.9395  259.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
177.67748456,59.70170098,71.61961275,178.90389507,0.20477389,192.39892228
219.90517336,259.43128840,-1.77261064,-0.54197602,-1.57344042

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445973/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.04279

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-0.357211

>  <SCORE.INTRA.DIHEDRAL>
-0.0432851

>  <SCORE.INTRA.DIHEDRAL.0>
0.923604

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.335568

>  <SCORE.INTRA.VDW.0>
-1.04175

>  <SCORE.INTRA.norm>
-0.0297676

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.670232

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003147

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  222.9934  185.5982  251.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1072  184.7345  251.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.9423  183.7859  250.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3032  182.4829  250.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1769  181.4234  249.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6843  181.6659  248.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3350  182.9705  248.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4712  184.0278  249.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8527  183.2819  246.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5369  183.0387  245.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9066  182.4536  245.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5928  182.1326  246.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.2659  182.3601  244.2558 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.3767  182.8935  243.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5422  183.1372  241.6827 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.9045  183.4037  244.1633 S   0  0  0  0  0  0  0  0  0  0  0  0
  226.5774  181.9747  244.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.8956  181.6046  242.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2678  181.1568  242.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2466  181.0526  243.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.5471  180.5765  243.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.8518  180.2099  241.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8841  180.3265  240.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5995  180.7931  241.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4938  180.9059  239.8284 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  232.0353  179.7256  241.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
  231.3133  180.5530  244.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
  232.6678  180.9583  244.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5113  180.3225  247.5194 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.7755  182.2172  252.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
  232.6249  179.4644  242.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.7903  183.0815  252.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <CHROM.1>
-131.85900591,-1.18758830,-58.40141422,165.96516728,3.65348444,-138.76397816
12.85286851,226.02744782,182.02330685,245.26276959,-2.22218527,0.32128429
-1.62327477

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445974/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.21455

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-5.18545

>  <SCORE.INTRA.DIHEDRAL>
-1.6694

>  <SCORE.INTRA.DIHEDRAL.0>
16.988

>  <SCORE.INTRA.POLAR>
-0.000342584

>  <SCORE.INTRA.POLAR.0>
-0.333154

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.34958

>  <SCORE.INTRA.VDW.0>
4.02384

>  <SCORE.INTRA.norm>
-0.172848

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.173818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000092

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  195.5824  202.8680  249.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7750  202.0706  249.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5323  202.4584  248.3873 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0164  200.9326  249.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0718  204.0581  251.1834 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.8209  200.4693  249.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
-89.99032159,-177.77947027,196.37280724,203.19599214,250.39610691,-0.42886535
1.20597210,-0.40070481

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445975/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.04468

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-3.35532

>  <SCORE.INTRA.DIHEDRAL>
-0.0913249

>  <SCORE.INTRA.DIHEDRAL.0>
1.36267

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.30965

>  <SCORE.INTRA.VDW.0>
2.78839

>  <SCORE.INTRA.norm>
-0.671063

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
0.608937

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.123257

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 60 64  0  0  0  0  0  0  0  0999 V2000
  198.8411  201.8956  246.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0470  201.5140  247.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3819  201.9261  249.1981 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5177  202.7515  249.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3527  203.0863  248.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0987  202.5911  247.0371 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4301  203.9136  248.5390 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6632  204.4686  249.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9373  204.2294  250.7913 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8479  203.3844  250.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1351  203.1518  251.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7263  205.2969  249.8018 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6351  200.7418  247.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3010  201.2518  247.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6478  202.1354  248.9648 P   0  0  1  0  0  0  0  0  0  0  0  0
  194.9301  203.6031  248.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0843  201.9187  248.6381 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7165  201.5483  250.4897 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9598  202.3053  251.8489 P   0  0  1  0  0  0  0  0  0  0  0  0
  192.5782  202.0847  251.2351 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2331  200.9928  252.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2032  203.0624  253.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3858  203.9506  254.1056 P   0  0  1  0  0  0  0  0  0  0  0  0
  193.3278  204.3524  255.1316 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0953  202.5873  254.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5683  204.8388  255.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0182  205.1542  254.4893 P   0  0  1  0  0  0  0  0  0  0  0  0
  197.8805  205.9484  255.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6164  203.7223  254.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7227  205.7734  253.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8000  205.8665  252.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8990  206.8920  252.5078 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9254  206.3451  253.5233 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.2053  207.0421  253.1027 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.0470  207.0729  251.5708 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6725  207.5164  251.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1377  207.8053  250.9073 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8298  208.3446  249.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8996  208.6262  248.9691 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8576  208.7343  249.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1357  209.3030  249.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7446  209.6939  250.9671 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1330  209.3939  252.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0015  208.6487  252.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3751  208.3610  251.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7050  209.5988  248.6006 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2662  208.3505  253.6829 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1378  204.9365  253.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5001  203.1368  246.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9399  204.2608  247.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8887  205.8286  248.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5724  204.7879  250.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.5409  202.0821  249.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6586  201.3094  253.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0775  202.6797  254.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4272  203.7791  253.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2730  208.8220  248.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0172  209.9566  247.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1107  208.7733  253.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4748  204.6345  252.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  6  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  1  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  1  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 56  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 48  1  6  0  0  0
 34 35  1  0  0  0  0
 34 47  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  1  6  0  0  0
 37 45  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 45  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 46  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 46 57  1  0  0  0  0
 46 58  1  0  0  0  0
 47 59  1  0  0  0  0
 48 60  1  0  0  0  0
M  END
>  <CHROM.1>
-96.47411993,34.18453884,-55.68206532,86.75801676,158.13085389,-174.91085671
63.53576998,129.23068755,-42.01584491,-178.25834230,137.29829441,-179.85587066
179.22027010,165.62175967,-163.82603923,-67.83621196,82.01856777,60.96429187
177.03464600,-154.99383848,-92.65974039,198.46404055,204.72220615,251.29190743
-2.94542612,0.53186573,1.04869109

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445976/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-17.4689

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.425

>  <SCORE.INTRA>
-37.8689

>  <SCORE.INTRA.DIHEDRAL>
-28.4333

>  <SCORE.INTRA.DIHEDRAL.0>
40.451

>  <SCORE.INTRA.POLAR>
-4.9006

>  <SCORE.INTRA.POLAR.0>
-1.32182

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
-6.8412

>  <SCORE.INTRA.VDW.0>
-3.79141

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
-0.363936

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.680762

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  210.7602  217.9866  256.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2586  217.6697  255.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9433  216.1834  255.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4374  215.8691  253.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0832  214.3871  253.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5594  214.0661  252.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1774  212.5877  252.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6157  212.3417  250.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2265  210.9678  250.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6643  210.7007  249.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2338  211.0591  248.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5949  210.7696  247.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
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  204.7952  209.7193  248.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4383  210.0262  249.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8922  209.8823  245.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8424  210.7450  245.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2000  212.2266  245.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
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  204.5901  214.0535  246.9182 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8139  214.5655  248.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
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  207.2985  218.2060  250.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2124  217.5601  251.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3214  216.5067  251.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6497  215.9854  250.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8597  216.5110  249.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1678  216.1634  245.7173 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9892  212.1756  247.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6186  215.3588  245.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 32  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <CHROM.1>
179.92339938,-178.23550344,179.23547396,-178.96238388,178.02372388,-179.29795766
177.58030162,50.74651670,-102.41062420,54.32124123,102.96960032,-168.19741140
3.23385954,8.35443577,206.57012568,214.17686787,249.49488269,-0.48489954
1.06885934,3.11306860

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445977/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.385

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.557576

>  <SCORE.INTRA>
-3.01504

>  <SCORE.INTRA.DIHEDRAL>
1.90134

>  <SCORE.INTRA.DIHEDRAL.0>
7.53319

>  <SCORE.INTRA.POLAR>
0.153675

>  <SCORE.INTRA.POLAR.0>
-0.85816

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.4882

>  <SCORE.INTRA.VDW.0>
1.59036

>  <SCORE.INTRA.norm>
-0.0913648

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.466211

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000157

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  191.8263  221.6492  267.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3797  222.4721  266.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0654  221.8488  265.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9071  222.2272  264.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5933  221.6666  263.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4314  220.7171  262.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6023  220.3481  263.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9172  220.9112  264.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1362  220.0846  261.6159 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9970  220.2368  260.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0833  221.0246  261.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9866  219.2978  259.8877 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8236  219.3458  259.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9443  218.2442  258.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7538  219.3531  261.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
92.21181662,-3.59895236,179.07961065,-179.74448608,190.85187928,220.67446841
262.73755060,1.16232578,-0.47089824,1.02063278

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445986/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.71003

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-2.68997

>  <SCORE.INTRA.DIHEDRAL>
-5.04803

>  <SCORE.INTRA.DIHEDRAL.0>
5.84631

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.165958

>  <SCORE.INTRA.VDW.0>
1.08815

>  <SCORE.INTRA.norm>
-0.192141

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.479288

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001813

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  204.0377  191.8514  253.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7901  192.5285  252.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1295  193.3094  251.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3840  193.0212  251.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9973  192.0404  252.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9077  193.6696  250.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1168  194.6532  249.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8558  194.9850  250.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3437  194.2932  251.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5657  195.3576  248.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8321  195.6791  248.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9779  195.3907  249.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0103  194.7970  248.8272 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7463  195.7432  250.4417 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7594  195.5019  251.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7285  194.0879  252.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1410  192.9976  251.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3057  192.9397  250.4091 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.0480  193.6293  250.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.3568  191.8162  249.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3424  191.3318  248.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0289  190.1402  248.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7904  189.4881  248.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8093  189.9906  249.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1381  191.1606  249.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4523  191.9090  250.7324 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1405  196.2346  246.9103 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2473  196.9221  246.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1785  197.3727  246.4977 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6244  197.1820  244.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6844  197.8503  243.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9006  198.0228  242.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0635  197.5268  241.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0120  196.8723  242.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7991  196.6980  244.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8399  196.1101  250.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5530  191.6309  251.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0889  196.1160  246.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
 27 28  1  0  0  0  0
 27 38  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-32.46758141,129.38075720,-83.61699184,68.46764359,54.80081799,178.45753924
206.20515888,194.21446621,248.80235117,1.47688802,-0.54749009,2.13959259

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445987/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59027

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-6.80973

>  <SCORE.INTRA.DIHEDRAL>
-5.76163

>  <SCORE.INTRA.DIHEDRAL.0>
18.2121

>  <SCORE.INTRA.POLAR>
-1.08443

>  <SCORE.INTRA.POLAR.0>
-0.0822351

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.241851

>  <SCORE.INTRA.VDW.0>
-3.88531

>  <SCORE.INTRA.norm>
-0.200286

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.135008

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  198.9512  199.9488  248.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7817  200.0297  249.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5011  198.7172  249.5764 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4911  198.6473  250.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8069  199.6116  250.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2807  197.2959  251.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3220  197.0469  252.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3872  195.4185  252.5394 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.6487  195.0973  251.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0147  196.1494  250.6848 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4117  193.7796  251.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2107  193.3962  250.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4719  193.0169  249.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8977  194.2020  248.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9377  195.2389  247.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8894  194.6624  246.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2332  196.4808  247.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5448  193.8571  250.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4889  193.0726  250.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6987  195.2307  250.2727 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8795  196.0113  250.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9183  197.2889  250.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0805  198.0694  250.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2012  197.5979  249.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1586  196.3550  249.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0059  195.5722  249.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2035  199.6296  251.4247 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.4995  197.8800  251.5651 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.9016  195.7760  250.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
178.05314779,3.27236435,178.41712252,163.46198875,-70.10023113,77.66562567
119.21560887,56.48100457,68.22057142,-153.54421025,198.77531184,196.59714946
250.23411366,0.51559709,0.15190039,0.22117066

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445988/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.92373

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-11.4763

>  <SCORE.INTRA.DIHEDRAL>
-2.84677

>  <SCORE.INTRA.DIHEDRAL.0>
7.86598

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.65289

>  <SCORE.INTRA.VDW.0>
0.445498

>  <SCORE.INTRA.norm>
-0.409867

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.140133

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  186.4346  230.4529  250.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4808  229.8930  249.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5920  228.4695  249.2142 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5034  227.8668  248.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2194  228.4275  247.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5432  226.3996  248.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4524  225.6429  247.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5437  224.2575  248.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7347  223.5988  249.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8225  224.3597  249.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7252  225.7508  249.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7946  222.2086  249.2669 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6376  221.2822  248.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4138  221.5521  247.7553 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5767  219.9142  249.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2206  219.4590  250.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4168  218.0884  250.4890 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9073  217.6418  249.3039 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9470  218.7138  248.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3851  218.5088  247.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2282  217.1526  251.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5831  215.8091  251.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4833  214.8820  252.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9959  215.2788  253.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5904  216.5966  253.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7007  217.5312  252.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8040  220.3612  251.8405 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.1728  221.8550  249.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
179.99170468,0.52948057,-179.12065571,0.47051313,-26.63857838,-176.40880203
188.93431180,221.89850731,249.90272547,1.83007265,1.11242470,-0.47332918

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445989/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61059

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-4.78941

>  <SCORE.INTRA.DIHEDRAL>
-3.61343

>  <SCORE.INTRA.DIHEDRAL.0>
5.74976

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.98269

>  <SCORE.INTRA.VDW.0>
3.25704

>  <SCORE.INTRA.norm>
-0.177386

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.244837

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000432

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  223.1414  177.9840  246.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9922  177.3560  247.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3320  177.8708  248.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9555  178.7922  249.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2367  179.2002  248.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7657  178.9091  247.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9748  179.5756  250.8735 Hg  0  0  0  0  0  0  0  0  0  0  0  0
  219.9626  180.3150  252.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6839  181.6672  252.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2777  182.1484  253.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8878  181.2789  254.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8929  179.9193  254.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5661  179.4391  253.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
30.83559445,-150.72984745,220.97477340,179.57471209,250.87741268,-0.82535207
0.83012198,0.56671336

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445990/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.38561

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.0143869

>  <SCORE.INTRA.DIHEDRAL>
-0.0286203

>  <SCORE.INTRA.DIHEDRAL.0>
0.80212

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.67689e-05

>  <SCORE.INTRA.VDW.0>
-0.0967942

>  <SCORE.INTRA.norm>
-0.00110668

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.568124

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041696

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  188.5156  213.0862  255.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0582  214.5015  255.7914 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.1717  214.7340  257.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2450  215.2304  257.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4843  215.6328  257.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4477  215.6299  255.6296 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2684  214.9057  254.9189 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.0238  213.9367  253.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9969  212.7145  254.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6506  214.5185  253.0475 O   0  5  0  0  0  0  0  0  0  0  0  0
  191.5716  217.0583  255.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2924  218.0571  255.7614 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0271  217.1465  253.8029 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2378  218.4240  253.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9937  219.0360  252.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5909  218.7322  251.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5010  219.2578  250.6873 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7779  220.1374  251.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1055  220.5342  252.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2376  219.9829  253.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2901  215.4038  259.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1012  216.2676  253.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  1  0  0  0
  7  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  1  10  -1
M  END
>  <CHROM.1>
-22.16596604,-25.98395727,-82.49808319,-87.67485309,190.51992217,216.53974950
254.52787746,-1.27912486,1.53297508,-1.01936518

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445991/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93301

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.46699

>  <SCORE.INTRA.DIHEDRAL>
-1.23252

>  <SCORE.INTRA.DIHEDRAL.0>
4.99662

>  <SCORE.INTRA.POLAR>
-0.545539

>  <SCORE.INTRA.POLAR.0>
-0.704269

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00409801

>  <SCORE.INTRA.VDW.0>
-1.41077

>  <SCORE.INTRA.norm>
-0.117476

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.330143

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000292

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 23  0  0  0  0  0  0  0  0999 V2000
  179.5325  222.6872  260.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5755  221.6840  259.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4740  220.4836  259.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8989  220.7849  259.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5430  220.2744  258.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9253  220.6548  257.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7216  220.3753  256.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0882  220.6638  256.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6937  221.3187  257.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9127  221.7120  258.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5602  221.4090  259.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9283  221.8879  260.0686 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6179  221.6218  260.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9625  222.3180  261.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8784  223.3166  260.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8951  219.4304  257.2883 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.5476  218.2833  256.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6920  218.0571  255.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2983  218.2930  255.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4867  219.5034  256.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-140.52688326,182.54367527,220.72575580,258.47071127,2.20375175,0.14641192
0.87030567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445992/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20343

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.196565

>  <SCORE.INTRA.DIHEDRAL>
-2.13892

>  <SCORE.INTRA.DIHEDRAL.0>
6.94426

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.872895

>  <SCORE.INTRA.VDW.0>
-0.620913

>  <SCORE.INTRA.norm>
-0.00982825

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.310172

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014550

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  197.3778  217.9644  251.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1677  216.9347  252.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4600  217.1871  253.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9609  218.4723  254.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1105  219.4605  253.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8238  219.2172  252.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4916  218.6904  255.5723 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4655  218.0005  256.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2621  218.7508  257.8129 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6951  217.9259  259.1241 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.6293  218.6680  259.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5437  217.2426  259.7083 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5952  216.7454  258.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7073  216.0077  258.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8136  214.8026  257.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7477  214.3924  257.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7954  215.3296  256.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9276  216.6155  257.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3907  219.6892  255.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
6.68399090,161.30690640,196.24201258,217.42978200,256.54575830,-1.30695474
-1.16669341,1.98818169

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445993/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.66977

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.730231

>  <SCORE.INTRA.DIHEDRAL>
-1.22668

>  <SCORE.INTRA.DIHEDRAL.0>
6.7134

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.11689

>  <SCORE.INTRA.VDW.0>
-1.06475

>  <SCORE.INTRA.norm>
-0.0405684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.370543

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000190

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 36  0  0  0  0  0  0  0  0999 V2000
  190.0980  215.0537  249.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8130  213.6643  249.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1653  213.6381  251.1328 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.9498  212.1929  251.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3218  211.8764  252.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9505  214.4166  252.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3805  213.9731  252.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8161  214.3363  251.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7636  213.6658  250.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0823  213.6149  248.8550 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2020  213.0720  247.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3416  213.2906  246.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3695  212.6737  245.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3724  211.8454  246.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2592  211.6274  247.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1401  212.2376  248.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4039  212.8958  244.3627 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4924  213.0534  243.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3229  211.7495  243.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5717  211.8072  242.7081 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.4865  212.8783  243.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0228  212.6873  244.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2123  210.4385  242.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3833  209.2790  242.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2303  212.1419  241.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4155  212.2341  240.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4323  213.9891  246.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7353  215.2532  246.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7516  216.4315  246.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1824  217.6665  247.2065 N   0  3  0  0  0  0  0  0  0  0  0  0
  186.2635  218.8157  246.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1836  219.2219  245.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1303  217.3362  248.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7568  216.9667  249.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5947  218.0977  246.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1455  219.3039  247.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  3   3   1  20   1  30   1
M  END
>  <CHROM.1>
179.33420480,178.89635212,-61.69976318,63.94485551,-62.64230686,-178.24309957
164.60955287,-52.69981394,35.90820772,63.38155782,-178.83644442,61.16344372
62.81514539,62.18827206,-179.88222834,-63.29913398,172.04164233,173.47310588
-58.12703344,-62.31303458,-177.97533956,187.70508368,214.01158325,246.97974432
-1.24499681,1.36944499,-2.26499943

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445994/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.2709

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.733333

>  <SCORE.INTRA>
-6.12907

>  <SCORE.INTRA.DIHEDRAL>
-3.21277

>  <SCORE.INTRA.DIHEDRAL.0>
8.77881

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.52269

>  <SCORE.INTRA.VDW.0>
23.7186

>  <SCORE.INTRA.norm>
-0.170252

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.563081

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000805

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  213.1630  188.2566  247.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3083  188.3376  246.5376 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6143  187.0587  246.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7691  187.1554  244.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2105  188.4240  244.0439 As  0  0  0  0  0  0  0  0  0  0  0  0
  214.8046  188.2452  241.8676 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.9045  190.2064  244.2846 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <CHROM.1>
179.98470218,59.39280138,-175.34928596,214.40764638,188.50213200,244.35738146
2.71374358,-1.18317150,2.76176242

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445995/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.95198

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-0.448019

>  <SCORE.INTRA.DIHEDRAL>
-0.0212196

>  <SCORE.INTRA.DIHEDRAL.0>
0.383214

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.437409

>  <SCORE.INTRA.VDW.0>
-0.423971

>  <SCORE.INTRA.norm>
-0.0640026

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.136

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.083152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  204.2085  208.2699  250.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0044  209.0436  250.6534 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.8004  210.3538  250.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0944  209.5098  250.3580 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0789  209.4095  251.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2522  209.0329  251.5097 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5724  209.7438  252.8101 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7973  209.8759  249.1076 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6500  208.7577  252.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1453  207.7075  252.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8511  209.8002  252.9699 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6449  210.0640  252.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5154  209.2330  248.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2470  210.7954  249.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5740  209.6294  253.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-71.30593184,92.51755732,-69.25470267,-2.53705962,176.47930436,204.42343079
209.23889330,251.33771023,0.43761046,-0.18623937,-1.52537354

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445997/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64963

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-2.75037

>  <SCORE.INTRA.DIHEDRAL>
1.55037

>  <SCORE.INTRA.DIHEDRAL.0>
4.68257

>  <SCORE.INTRA.POLAR>
-0.91491

>  <SCORE.INTRA.POLAR.0>
-0.0850905

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.414866

>  <SCORE.INTRA.VDW.0>
-0.913463

>  <SCORE.INTRA.norm>
-0.250034

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.513602

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  207.9377  200.4124  236.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9366  198.9142  236.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1499  198.2190  235.2092 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0855  196.6155  235.6292 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.7848  196.7598  237.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7272  198.1274  237.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4042  198.8441  239.2727 Br  0  0  0  0  0  0  0  0  0  0  0  0
  207.6174  195.6455  238.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3787  195.8947  239.4486 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2253  194.8804  240.3646 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9539  195.1230  241.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8094  196.4530  242.0850 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8225  193.7419  242.7505 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.2231  194.2544  243.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8938  197.2684  241.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6184  196.6223  243.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.50185759,-178.31084953,-130.27592827,207.36523826,196.99386062,239.11465751
0.54462756,1.34244294,0.03298893

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445998/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.16886

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.231137

>  <SCORE.INTRA.DIHEDRAL>
-0.846001

>  <SCORE.INTRA.DIHEDRAL.0>
3.2619

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.191864

>  <SCORE.INTRA.VDW.0>
-0.942898

>  <SCORE.INTRA.norm>
-0.0165098

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.58349

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 43  0  0  0  0  0  0  0  0999 V2000
  211.1747  179.2817  240.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1010  180.0719  241.7938 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.9508  181.5538  241.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6291  182.0805  242.8604 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7342  181.0045  243.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9166  179.8029  242.6181 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1836  178.5978  242.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6638  177.6656  241.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7934  177.8858  240.7197 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0396  176.4715  241.2976 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8169  176.2230  241.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2048  177.0181  242.6061 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8126  178.2299  242.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2613  179.0289  243.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3100  175.0487  241.3450 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6615  182.8992  243.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8881  182.5188  243.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9246  183.4851  244.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7579  184.8656  243.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5205  185.2581  243.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5081  184.3058  243.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8776  185.8799  244.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6995  187.0689  243.8954 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0894  185.3979  244.6106 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3237  186.1956  244.8315 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.0062  185.8910  246.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5588  184.4676  246.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4536  183.4800  246.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0663  183.1911  247.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8851  183.0090  245.4455 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2883  185.8112  243.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0939  184.8557  242.9517 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3706  186.6073  243.5656 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5604  177.3308  241.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.3009  176.0378  240.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0314  175.0539  240.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.8884  174.2483  241.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2268  184.3953  244.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1502  182.3782  245.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.9942  186.3668  242.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  1  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 39  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <CHROM.1>
-78.20224495,-71.40188848,179.16887197,134.89286439,65.06219477,-11.70187729
-75.64094438,-90.02719066,-178.77766536,179.78953059,212.88941961,181.98303171
243.43577184,-2.45886385,-0.35594772,-0.03868840

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/445/14445999/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.69136

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-5.70864

>  <SCORE.INTRA.DIHEDRAL>
-2.64292

>  <SCORE.INTRA.DIHEDRAL.0>
8.33473

>  <SCORE.INTRA.POLAR>
-0.393747

>  <SCORE.INTRA.POLAR.0>
-0.606253

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.04844

>  <SCORE.INTRA.VDW.0>
-0.0160566

>  <SCORE.INTRA.norm>
-0.172989

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.233071

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006157

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  214.9845  185.0177  246.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9673  184.0088  246.1919 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.6029  184.8375  245.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4431  186.1278  245.1624 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6305  186.3506  246.4048 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.5702  186.8799  247.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7840  186.9635  247.3926 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8852  187.2279  248.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3310  182.8536  245.6971 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5414  187.5538  249.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.0061  182.2339  245.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  6  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-179.05181397,110.82658601,179.58190911,216.13924184,185.57074691,246.57772529
1.91001360,-0.80425853,-2.32673812

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446000/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.62597

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-1.77403

>  <SCORE.INTRA.DIHEDRAL>
-1.89929

>  <SCORE.INTRA.DIHEDRAL.0>
2.98552

>  <SCORE.INTRA.POLAR>
0.329467

>  <SCORE.INTRA.POLAR.0>
-0.329467

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94457

>  <SCORE.INTRA.VDW.0>
1.32035

>  <SCORE.INTRA.norm>
-0.197114

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.513997

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006075

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  219.3293  172.2067  250.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8670  172.5791  250.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3381  172.0572  248.8536 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8682  171.8175  248.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4366  170.5175  249.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7567  172.8788  247.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6335  172.1452  246.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8647  170.7476  246.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7227  170.1314  244.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3628  170.8669  243.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1445  172.2517  243.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2984  172.8806  245.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8093  173.0335  242.7843 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2842  172.5066  241.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1143  173.3168  240.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5204  174.6675  240.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3337  175.4123  239.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7463  174.8299  238.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3424  173.4956  238.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5239  172.7393  239.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1219  171.4448  239.2402 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2635  170.6595  240.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8379  171.1680  241.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5116  175.7702  236.5651 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.2300  169.9652  247.2587 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8562  174.0553  242.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2268  170.2417  248.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
151.95233764,-78.64108473,160.98836586,-34.21324960,10.36625775,19.16748562
-172.69901020,216.64499415,172.57558865,243.35920114,-0.89698398,-1.28994288
-0.66227784

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446001/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64303

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-4.75697

>  <SCORE.INTRA.DIHEDRAL>
-1.9052

>  <SCORE.INTRA.DIHEDRAL.0>
6.32387

>  <SCORE.INTRA.POLAR>
-0.464879

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.22378

>  <SCORE.INTRA.VDW.0>
1.54359

>  <SCORE.INTRA.norm>
-0.190279

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.265721

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  225.4071  176.6971  238.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6251  176.9454  237.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
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  228.0259  181.0271  239.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  1  0  0  0
  9 23  1  0  0  0  0
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M  END
>  <CHROM.1>
-134.27897404,0.72108345,121.93322404,-44.44885443,-3.10899921,-83.61994000
172.38936610,-170.10830287,77.79573261,225.24815098,180.57673050,237.59897324
0.32703741,0.10612015,-2.63035840

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446018/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.78432

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-3.61568

>  <SCORE.INTRA.DIHEDRAL>
-3.74604

>  <SCORE.INTRA.DIHEDRAL.0>
17.0874

>  <SCORE.INTRA.POLAR>
-0.00261222

>  <SCORE.INTRA.POLAR.0>
-0.318191

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.73378

>  <SCORE.INTRA.VDW.0>
-0.0763463

>  <SCORE.INTRA.norm>
-0.120523

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.292811

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000707

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
113114  0  0  0  0  0  0  0  0999 V2000
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>  <CHROM.1>
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3.08184795,-178.41365337,-63.19516973,-57.05664438,-56.48417312,133.46560712
176.30970570,-128.09838307,68.93608573,131.03399115,-63.65722984,21.05211696
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>  <Name>


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>  <Rbt.Executable>
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>  <Rbt.Library>
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>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.RESTR>


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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
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>  <SCORE.norm>
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>  <TransFSReceptor>
receptor

>  <TransFSScore>
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$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  199.0702  194.9909  255.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0928  194.3737  256.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7788  194.0359  257.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2575  194.3762  255.9411 O   0  5  0  0  0  0  0  0  0  0  0  0
  199.0110  196.4365  255.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2592  196.8573  256.7778 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   4  -1   7  -1
M  END
>  <CHROM.1>
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>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
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>  <Rbt.Library>
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>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.heavy>
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>  <SCORE.norm>
0.951365

>  <TransFSReceptor>
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>  <TransFSScore>
0.058708

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  193.4863  205.2350  262.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
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>  <Name>


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>  <Rbt.Executable>
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>  <Rbt.Library>
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>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTRA>
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>  <SCORE.RESTR>


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>  <SCORE.heavy>
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>  <SCORE.norm>
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>  <TransFSReceptor>
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>  <TransFSScore>
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$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  185.7362  218.2605  252.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3383  219.4346  252.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
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  187.1154  219.9224  253.5011 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.9332  218.5716  253.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6219  217.7633  254.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.1361  219.7236  251.4736 C   0  0  1  0  0  0  0  0  0  0  0  0
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  181.8767  220.3167  252.2227 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
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>  <Name>


>  <RI>
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>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
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>  <Rbt.Library>
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>  <Rbt.Parameter_File>
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>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
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>  <SCORE.heavy>
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>  <SCORE.norm>
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>  <TransFSReceptor>
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>  <TransFSScore>
0.003060

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  203.3768  191.1429  262.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2944  192.0013  261.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3747  192.6780  260.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9537  193.5993  260.3297 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.2125  193.0623  261.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0315  192.2184  262.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4515  192.6957  259.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7788  193.7867  258.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8036  193.7607  257.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3425  192.7303  257.5162 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9931  195.0298  257.3995 N   0  0  0  0  0  0  0  0  0  0  0  0
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  206.9515  198.3112  254.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
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  208.0059  196.2838  252.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
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  207.9404  193.8101  256.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
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  211.5516  193.6751  257.7263 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
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257.91705528,-2.49756924,0.28376095,-0.74891679

>  <Name>


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0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446023/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29893

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-3.10107

>  <SCORE.INTRA.DIHEDRAL>
-9.27946

>  <SCORE.INTRA.DIHEDRAL.0>
14.4231

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.53866

>  <SCORE.INTRA.VDW.0>
-1.60342

>  <SCORE.INTRA.norm>
-0.106934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.217204

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000156

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  187.8702  210.9989  261.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7543  210.0269  260.8917 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.6914  210.8009  260.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2456  211.8272  259.4658 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.8527  212.3368  260.1116 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.2611  212.9958  259.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9503  213.5559  260.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1719  208.9148  260.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3339  209.0507  258.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6928  208.0227  257.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8745  206.7380  258.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6553  206.5805  259.8653 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2527  207.6484  260.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9727  207.5001  261.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2743  205.6433  257.8835 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5483  212.8386  261.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.7259  204.7972  257.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.2761  205.4875  257.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-81.92271175,58.96641618,-60.27770712,-128.23873213,187.02118067,209.77415726
259.88517044,2.72688624,1.28515349,-0.95734040

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446024/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.15851

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-1.24149

>  <SCORE.INTRA.DIHEDRAL>
-0.595074

>  <SCORE.INTRA.DIHEDRAL.0>
3.12417

>  <SCORE.INTRA.POLAR>
-0.00158525

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.938568

>  <SCORE.INTRA.VDW.0>
-0.554006

>  <SCORE.INTRA.norm>
-0.0827663

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.477234

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009075

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  207.0700  220.1287  247.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6144  221.2902  246.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5953  222.4125  247.4620 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0017  222.4355  248.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9462  223.4498  249.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4614  221.2482  249.2556 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5270  220.0799  248.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9237  219.0301  249.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0410  221.4274  245.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9219  220.4677  244.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7710  222.7178  244.9832 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2095  222.9212  243.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9822  224.3864  243.2923 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.2870  225.1841  243.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8409  225.3143  244.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3457  224.4593  242.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2264  223.2790  247.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7511  221.2331  250.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.9275  224.4075  244.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.4735  224.0315  242.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
2.08280667,-179.68974071,-176.58856705,62.82982626,-67.60285470,62.56313640
54.86790872,206.38683809,222.37500064,246.06619512,0.52726415,1.22457027
-3.13138655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446025/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.77161

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-5.62839

>  <SCORE.INTRA.DIHEDRAL>
-5.11721

>  <SCORE.INTRA.DIHEDRAL.0>
5.83843

>  <SCORE.INTRA.POLAR>
-0.74288

>  <SCORE.INTRA.POLAR.0>
-0.038404

>  <SCORE.INTRA.REPUL>
0.0180182

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.634081

>  <SCORE.INTRA.VDW.0>
0.929985

>  <SCORE.INTRA.norm>
-0.351774

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.298226

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000781

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  216.8234  195.4712  240.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4058  194.5776  241.5951 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.5661  194.9341  242.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0873  194.0188  243.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1346  194.3855  245.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6980  195.7215  245.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7712  195.9459  246.9516 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3820  197.1849  247.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8787  198.2563  246.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4798  199.4402  247.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6325  199.6157  248.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1027  198.5404  249.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4883  197.3454  248.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1065  200.7540  249.3744 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7069  198.2348  244.9969 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.2434  196.6530  244.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2276  196.2966  243.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7879  193.2197  241.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8055  201.4401  249.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4473  200.5611  250.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 16  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-106.40029443,217.20143769,196.80659349,245.41033543,1.31608320,1.17845097
-1.94764449

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446034/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06113

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-0.338867

>  <SCORE.INTRA.DIHEDRAL>
-0.221713

>  <SCORE.INTRA.DIHEDRAL.0>
0.613631

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.228011

>  <SCORE.INTRA.VDW.0>
-0.0345418

>  <SCORE.INTRA.norm>
-0.018826

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.33673

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000861

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 41  0  0  0  0  0  0  0  0999 V2000
  184.2217  208.7861  260.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2306  209.9084  260.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1053  210.2225  261.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9922  211.3463  261.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0017  212.1980  260.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2012  211.7717  259.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3264  210.6729  259.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7182  213.4092  260.1404 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9271  214.3574  259.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3201  214.2579  257.9954 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7436  215.2188  257.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6880  216.0893  257.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9953  215.6902  259.3114 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.2955  215.2141  255.4420 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.9395  215.9747  255.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4167  217.2624  254.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9831  216.8541  253.6329 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.2758  216.1894  253.8876 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.3374  217.2601  254.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5148  216.3630  254.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5354  214.9993  254.2471 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6985  215.5581  253.2608 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.8023  214.4542  252.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4343  213.0511  252.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6696  212.6788  253.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3225  211.5765  254.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7706  211.4453  255.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9666  211.0642  256.7823 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1470  211.9200  256.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1838  213.3700  255.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9192  213.5928  254.3601 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.3755  213.4046  253.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1884  215.1428  252.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7697  213.8699  255.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2998  213.6132  260.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.3404  213.4771  256.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  6  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  6  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 31  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 31  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
177.25808456,0.46346770,85.53264243,31.53962965,187.90257085,213.75748835
256.49174248,2.99719427,1.26843897,0.73143337

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446035/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.67078

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.247059

>  <SCORE.INTRA>
-2.72922

>  <SCORE.INTRA.DIHEDRAL>
-1.525

>  <SCORE.INTRA.DIHEDRAL.0>
3.51568

>  <SCORE.INTRA.POLAR>
-0.125727

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.53924

>  <SCORE.INTRA.VDW.0>
-2.60519

>  <SCORE.INTRA.norm>
-0.0802711

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.166788

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000007

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  200.2418  212.3929  235.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0452  212.3909  236.7835 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9671  213.8036  237.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4779  214.0008  237.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7565  212.9335  237.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6840  211.7860  237.1666 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.7097  210.9899  238.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8933  209.6056  238.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8750  208.8552  239.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6752  209.4593  240.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4998  210.8497  240.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5014  211.6004  239.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6499  208.6649  242.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4872  209.2726  243.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5232  208.5207  244.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6753  207.1404  244.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7842  206.5153  243.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7990  207.2707  242.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7787  206.5155  245.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4957  205.2782  245.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9941  205.4946  245.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2738  204.7115  247.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8963  215.3446  237.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7886  216.4330  237.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3293  217.7242  237.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9747  217.9434  238.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0823  216.8717  238.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5226  215.5562  237.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4613  214.4889  237.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
6.18426509,-94.72826846,178.19097953,-153.04678912,70.02922758,198.56503335
211.04612577,240.33740497,-1.81277740,-1.08012722,2.22615672

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446036/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.68938

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-2.71062

>  <SCORE.INTRA.DIHEDRAL>
-8.21909

>  <SCORE.INTRA.DIHEDRAL.0>
10.4209

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.39893

>  <SCORE.INTRA.VDW.0>
-0.525132

>  <SCORE.INTRA.norm>
-0.0934696

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.265151

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000922

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  200.5435  219.2720  259.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4117  219.6294  258.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3252  218.9237  257.6649 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1946  219.0089  258.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2189  219.3271  259.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3700  219.6264  260.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0343  219.3467  260.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8226  219.0362  259.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5852  218.8532  260.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4235  218.5781  260.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3723  218.5844  258.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3152  218.4943  257.9401 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5734  218.6002  257.8984 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8031  218.7910  258.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9841  218.7496  257.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1719  218.1284  260.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4489  216.9529  260.2463 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2254  215.7078  260.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8893  215.4174  258.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1956  215.5017  258.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1634  215.2636  257.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8440  215.0231  256.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0642  215.1084  257.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2735  217.0819  259.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7746  218.1710  259.2331 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6600  215.8890  259.1748 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9132  215.1791  260.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9175  215.8085  260.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2789  215.1304  261.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6274  213.8128  262.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5882  213.1592  261.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2115  213.8314  260.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4300  212.9931  259.5131 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.5221  218.5518  256.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2109  215.3027  258.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 15  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
-130.87238316,61.48888698,-95.45256563,105.30415175,77.31001657,51.04225249
193.28597420,216.89688688,259.41180657,-0.31108219,-0.36402278,-2.59731824

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446037/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.2665

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-5.1335

>  <SCORE.INTRA.DIHEDRAL>
-1.44117

>  <SCORE.INTRA.DIHEDRAL.0>
5.37264

>  <SCORE.INTRA.POLAR>
0.0600194

>  <SCORE.INTRA.POLAR.0>
-0.854554

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.61698

>  <SCORE.INTRA.VDW.0>
-2.3402

>  <SCORE.INTRA.norm>
-0.155561

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.189894

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  192.7388  225.8761  249.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5728  224.9627  250.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5951  223.8526  250.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8285  224.0215  251.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7643  222.9880  251.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4763  221.7651  250.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2458  221.5927  250.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3126  222.6334  250.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5329  220.7193  250.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6475  220.8651  251.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0926  219.6291  250.1738 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0359  218.6038  250.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6337  217.3058  250.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5114  216.2338  250.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2211  214.9339  250.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1191  213.8894  250.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2692  214.1095  249.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5725  215.3939  249.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7380  216.4719  249.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1188  217.7852  249.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2842  218.8522  249.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
90.71098343,-0.11620029,176.44726547,130.21477227,196.36348664,219.72083653
250.30527844,2.07434989,0.01936547,0.09253110

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446038/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.23442

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-5.16558

>  <SCORE.INTRA.DIHEDRAL>
-10.8096

>  <SCORE.INTRA.DIHEDRAL.0>
14.6454

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.239198

>  <SCORE.INTRA.VDW.0>
-0.018585

>  <SCORE.INTRA.norm>
-0.24598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.201639

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  211.2991  180.6886  240.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1290  179.9298  241.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0944  179.6389  240.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9455  178.9563  240.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8042  178.5551  241.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8116  178.8394  242.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9902  179.5246  242.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9928  179.7989  243.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1332  181.2292  243.7404 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1440  181.9814  244.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0797  181.4939  244.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4029  183.4511  244.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6435  183.9749  244.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9243  185.3435  244.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9723  186.2147  244.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7417  185.7077  245.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4555  184.3354  245.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2940  187.6071  244.8904 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6161  188.1785  246.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7781  188.6475  243.6487 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.3956  188.9948  243.8904 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7742  189.6864  243.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8011  187.6461  242.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8540  186.6322  242.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7939  185.9074  240.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7319  186.1655  239.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6472  187.2138  239.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6664  187.9701  241.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6656  185.3791  238.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8854  184.8127  238.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8637  184.9166  240.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0912  183.7002  241.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9185  181.6768  243.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
63.35078564,71.39272899,-1.32515129,-105.28482780,81.38078198,70.43316962
-73.10784905,-131.75037898,210.35207321,184.40612360,242.54322121,-2.92230537
1.38972309,1.52322798

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446039/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.77142

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-3.62858

>  <SCORE.INTRA.DIHEDRAL>
5.6299

>  <SCORE.INTRA.DIHEDRAL.0>
5.63808

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.44353

>  <SCORE.INTRA.VDW.0>
1.49899

>  <SCORE.INTRA.norm>
-0.113393

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.305357

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000277

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 76 79  0  0  0  0  0  0  0  0999 V2000
  212.5030  191.0063  239.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2592  191.4431  239.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9350  191.0559  241.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6936  191.4922  241.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8567  192.3416  240.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2030  192.7429  239.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3882  192.2987  239.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1405  191.1176  242.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8895  190.2362  241.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0850  190.4608  242.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
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  212.0514  188.3849  243.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8502  188.9057  244.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
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  214.3397  188.4930  244.7294 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6125  186.9657  244.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
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  214.3229  184.6284  245.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5074  186.6023  247.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0224  189.1634  243.6267 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3509  189.4977  243.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0948  189.2944  244.5858 O   0  0  0  0  0  0  0  0  0  0  0  0
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  216.4382  192.0869  240.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
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  214.8218  194.5523  238.2658 N   0  0  0  0  0  0  0  0  0  0  0  0
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  215.1308  196.4744  239.4768 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2732  196.4694  237.9022 C   0  0  1  0  0  0  0  0  0  0  0  0
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  211.6222  195.2706  239.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4786  195.8114  240.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
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  212.0695  194.0065  241.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3838  194.3266  240.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7846  194.3265  243.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
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  213.7465  198.9258  237.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3906  198.8322  236.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4684  200.2844  238.5340 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.4238  201.3439  237.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8807  201.2137  238.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
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  216.0984  203.4104  241.5226 N   0  0  0  0  0  0  0  0  0  0  0  0
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  213.9462  202.9483  242.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4233  203.9045  243.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3696  202.9708  244.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7295  201.6033  244.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8511  200.6713  243.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0931  199.3426  243.7777 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.5810  199.5753  243.8634 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.9714  199.6616  242.4439 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.9503  199.0883  241.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2520  198.2429  242.3343 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.7766  198.8488  242.5514 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8362  198.0250  243.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1196  197.0661  243.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
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  214.4444  189.4038  242.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2323  194.0591  237.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
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  212.7339  197.9560  239.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9942  203.8075  241.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1822  198.5770  241.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.1083  197.9655  245.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8870  201.5330  237.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
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 56 60  1  0  0  0  0
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 57 64  1  1  0  0  0
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 58 59  1  6  0  0  0
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 61 74  1  0  0  0  0
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 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
M  END
>  <CHROM.1>
45.53863732,176.37491396,66.03018906,47.20507353,-59.37884263,-58.88909022
153.36665330,178.55947131,54.03375504,179.83273167,170.55721914,-176.64337188
165.86695091,85.50416657,53.30958779,51.59957036,87.00701538,113.50343526
-42.23463829,169.61836646,-73.37321450,75.46389331,-68.82553763,-68.17449708
-175.06111605,-90.41541060,-71.98987116,-62.18676354,82.95649447,-174.05202207
65.24976557,212.79544920,195.46480219,241.67692981,1.63173660,0.26134968
2.90870336

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446040/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.2277

>  <SCORE.INTER>
35.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
30

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.520588

>  <SCORE.INTRA>
-20.1723

>  <SCORE.INTRA.DIHEDRAL>
6.79552

>  <SCORE.INTRA.DIHEDRAL.0>
20.1211

>  <SCORE.INTRA.POLAR>
-2.49243

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-15.0958

>  <SCORE.INTRA.VDW.0>
-4.25874

>  <SCORE.INTRA.norm>
-0.296652

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
68

>  <SCORE.norm>
0.223936

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006810

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 47  0  0  0  0  0  0  0  0999 V2000
  204.0215  206.5368  242.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6458  207.1713  242.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1935  207.7034  241.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8124  208.3318  241.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3381  208.8222  240.1962 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0887  209.3936  240.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6268  210.1899  241.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3367  210.7156  241.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4448  210.4379  240.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9171  209.6457  239.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2332  209.1419  239.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0628  210.9641  240.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5588  211.6996  241.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1325  212.2232  242.6349 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0130  212.1045  243.5623 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7915  212.1419  242.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6550  212.2003  243.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1074  212.0163  241.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3207  212.2315  240.5319 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1616  211.8025  244.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1630  211.6819  245.7548 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5952  211.5260  247.0607 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9062  211.5782  247.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7044  211.7397  245.6509 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7648  211.5213  248.6827 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.1671  213.2757  248.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8630  213.8783  247.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2528  213.7042  247.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9434  214.2721  246.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2578  215.0176  245.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8793  215.1873  245.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1843  214.6189  246.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4770  214.8797  246.7970 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.6455  213.6645  242.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9470  214.7718  243.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4032  216.0841  242.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5989  216.3099  242.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3270  215.2315  241.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8553  213.9218  241.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6064  217.0493  243.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2648  218.0000  244.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2043  210.5491  239.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3214  210.9264  239.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 42  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  6  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 40  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <CHROM.1>
-179.77411532,-178.92190689,179.54248629,38.63524678,0.85140024,179.41639188
104.36816751,-179.49253547,-101.56609990,-52.49258719,-82.79940995,129.65178062
196.31078862,212.26655287,243.68801021,-0.82626944,-0.59227400,1.20651599

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446041/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.52962

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.390476

>  <SCORE.INTRA>
-8.87038

>  <SCORE.INTRA.DIHEDRAL>
-5.35186

>  <SCORE.INTRA.DIHEDRAL.0>
16.5381

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.19445

>  <SCORE.INTRA.VDW.0>
0.275078

>  <SCORE.INTRA.norm>
-0.211199

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.179277

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000155

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  213.4468  172.3474  244.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5178  173.4048  244.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0118  174.7893  244.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0856  175.8587  244.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5475  177.2312  244.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5879  178.3361  244.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0558  179.7197  244.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1002  180.8223  244.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5819  182.1825  243.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7272  182.6631  242.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3019  183.9551  242.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6801  184.7662  243.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5654  184.2946  244.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9889  183.0062  244.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4004  186.1069  242.9341 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1919  186.6146  242.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.5564  186.2368  242.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
-179.83041061,-179.85003220,-179.99844753,-179.82718158,-179.74901393,-179.85456173
-90.62134883,-49.50018338,214.88515890,179.85314471,244.02011277,1.64703455
0.48462430,2.97891755

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446042/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.4598

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.893333

>  <SCORE.INTRA>
-0.940214

>  <SCORE.INTRA.DIHEDRAL>
-0.237886

>  <SCORE.INTRA.DIHEDRAL.0>
1.3261

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.82127

>  <SCORE.INTRA.VDW.0>
-0.536867

>  <SCORE.INTRA.norm>
-0.0626809

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.830652

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000244

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  216.1070  200.0814  254.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8139  200.3060  253.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2874  199.3369  253.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0333  199.5040  252.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3812  198.4414  251.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1278  198.6333  251.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1020  197.6825  251.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9519  197.8395  250.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7853  198.9659  249.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8286  199.8915  249.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9849  199.7401  250.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7088  199.0397  248.5758 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8641  197.0520  252.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8014  196.0907  250.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2329  194.7818  251.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7628  194.4198  252.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7744  195.3710  253.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3515  196.6826  253.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0483  193.0807  252.7668 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5416  200.8762  252.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0248  201.8682  252.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0987  201.6194  253.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3439  202.5521  254.8054 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9756  199.6799  248.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9809  199.1705  247.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3050  192.4357  252.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.9570  192.7722  252.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0714  202.2789  255.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 22  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 28  1  0  0  0  0
M  END
>  <CHROM.1>
-144.50542301,-143.03962564,106.58808506,-47.05593966,212.43588221,198.41312431
251.99168880,0.32011844,-0.65186341,0.12934951

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446043/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.06617

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-5.33383

>  <SCORE.INTRA.DIHEDRAL>
-16.5311

>  <SCORE.INTRA.DIHEDRAL.0>
26.7899

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.93172

>  <SCORE.INTRA.VDW.0>
-2.58698

>  <SCORE.INTRA.norm>
-0.231906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.17679

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003915

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  196.9458  211.7110  247.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0698  212.8768  247.0146 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.9594  213.1253  248.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7729  213.5902  247.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0318  213.0039  245.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2290  213.0166  244.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3823  212.6387  245.7587 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0687  213.1666  244.5666 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6307  214.5288  244.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1087  214.3564  246.7257 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.1435  212.2730  243.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3083  212.5743  243.7327 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6156  211.0397  243.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5321  210.1195  243.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5706  209.6177  244.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3678  208.5818  244.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6841  210.4425  244.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8478  210.1621  244.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8604  211.1345  244.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9995  210.8797  245.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1652  209.6604  246.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4909  209.5903  247.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8573  211.0771  247.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1977  211.7547  245.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1957  208.6804  246.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0344  208.9419  245.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6521  211.3484  243.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  1  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-123.52827113,179.59713791,72.71236738,92.53965504,-177.71567840,198.54534421
211.63836904,245.57641594,-2.89171500,0.27045869,-2.38089233

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446044/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.04384

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.35616

>  <SCORE.INTRA.DIHEDRAL>
-1.24034

>  <SCORE.INTRA.DIHEDRAL.0>
4.16446

>  <SCORE.INTRA.POLAR>
-0.511092

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00171822

>  <SCORE.INTRA.VDW.0>
-0.565274

>  <SCORE.INTRA.norm>
-0.0906217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.309378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000140

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  210.7643  192.2537  245.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1783  192.5438  243.9900 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.8841  193.3642  244.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7641  192.9218  243.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0253  194.6546  244.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1153  193.3248  243.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7951  193.5455  241.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7847  193.1641  241.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8038  194.4442  241.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9054  194.9483  242.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7102  195.8726  241.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4586  196.2827  240.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4041  195.7888  239.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5684  194.8576  239.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4663  197.2741  239.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5309  197.7730  238.6355 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2454  197.4668  240.8512 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8908  196.6017  241.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4308  196.4061  242.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4417  198.3058  240.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2121  199.6661  241.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6006  199.5950  242.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4053  199.4078  244.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8244  199.2284  245.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4375  199.2465  245.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6294  199.4638  244.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2075  199.6431  243.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9022  195.0517  244.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1810  195.2026  244.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
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 17 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-109.27439009,173.37711172,1.25993239,0.07951805,102.12733350,53.97755414
85.13535049,212.94599471,196.15679280,242.40730554,3.07996367,-0.77196194
-1.83164906

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446045/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.94238

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-7.45762

>  <SCORE.INTRA.DIHEDRAL>
-10.5592

>  <SCORE.INTRA.DIHEDRAL.0>
14.4674

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.17803

>  <SCORE.INTRA.VDW.0>
-0.467115

>  <SCORE.INTRA.norm>
-0.276208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.183051

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.052644

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  193.3597  213.1762  256.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8726  214.4192  256.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2021  214.6544  256.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0152  215.7584  255.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2175  215.2908  255.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1865  213.9762  255.1735 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9373  213.5761  255.5750 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3871  212.2860  255.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1338  212.0652  255.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5835  216.3374  255.0993 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.2394  217.0927  253.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8657  217.7445  253.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7043  219.0806  253.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4392  219.6793  253.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3247  218.9496  253.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4667  217.6345  253.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7325  217.0364  253.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6096  219.7455  253.5467 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.6741  217.0803  256.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3619  218.1451  256.7276 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  3  0  0  0  0
M  END
>  <CHROM.1>
-83.52803671,52.98773886,88.77283727,195.20343390,216.87384210,254.68140144
1.15639414,-0.04463833,2.75433098

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446046/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.81748

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.582518

>  <SCORE.INTRA.DIHEDRAL>
3.9726

>  <SCORE.INTRA.DIHEDRAL.0>
0.752982

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.56882

>  <SCORE.INTRA.VDW.0>
-0.788211

>  <SCORE.INTRA.norm>
-0.0291259

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.390874

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  207.9145  218.1377  256.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7787  217.3686  256.1445 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5929  216.2078  256.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3108  215.8140  257.7399 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3987  215.4308  256.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1073  214.2104  256.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9043  213.5199  256.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9625  214.0540  255.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3772  215.1376  255.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5488  215.8591  255.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4505  213.6865  255.8675 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.4327  214.8561  255.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8232  215.3639  256.6346 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2083  215.2405  254.3629 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2327  216.2149  253.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8859  217.3513  253.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8551  218.3061  252.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8207  217.5735  251.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1430  216.4605  252.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1680  215.4990  253.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1210  212.5997  254.8436 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1129  212.3919  253.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6198  212.6736  252.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6049  211.9291  251.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8634  212.6728  250.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5998  213.8852  250.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0716  213.8934  252.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8800  211.9239  254.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0934  212.2637  255.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5492  210.6384  254.2228 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8769  211.2146  252.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1645  210.1530  252.3609 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1124  209.2493  251.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7815  208.5320  250.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7682  207.8043  250.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0683  207.7915  250.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3697  208.4448  251.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3771  209.1646  252.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6767  209.8521  253.7274 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8226  214.8144  253.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  6  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 30 28  1  1  0  0  0
 30 39  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <CHROM.1>
-0.30316192,179.88652358,137.27070094,-101.63483517,-18.40616482,123.03469622
-116.80956311,-126.33032020,-91.96690457,201.34821360,213.48172738,253.88615497
-0.82575666,0.48053259,-2.91307243

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446047/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.26978

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.369231

>  <SCORE.INTRA>
-5.13022

>  <SCORE.INTRA.DIHEDRAL>
-1.84683

>  <SCORE.INTRA.DIHEDRAL.0>
8.67979

>  <SCORE.INTRA.POLAR>
-0.880993

>  <SCORE.INTRA.POLAR.0>
-0.119007

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21143

>  <SCORE.INTRA.VDW.0>
-4.781

>  <SCORE.INTRA.norm>
-0.131544

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.237687

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000012

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  190.3282  221.2042  245.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6837  219.9654  244.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9162  219.6051  243.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1779  218.4290  242.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1822  217.5808  243.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9664  217.9513  244.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7642  219.1619  245.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7187  219.4970  246.0595 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5159  220.3943  246.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0178  221.3248  247.1043 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.3262  220.7004  248.0200 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1413  220.6911  249.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9238  221.6888  250.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2395  221.6201  251.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4001  220.9051  252.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5760  219.9129  251.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0261  219.0375  252.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0115  218.1726  252.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5720  218.2487  250.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2647  219.0531  249.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3466  219.8565  250.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2178  220.2585  247.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-120.15693184,-148.92867590,191.85565713,219.86854029,247.93446505,-1.98077916
0.96849376,1.79855776

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446048/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.67797

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-2.72203

>  <SCORE.INTRA.DIHEDRAL>
0.0363721

>  <SCORE.INTRA.DIHEDRAL.0>
0.955043

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.74021

>  <SCORE.INTRA.VDW.0>
1.10009

>  <SCORE.INTRA.norm>
-0.12962

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.222761

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000253

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  190.9526  219.4972  254.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7185  219.3423  253.6656 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3530  219.3595  254.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3691  218.3723  254.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2505  218.9979  255.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9738  218.6259  255.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1863  219.5538  256.2701 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.6533  220.8023  256.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8460  221.2628  256.0052 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6009  220.3237  255.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8722  220.5284  254.9302 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5733  221.8041  255.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9068  222.9780  254.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6290  224.2018  254.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1057  223.8209  256.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7634  222.3447  256.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4225  217.3532  255.6396 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4606  216.9572  254.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5985  216.4878  253.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6660  215.1804  252.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6433  214.2839  253.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5126  214.7201  253.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4168  216.0509  254.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7977  212.9949  252.7854 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3176  211.9759  253.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3900  211.9897  254.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8370  210.9435  255.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2553  209.8614  255.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2344  209.8199  253.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7684  210.8768  252.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7025  220.3212  252.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0848  217.0143  256.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.7604  217.2960  254.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.9231  220.1670  252.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <CHROM.1>
-110.49216637,177.64497062,-1.10933880,127.54989405,116.79177400,144.14529989
-37.36041838,187.37473854,217.55535273,254.60382361,-1.45277364,-0.47173412
-2.96788051

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446049/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.66766

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-5.73234

>  <SCORE.INTRA.DIHEDRAL>
-12.988

>  <SCORE.INTRA.DIHEDRAL.0>
20.1218

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.761667

>  <SCORE.INTRA.VDW.0>
-3.60373

>  <SCORE.INTRA.norm>
-0.184914

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.182828

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001188

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  192.4666  206.6818  246.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7586  206.9565  246.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8257  208.1215  247.6076 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9628  208.4638  248.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9947  209.6907  248.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1255  210.1442  249.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2547  209.3440  249.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2482  208.1075  248.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1125  207.6425  248.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0166  206.4193  247.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8292  206.0835  246.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2044  205.5309  247.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2803  205.8657  247.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0184  204.3615  246.5855 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0745  203.5081  246.4956 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9178  202.3672  245.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0506  201.4133  245.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8414  200.2210  245.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8685  199.2939  244.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1140  199.5408  245.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3282  200.7190  246.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3044  201.6643  246.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6847  202.8118  247.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3953  202.8567  248.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1122  204.0696  246.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-0.11983815,174.72978259,-176.76016280,87.65679408,197.42944907,204.88582831
247.19027034,2.18485447,-0.35757698,0.52557285

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446058/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.35296

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-3.04704

>  <SCORE.INTRA.DIHEDRAL>
-6.08062

>  <SCORE.INTRA.DIHEDRAL.0>
10.9494

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00673084

>  <SCORE.INTRA.VDW.0>
-0.0604372

>  <SCORE.INTRA.norm>
-0.12696

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.264707

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000117

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  205.2317  195.7998  246.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2625  195.8101  247.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1328  195.8222  248.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7080  195.8710  249.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5003  197.1473  249.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6507  198.3821  249.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0341  198.3756  248.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2687  197.0767  247.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3066  194.6288  247.9085 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9462  193.4208  248.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1381  193.2996  248.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0865  192.3588  247.8258 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3972  191.0255  248.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5417  189.9791  247.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8399  188.6620  248.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9758  188.3847  248.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8143  189.4188  249.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5291  190.7265  248.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2347  192.5496  247.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-133.61794651,58.36162139,-0.27005404,-172.79490558,203.18033551,193.74501727
248.34177617,1.39727559,-0.73386882,-0.12538650

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446060/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.258787

>  <SCORE.INTRA.VDW.0>
-0.26481

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  206.2937  200.5282  250.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9036  200.8871  249.3789 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.0126  199.8311  248.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8880  199.4287  247.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0863  200.1073  247.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1435  201.0410  248.6393 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1199  199.8652  246.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9157  198.9415  245.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6694  198.2985  245.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6509  198.5385  246.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3500  197.4138  244.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6780  196.4065  244.6188 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8030  197.8079  243.0294 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0572  198.9806  242.3628 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.9740  199.4357  241.3182 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2857  199.2047  241.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2938  199.6532  241.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2300  198.2495  242.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2260  197.8433  243.4231 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5777  200.3495  240.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3663  201.7042  240.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2602  202.5233  240.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7143  203.7407  241.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0618  203.5808  241.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4656  202.3425  241.3244 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6428  200.1629  243.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6291  200.9478  243.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2967  201.8900  244.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9660  202.0495  245.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9687  201.3249  244.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2999  200.4096  243.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3605  202.5541  245.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0876  203.3646  246.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3536  203.9596  247.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8932  203.7643  248.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  1  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
142.09224233,-72.60926801,63.72757962,70.73357222,-116.78610419,-170.45129232
176.53970286,-118.28735961,206.73781625,200.49625816,244.62902438,-3.13365900
1.53163815,-0.06960894

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446061/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.04409

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.382857

>  <SCORE.INTRA>
-4.35591

>  <SCORE.INTRA.DIHEDRAL>
5.34769

>  <SCORE.INTRA.DIHEDRAL.0>
5.71092

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.02975

>  <SCORE.INTRA.VDW.0>
-2.433

>  <SCORE.INTRA.norm>
-0.124455

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.258403

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000125

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  201.6813  202.6049  253.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1075  203.9445  252.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7024  204.8695  251.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8254  205.9609  251.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6956  205.6952  252.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8697  204.4530  253.1311 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9596  203.8468  254.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4352  203.0189  255.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5534  202.3121  255.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1811  202.5349  255.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6935  203.4055  254.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5743  204.0227  253.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2231  203.5687  254.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4618  203.0167  255.5147 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8138  204.4052  253.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1387  201.3402  256.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3370  201.1173  256.9317 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2303  200.6668  257.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5279  206.6072  252.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0655  207.1474  250.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1819  207.2422  250.2734 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3698  208.3811  249.5428 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5722  208.5483  248.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4844  207.7256  248.8392 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6585  209.8242  248.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0012  209.6761  246.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5226  209.5411  245.7157 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8524  204.5404  253.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5753  199.9930  258.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6697  209.1165  249.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 29  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  3  0  0  0  0
M  END
>  <CHROM.1>
0.73072072,28.51035127,-2.11786517,3.08144225,-178.96682524,177.61957395
178.10058680,-82.27033407,199.84967019,204.98721252,252.69607312,-2.09396443
0.13419396,-0.79845361

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446062/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.15302

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-4.24698

>  <SCORE.INTRA.DIHEDRAL>
-9.01002

>  <SCORE.INTRA.DIHEDRAL.0>
13.8245

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.258032

>  <SCORE.INTRA.VDW.0>
0.0612147

>  <SCORE.INTRA.norm>
-0.157296

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.264927

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  216.6028  176.3021  244.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5493  176.8977  243.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6128  176.2817  242.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0149  176.3870  241.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0804  175.8058  242.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0081  176.3820  244.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3221  177.8665  241.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1290  178.6061  242.0295 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5524  178.2671  240.4387 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0072  175.6179  240.5773 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8013  179.2083  240.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.9728  175.5483  240.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5390  176.1940  239.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
110.00994784,-170.31094040,179.66328170,216.99500071,176.88049668,242.40308708
-1.71170575,-1.04688558,-1.31863566

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446064/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.58896

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.811043

>  <SCORE.INTRA.DIHEDRAL>
-1.58229

>  <SCORE.INTRA.DIHEDRAL.0>
2.49818

>  <SCORE.INTRA.POLAR>
0.27717

>  <SCORE.INTRA.POLAR.0>
-0.492448

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.962277

>  <SCORE.INTRA.VDW.0>
0.532078

>  <SCORE.INTRA.norm>
-0.0811043

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.658896

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017985

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 15  0  0  0  0  0  0  0  0999 V2000
  185.7887  209.9107  250.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6493  210.5880  251.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0363  211.9320  252.3418 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.1170  213.1246  251.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4016  213.1472  250.4502 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.5668  211.9162  249.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9851  210.8378  250.6236 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.4941  211.6427  251.9072 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6733  213.0422  251.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4045  211.8193  253.0322 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.4605  210.7694  254.0470 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7550  210.8920  254.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.4185  210.7525  254.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-58.18231483,186.23129504,211.68535160,251.60256779,1.93382742,0.95485336
1.77401581

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446065/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.344

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0560046

>  <SCORE.INTRA.DIHEDRAL>
-0.0128634

>  <SCORE.INTRA.DIHEDRAL.0>
0.0243757

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0495729

>  <SCORE.INTRA.VDW.0>
-0.356778

>  <SCORE.INTRA.norm>
-0.00509133

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.576727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003641

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  205.5329  198.6441  248.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4198  198.6102  249.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2493  197.3198  249.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3298  199.8494  249.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1606  199.9436  251.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4294  199.9155  252.2937 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7896  201.0763  252.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4351  202.0642  253.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2566  201.2131  252.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3672  200.0367  252.3697 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0422  199.2051  253.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5056  197.7280  253.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9643  197.4877  253.5317 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2355  196.1231  252.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9041  194.9935  253.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6508  195.1515  255.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3674  196.4171  255.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6440  197.5895  254.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6203  199.9599  251.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8549  200.7383  250.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5020  198.9428  251.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9190  197.8013  250.2590 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5182  197.5908  248.9885 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0086  196.3502  248.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6207  195.8413  249.9023 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5354  196.7632  250.8449 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9312  195.5914  247.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2904  196.1579  246.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1650  195.4367  245.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6761  194.1530  245.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3251  193.5733  246.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4527  194.2959  247.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5493  193.4579  244.0058 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.0388  199.0397  252.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
175.00667975,-56.28296520,-77.61741909,-70.24003502,21.98878864,74.17109705
-116.41640569,62.20363466,-156.53390315,-101.88579366,-105.52534867,-0.12622035
204.80361179,197.58396595,250.57752237,3.08722746,1.17013128,2.68739786

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446074/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.92101

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.527273

>  <SCORE.INTRA>
-9.47899

>  <SCORE.INTRA.DIHEDRAL>
0.900947

>  <SCORE.INTRA.DIHEDRAL.0>
8.12925

>  <SCORE.INTRA.POLAR>
-0.758905

>  <SCORE.INTRA.POLAR.0>
-0.241095

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.34919

>  <SCORE.INTRA.VDW.0>
-1.01

>  <SCORE.INTRA.norm>
-0.287242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.240031

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000801

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  195.8116  219.8339  256.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5880  218.6515  255.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4156  218.7866  254.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3339  217.4497  256.4974 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0274  216.2053  256.1867 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.2891  215.1687  257.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2681  216.0307  257.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2913  217.2885  257.3751 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3281  215.5033  258.5608 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2783  216.0992  259.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3139  215.4534  259.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2852  216.3178  260.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5327  217.6158  260.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9009  217.7655  259.0535 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.1603  215.9124  261.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0971  214.7736  261.9729 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2350  213.9664  261.8626 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8661  213.9279  263.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9448  216.8681  261.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9354  217.9546  260.8603 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0393  216.4920  262.3422 O   0  5  0  0  0  0  0  0  0  0  0  0
  198.4642  216.2658  256.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6569  216.0315  255.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6879  216.3215  256.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0625  216.7222  258.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7148  216.6958  257.8576 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3893  214.4925  258.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  1  21  -1
M  END
>  <CHROM.1>
-126.97700698,-174.02765050,174.13262588,15.27152795,3.79903546,111.27516921
194.21144236,216.60427860,258.79923903,0.41389834,0.38536972,-0.65588360

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446075/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-11.3553

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-22.7553

>  <SCORE.INTRA.DIHEDRAL>
-47.6401

>  <SCORE.INTRA.DIHEDRAL.0>
50.2704

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.06477

>  <SCORE.INTRA.VDW.0>
-2.91481

>  <SCORE.INTRA.norm>
-0.875203

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
-0.436741

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  186.9893  207.9675  250.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3026  209.0045  251.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8156  208.3425  252.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1205  209.3961  253.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6332  208.7619  255.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9509  209.8049  256.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4564  209.1939  257.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4618  208.3163  258.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4978  206.9907  258.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3134  206.5882  259.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5440  207.6624  259.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2000  208.8887  258.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-179.80744095,179.87380842,179.72125616,179.47172753,-63.00208364,113.73617265
187.93721861,208.43268427,255.97909578,1.62865598,-0.81420454,-1.42599038

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446076/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3363

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-1.0637

>  <SCORE.INTRA.DIHEDRAL>
0.084521

>  <SCORE.INTRA.DIHEDRAL.0>
0.0371562

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.10596

>  <SCORE.INTRA.VDW.0>
0.220561

>  <SCORE.INTRA.norm>
-0.0886419

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.861358

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007766

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  211.4758  194.6496  244.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4249  193.7815  245.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0907  192.5501  245.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7934  192.2658  243.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8543  193.0857  242.8803 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1974  194.2609  242.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0976  191.5892  246.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0440  191.9613  247.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4854  191.7792  247.1855 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.9295  191.5266  248.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9377  190.8045  249.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8327  190.0119  248.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8810  189.2946  248.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7669  188.5558  248.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6067  188.5347  246.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5631  189.2381  246.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6744  189.9766  246.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7109  187.6432  245.7173 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.1865  190.6680  250.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9005  192.1281  249.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0271  192.3984  250.6503 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6512  192.2811  248.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5400  192.5125  249.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1248  193.0374  246.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0193  192.9149  245.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5982  194.0483  244.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2904  195.3122  245.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4057  195.4691  246.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8213  194.3386  247.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8530  196.3932  244.8450 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.5398  191.2045  250.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  1  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-78.86357059,-74.93202567,-131.41183846,179.06777488,-2.24548436,215.19735605
191.92460891,246.71360423,-2.56456228,-0.58011344,2.06907635

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446077/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.85517

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-6.54483

>  <SCORE.INTRA.DIHEDRAL>
-14.0047

>  <SCORE.INTRA.DIHEDRAL.0>
17.5798

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.457518

>  <SCORE.INTRA.VDW.0>
-3.51416

>  <SCORE.INTRA.norm>
-0.218161

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0951724

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001267

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  208.9436  210.4173  248.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0578  209.8308  249.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7636  210.5910  249.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4732  211.3718  250.5154 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9552  210.2944  248.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7174  210.9951  248.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8562  210.6051  247.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9230  211.2483  246.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9229  209.4103  247.6261 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0322  209.4423  248.9446 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.9692  207.9385  249.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4183  207.5868  247.6227 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.9081  208.8478  246.6394 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.7076  208.6543  245.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3055  207.4650  244.5880 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.6231  206.3131  245.3235 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.7478  206.2233  247.0240 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.7593  205.0871  247.4616 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.2591  203.9842  246.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4942  204.3034  245.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3509  203.6402  245.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4545  203.3579  243.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5849  203.6686  242.7642 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8916  202.8445  243.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9186  203.6796  243.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3768  205.0270  244.3233 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.0003  205.6600  242.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6567  204.5063  249.1359 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.4073  207.0754  243.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7344  209.7453  246.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4857  209.8773  248.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2734  208.3417  247.7651 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1860  207.6212  246.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0855  207.3968  245.7621 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3837  207.0688  247.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1681  206.0816  248.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1582  206.9253  244.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  6  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  1  0  0  0
 16 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 29 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
-103.89310102,179.68954820,-178.31541478,-89.73902749,49.24566003,-84.37232070
56.36229683,-14.08184897,59.81216342,202.88632595,207.33830843,246.82893627
-0.77347501,-0.52075158,-2.05909877

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446078/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.48394

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-6.91606

>  <SCORE.INTRA.DIHEDRAL>
-9.69486

>  <SCORE.INTRA.DIHEDRAL.0>
17.4725

>  <SCORE.INTRA.POLAR>
-0.04635

>  <SCORE.INTRA.POLAR.0>
-0.95365

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.91103

>  <SCORE.INTRA.VDW.0>
0.272366

>  <SCORE.INTRA.norm>
-0.192113

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.18011

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006681

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  199.9099  186.4922  250.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4316  186.0675  249.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6275  186.9565  248.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1338  188.1668  248.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3432  189.0173  247.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0530  188.6289  247.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5119  187.4156  247.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2904  186.5835  248.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7944  185.3969  249.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2215  185.4896  250.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2269  187.2335  247.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7897  185.9439  246.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9701  190.1747  247.2559 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3092  191.1038  246.3872 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2559  192.3084  246.2010 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5546  191.8171  245.5321 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2523  191.0326  244.2439 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1563  189.9731  244.4567 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0045  190.5471  245.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6986  189.3508  243.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0300  190.2960  242.2891 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8825  191.9879  243.2354 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4187  192.9237  245.2183 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5218  192.9495  247.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5950  191.0808  242.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5885  192.6638  243.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6355  193.3414  246.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6727  193.2692  247.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 14 13  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  1  0  0  0
 16 17  1  0  0  0  0
 16 23  1  6  0  0  0
 17 18  1  0  0  0  0
 17 22  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <CHROM.1>
67.22048524,175.69519905,140.63156008,88.78845979,178.80837596,-61.05295016
61.77797103,53.19693963,-66.45388598,52.72798753,198.40784643,189.13393796
246.74780274,-2.04319192,-0.73930913,-1.01819233

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446079/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.82517

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-9.57483

>  <SCORE.INTRA.DIHEDRAL>
-4.82055

>  <SCORE.INTRA.DIHEDRAL.0>
16.2559

>  <SCORE.INTRA.POLAR>
-0.680559

>  <SCORE.INTRA.POLAR.0>
-0.173837

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.85065

>  <SCORE.INTRA.VDW.0>
4.20476

>  <SCORE.INTRA.norm>
-0.398951

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0760489

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  212.2931  196.9814  245.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4878  197.1138  244.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7802  196.6476  244.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6528  197.6181  245.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9519  197.2822  245.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3832  195.9598  245.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5393  194.9811  245.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2768  195.3286  244.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5538  194.3926  243.9441 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1661  193.1268  244.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6996  192.6094  245.2916 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0481  192.3555  243.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6925  193.0970  243.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6820  192.1482  242.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0497  193.5777  244.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9694  194.2914  242.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3994  193.9958  241.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1641  195.1481  240.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2756  195.4922  241.2803 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9897  196.5770  240.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6104  194.4730  242.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6821  194.8836  242.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-100.12114854,-128.87945568,-15.05597223,-49.76671144,-176.36449225,67.22071367
-158.02073493,55.83446742,-179.17639457,213.89405605,194.90932934,243.67257522
0.08921067,0.77878966,2.13985859

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446080/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.16573

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.72

>  <SCORE.INTRA>
-11.2343

>  <SCORE.INTRA.DIHEDRAL>
0.394274

>  <SCORE.INTRA.DIHEDRAL.0>
3.28689

>  <SCORE.INTRA.POLAR>
-1.70416

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.63727

>  <SCORE.INTRA.VDW.0>
3.31634

>  <SCORE.INTRA.norm>
-0.561713

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.158287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001874

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 55 58  0  0  0  0  0  0  0  0999 V2000
  199.5594  220.4413  258.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9676  218.9911  258.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3963  218.9490  258.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9523  217.6524  258.3569 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.4907  217.7467  258.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9194  218.0547  256.9986 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.0051  217.1490  256.2473 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7060  217.1216  256.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4307  216.0263  255.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5324  214.9344  256.1442 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8548  216.1490  254.0621 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8082  216.9125  253.1842 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6149  215.9387  252.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2489  216.3892  252.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1827  216.1596  253.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8590  216.3241  253.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5804  216.7421  251.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6269  217.0202  250.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9597  216.8416  251.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3342  218.1689  253.8260 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9987  219.3649  253.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1389  219.5386  252.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2581  220.4225  254.1479 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.9967  220.7294  255.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5126  221.6688  255.2618 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.1618  222.8732  254.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1199  221.7448  256.5614 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6175  220.7276  254.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9323  221.7047  253.4756 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0096  221.9153  252.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7257  223.0697  252.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2705  220.7167  251.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0422  219.6269  252.7295 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2124  219.8375  253.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5660  219.0379  254.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8007  219.0431  256.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6275  219.7881  256.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2445  220.5975  255.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0199  221.2833  255.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6421  222.1686  254.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5296  222.4427  253.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7384  221.7475  252.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0934  220.7241  253.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1202  216.8443  254.0299 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4759  218.4550  256.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2767  217.6078  256.4527 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9175  219.6986  257.2688 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3466  220.1904  257.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9854  220.3817  255.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3847  221.5648  258.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2724  219.2530  258.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4858  218.1466  254.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3305  222.5644  253.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9495  217.7348  254.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1858  220.4084  257.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  1  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 43  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 44 54  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 55  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
M  END
>  <CHROM.1>
-177.86105137,-175.24680681,101.79467556,87.29300041,-49.09237302,-74.16753900
-62.39508073,162.50014902,144.88283508,-118.23673155,53.30176034,70.27445008
68.67006803,55.23872994,31.24233814,64.49506673,-149.49076842,68.59838617
201.52618112,219.27575076,254.92667463,3.13355091,0.39007041,-2.82085685

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446081/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.51325

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.439216

>  <SCORE.INTRA>
-16.8868

>  <SCORE.INTRA.DIHEDRAL>
-9.52513

>  <SCORE.INTRA.DIHEDRAL.0>
22.7679

>  <SCORE.INTRA.POLAR>
-0.556499

>  <SCORE.INTRA.POLAR.0>
-1.72596

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.2321

>  <SCORE.INTRA.VDW.0>
-4.77259

>  <SCORE.INTRA.norm>
-0.331113

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
51

>  <SCORE.norm>
0.108103

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008503

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  199.6763  213.5325  260.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0521  214.1811  260.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0394  215.5517  260.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1914  216.7086  260.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4153  216.7965  262.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7375  217.4689  262.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9380  216.5801  262.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2145  216.4447  260.9005 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7537  217.7488  260.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1814  215.2861  260.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5552  213.9067  260.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1227  213.6917  262.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3672  212.1405  262.2265 P   0  0  0  0  0  0  0  0  0  0  0  0
  204.6756  211.4661  262.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6965  212.5746  263.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6118  210.5892  262.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9098  215.5906  258.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2593  213.2626  264.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6614  210.7997  262.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
106.07049588,119.57649798,-70.17773973,70.83234492,70.54334905,72.78611148
-61.18203840,177.89272501,92.64794719,-25.80293930,67.13896745,202.88655829
214.44608182,261.55701062,1.45260627,0.23611093,2.87447514

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446082/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.42682

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.847059

>  <SCORE.INTRA>
-4.97318

>  <SCORE.INTRA.DIHEDRAL>
-3.91648

>  <SCORE.INTRA.DIHEDRAL.0>
8.19681

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.01494

>  <SCORE.INTRA.VDW.0>
0.172466

>  <SCORE.INTRA.norm>
-0.29254

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.554519

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.094754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 53 52  0  0  0  0  0  0  0  0999 V2000
  187.2631  208.4390  256.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6726  209.0053  256.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6762  210.4965  256.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0900  211.0719  256.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0734  212.5785  256.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4655  213.1338  256.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9189  213.9827  255.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3053  214.5506  255.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2761  216.0280  255.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8665  216.6203  256.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8419  218.0996  257.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2578  218.6709  257.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2620  220.1117  257.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6665  220.7021  257.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6463  219.8893  258.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0781  220.3030  258.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1006  219.2936  258.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9318  217.9734  257.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5644  217.6067  257.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9585  217.2488  258.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4495  216.1438  257.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5249  215.2272  258.6653 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6906  214.2353  257.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8603  213.3226  258.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8226  213.8770  259.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5106  215.0580  259.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1735  212.8526  260.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9887  212.2025  259.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4089  211.0441  258.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1855  211.5024  257.3705 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9032  211.0657  256.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0238  210.2537  255.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7306  211.6460  255.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5786  211.2922  253.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1973  211.7040  253.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6406  212.0912  253.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8636  209.8000  253.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2731  214.5263  259.7061 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6540  214.2864  260.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5726  214.7541  261.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4612  213.3547  261.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3501  211.9148  261.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9427  211.3387  261.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5972  211.1748  262.8305 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8575  212.1065  263.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3874  213.0907  262.9341 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7420  211.8101  264.8043 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9615  212.6949  265.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4830  212.6928  265.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0470  212.1489  267.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5569  214.1129  265.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9356  212.1707  257.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9343  210.3748  263.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  6  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 53  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
M  END
>  <CHROM.1>
-179.60496751,176.93234872,178.36377458,113.30230421,-113.09846772,118.66848477
-118.79079237,-169.01362954,-177.81252846,-59.08740306,167.15859108,-164.29391786
64.39818483,95.91912743,164.40293263,170.65910602,165.95275049,177.30686270
145.18082896,67.20561282,3.62271539,-94.43723351,83.98042435,-67.40617722
-133.03121883,179.70682458,62.73247242,-9.69769517,-75.44393528,-68.34899969
-66.46222228,97.57453832,-178.97642816,64.41112141,195.06238252,213.87897850
258.70969061,2.95931851,-0.83142208,-1.17055863

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446083/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
30.6617

>  <SCORE.INTER>
39.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
34

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.772549

>  <SCORE.INTRA>
-8.73827

>  <SCORE.INTRA.DIHEDRAL>
5.61137

>  <SCORE.INTRA.DIHEDRAL.0>
15.5144

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.23019

>  <SCORE.INTRA.VDW.0>
0.0352959

>  <SCORE.INTRA.norm>
-0.171339

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
51

>  <SCORE.norm>
0.60121

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008581

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 27  0  0  0  0  0  0  0  0999 V2000
  205.1804  200.8476  254.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7267  201.4315  252.8811 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0680  200.3866  251.7906 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.7831  199.8498  251.1428 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.9259  201.0223  250.6596 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6240  201.9772  251.8335 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8404  202.4570  252.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8818  203.0675  251.3293 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2352  204.1134  252.5463 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.5906  204.7749  252.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5367  205.0334  251.3981 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5886  205.1594  253.7631 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6714  201.6873  249.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0987  199.0075  250.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8946  199.3189  252.2615 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5946  201.6504  255.2648 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7618  203.1636  255.3631 P   0  0  0  0  0  0  0  0  0  0  0  0
  205.2789  203.4067  256.7781 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8471  203.8340  254.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9290  204.6768  255.4614 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0906  205.0075  250.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1168  204.9468  254.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8107  201.0390  248.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2395  198.6805  249.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4106  198.8440  252.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4670  204.0009  253.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0708  205.0924  254.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  1  0  0  0
  4  5  1  0  0  0  0
  4 14  1  6  0  0  0
  5  6  1  0  0  0  0
  5 13  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <CHROM.1>
147.36185450,73.47396980,61.71620300,177.94702682,60.90081326,170.65481481
77.15071482,-31.52381583,-96.71523903,166.33730645,107.80302750,31.88622647
204.29542732,202.53137972,252.92260061,-1.04908482,-0.79449407,1.02156357

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446084/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.27201

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-12.672

>  <SCORE.INTRA.DIHEDRAL>
-7.37943

>  <SCORE.INTRA.DIHEDRAL.0>
17.3883

>  <SCORE.INTRA.POLAR>
-2.06976

>  <SCORE.INTRA.POLAR.0>
-0.420476

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94512

>  <SCORE.INTRA.VDW.0>
-1.2507

>  <SCORE.INTRA.norm>
-0.633601

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
-0.113601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006343

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  200.1192  189.8925  244.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8654  189.9333  243.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1282  190.5634  243.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9024  190.6660  242.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5922  190.3329  241.4176 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1584  191.3840  242.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0393  191.6482  241.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2400  192.3016  242.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5740  192.7216  243.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6767  192.4726  244.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4676  191.8155  244.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8908  193.4482  243.6147 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.6555  194.8542  244.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3381  195.3267  245.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1859  196.7090  245.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5409  197.7104  244.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2959  197.0554  244.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6518  195.7568  243.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1122  195.4528  242.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5346  198.1155  243.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1326  198.9800  245.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2985  194.5788  245.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5134  193.2444  245.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8289  192.6888  244.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0311  191.2736  244.2526 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.8960  190.9013  243.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3113  190.5227  245.1938 O   0  5  0  0  0  0  0  0  0  0  0  0
  210.4730  192.6757  246.3546 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1798  193.3371  246.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1031  192.0882  247.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12  9  1  1  0  0  0
 12 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
-179.98579970,3.41965404,-176.23240695,118.42484543,-30.94564380,206.44126938
193.28853385,244.02825308,2.41402968,0.24640161,-3.08170603

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446085/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86364

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-3.53636

>  <SCORE.INTRA.DIHEDRAL>
-6.66007

>  <SCORE.INTRA.DIHEDRAL.0>
7.9433

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.206325

>  <SCORE.INTRA.VDW.0>
-0.861621

>  <SCORE.INTRA.norm>
-0.126299

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.24513

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002297

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  201.4239  216.4496  252.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6675  215.2414  252.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6284  215.6063  253.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3252  215.9467  253.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3905  216.3696  254.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7538  216.4529  255.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0235  216.0511  256.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9579  215.6308  255.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8584  217.0048  256.7001 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0607  218.6272  257.1345 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7789  219.0889  257.6213 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2491  218.7513  257.9526 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3934  219.5958  255.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6328  220.5276  255.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3018  221.0330  253.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5398  220.4607  253.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9118  219.3474  254.9283 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.6767  220.7746  252.4615 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.8192  216.4568  257.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
88.31464203,-97.24585399,155.83429455,109.03821447,198.40670849,218.27574194
254.93763802,0.11771300,-0.92533558,2.76541535

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446086/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.12141

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-1.27859

>  <SCORE.INTRA.DIHEDRAL>
-0.0320856

>  <SCORE.INTRA.DIHEDRAL.0>
2.80422

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.26255

>  <SCORE.INTRA.VDW.0>
-2.6492

>  <SCORE.INTRA.norm>
-0.0710329

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.451189

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000226

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  204.9087  202.1153  253.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8479  203.1763  253.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0595  204.3493  252.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1811  205.4231  252.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0999  205.3516  253.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8257  204.1484  254.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7008  203.0647  254.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4034  206.6034  254.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1054  206.6657  254.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0798  207.7625  254.3952 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.1547  207.2111  253.4125 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1583  205.8370  253.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5113  205.0947  252.6981 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2518  205.4287  254.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2351  204.5028  255.1738 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3659  208.8968  255.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9781  210.1922  255.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4745  211.3180  255.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3543  211.1811  256.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7508  209.9200  256.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2560  208.7818  255.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4908  207.2686  256.2153 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.1105  207.7478  253.8488 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7990  207.7354  252.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5230  208.5070  254.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  1  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
148.92824474,174.21587630,89.41441360,199.82227096,206.62294564,254.53512268
-0.75941161,0.20011070,0.17925530

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446087/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.89142

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-3.50858

>  <SCORE.INTRA.DIHEDRAL>
-9.88183

>  <SCORE.INTRA.DIHEDRAL.0>
13.9701

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.43233

>  <SCORE.INTRA.VDW.0>
-2.25505

>  <SCORE.INTRA.norm>
-0.152547

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.169192

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000132

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  222.2489  184.1779  249.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1306  183.0593  249.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5149  182.1034  250.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4455  182.2716  248.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1310  183.0671  246.7991 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.4360  183.5948  246.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7701  184.7694  246.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2470  182.5987  245.7313 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4615  182.2183  245.7840 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8724  182.8006  244.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4977  183.2715  243.7341 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3677  182.8016  244.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0764  182.9717  245.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.9490  181.3561  245.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
64.11555056,61.31708835,-110.69194475,167.64972096,-178.50547761,73.44293978
222.37561498,183.06364339,246.74039705,1.16001496,0.25299451,1.67302613

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446088/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.95643

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-2.44357

>  <SCORE.INTRA.DIHEDRAL>
-1.77318

>  <SCORE.INTRA.DIHEDRAL.0>
3.38527

>  <SCORE.INTRA.POLAR>
0.217557

>  <SCORE.INTRA.POLAR.0>
-0.217557

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.29667

>  <SCORE.INTRA.VDW.0>
0.466376

>  <SCORE.INTRA.norm>
-0.203631

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.663036

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010726

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  115.8067  192.4108  633.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
  116.6876  192.2326  632.3616 N   0  3  0  0  0  0  0  0  0  0  0  0
  116.5234  193.0517  631.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
  118.1396  192.2725  632.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
  116.3127  191.0370  631.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  115.1016  191.2014  630.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
  115.5845  191.6926  629.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
  115.8907  193.0232  629.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
  116.0650  193.7038  630.3098 O   0  0  0  0  0  0  0  0  0  0  0  0
  116.3034  193.4553  627.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
  117.7013  193.6160  627.7358 O   0  0  0  0  0  0  0  0  0  0  0  0
  118.4518  192.5216  628.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  119.3505  192.6377  629.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
  120.1909  191.5745  629.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
  120.1210  190.3830  628.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
  119.2430  190.2509  627.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  118.4140  191.3181  627.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  121.1439  189.0684  629.2321 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  119.4551  194.0992  630.0824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
78.09837611,89.87073155,-77.26191396,16.92070652,-102.67492157,54.00749820
-115.72545954,118.07394168,191.99517739,629.78775960,-2.92640002,0.63082982
-1.12305637

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446089/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.70464

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-6.69536

>  <SCORE.INTRA.DIHEDRAL>
5.48658

>  <SCORE.INTRA.DIHEDRAL.0>
6.15216

>  <SCORE.INTRA.POLAR>
-1.49984

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.33919

>  <SCORE.INTRA.VDW.0>
2.48617

>  <SCORE.INTRA.norm>
-0.371964

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.316925

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  191.5748  212.9787  257.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5061  213.8398  258.5717 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3242  213.2026  259.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5741  212.7419  259.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4521  212.1777  259.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0237  211.9254  261.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7395  212.2728  261.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9085  212.9486  260.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2948  211.7958  263.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0027  210.8412  263.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2206  210.3188  263.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6422  209.1804  263.1924 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8232  211.1333  262.0935 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4925  209.9902  264.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7655  208.7359  264.5331 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4021  208.4728  265.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2580  208.1286  264.1109 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.9340  207.8791  264.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1651  206.9771  263.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2230  206.4653  262.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4775  206.8639  263.4828 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5056  207.5558  264.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5449  206.8144  265.3540 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.1774  207.0489  263.0336 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8543  207.2768  261.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1205  208.3641  261.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9740  209.0787  261.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8418  210.0467  260.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9058  209.8568  259.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6905  208.8417  259.9200 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0730  212.7949  257.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1825  214.0927  257.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6883  210.7659  261.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2152  206.7416  262.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  6 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 17 16  1  1  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 25 26  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
93.46216485,58.87530402,86.68211186,-125.42090064,125.62307817,60.87233003
179.58519795,94.58978648,-96.84636256,-3.89642403,193.06751631,209.87018476
261.95010713,1.24581670,-0.25587808,-0.85640833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446098/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.91671

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-10.4833

>  <SCORE.INTRA.DIHEDRAL>
5.42089

>  <SCORE.INTRA.DIHEDRAL.0>
10.1288

>  <SCORE.INTRA.POLAR>
-0.999935

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.79396

>  <SCORE.INTRA.VDW.0>
0.270851

>  <SCORE.INTRA.norm>
-0.327603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.153647

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  202.9538  208.0529  250.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7047  209.4055  250.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7930  210.0877  249.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1418  209.4273  248.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3685  208.0622  248.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2714  207.3487  249.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4692  205.8721  249.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8974  205.0139  249.8745 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2968  205.2460  251.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2497  204.6950  252.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0026  205.5524  252.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1761  205.8117  251.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1824  204.9830  250.2782 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5759  206.9333  251.1751 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.1074  205.2871  247.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7453  203.9310  247.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4729  203.3571  246.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5246  204.1422  245.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8595  205.4875  245.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1646  206.0616  246.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8869  206.2535  244.1610 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.6050  203.1049  248.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4675  211.7459  249.9958 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.3928  203.6830  249.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  1  14  -1
M  END
>  <CHROM.1>
23.33276590,-153.91912994,107.17572908,-79.01225725,60.37045576,27.63460066
25.22246692,201.69165606,206.64591638,248.98443491,2.08041923,1.51319139
0.06981442

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446099/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.98019

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-4.41981

>  <SCORE.INTRA.DIHEDRAL>
-3.75492

>  <SCORE.INTRA.DIHEDRAL.0>
12.1342

>  <SCORE.INTRA.POLAR>
-0.693301

>  <SCORE.INTRA.POLAR.0>
-0.834749

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.185129

>  <SCORE.INTRA.VDW.0>
-2.56617

>  <SCORE.INTRA.norm>
-0.192166

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.303486

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000080

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  189.3235  204.5182  246.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3095  203.4732  248.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9306  204.0686  249.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0026  203.2657  250.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6232  202.1035  250.3844 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7126  203.9637  251.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1902  203.8759  251.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8621  202.8736  251.7961 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1545  203.1433  251.4592 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2256  204.3264  250.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6273  204.9567  250.1280 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.9386  204.8029  250.6675 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5160  206.0249  250.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9154  202.5152  251.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
179.86960553,2.16274286,-82.29260057,-87.65337083,192.10055291,204.03649748
250.15394723,-2.97829478,0.32726913,2.18510281

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446100/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.54301

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-3.85699

>  <SCORE.INTRA.DIHEDRAL>
-6.88117

>  <SCORE.INTRA.DIHEDRAL.0>
9.44726

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.4164

>  <SCORE.INTRA.VDW.0>
-0.148276

>  <SCORE.INTRA.norm>
-0.296691

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.426386

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002821

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  190.2467  232.4092  257.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1853  232.8498  257.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0505  232.3787  259.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9705  231.4621  259.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0280  230.9939  258.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1675  231.4909  257.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0095  229.9959  259.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3394  228.8086  259.9097 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7940  227.8953  259.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9424  228.0157  257.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0832  226.7864  259.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3304  226.7111  260.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7917  225.3933  261.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1817  224.5005  260.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1394  225.2728  258.8523 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.8013  223.1428  260.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9902  222.6886  261.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5698  223.5516  262.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9678  224.8942  262.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5770  221.2787  261.1343 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.9778  220.5429  260.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8533  220.9095  262.0693 O   0  5  0  0  0  0  0  0  0  0  0  0
  189.0031  228.0238  261.8685 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.8297  231.0289  260.9391 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.1200  228.7476  260.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
55.94315823,72.86887157,33.40494437,189.45213028,227.05390308,260.02102704
-1.07322378,-1.02261729,-2.94971019

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446101/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.54899

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.851011

>  <SCORE.INTRA.DIHEDRAL>
0.299186

>  <SCORE.INTRA.DIHEDRAL.0>
4.59449

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.0006

>  <SCORE.INTRA.VDW.0>
-1.33543

>  <SCORE.INTRA.norm>
-0.0354588

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.314541

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000176

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  193.1643  212.0273  258.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3878  212.6765  257.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1103  212.5600  256.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6337  214.1828  257.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6288  212.0609  256.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4691  210.6096  256.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5764  210.3103  254.8767 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1872  209.6251  257.0184 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8620  209.0101  256.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3302  208.4936  258.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3440  207.7967  259.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7138  208.4910  259.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1900  208.8445  257.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4070  206.2453  259.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1384  205.4580  259.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9464  205.0710  260.6344 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2471  205.1835  258.4331 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5510  205.2819  256.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7136  206.2800  256.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1943  206.1067  256.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5556  206.1479  257.6536 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8118  204.8071  258.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7080  203.9751  258.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8770  202.7412  259.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1487  202.3201  259.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2480  203.1390  259.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0987  204.3861  258.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7934  207.3950  258.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6005  208.6818  257.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9375  209.8309  258.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4693  209.7208  259.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6646  208.4612  260.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3451  207.3114  259.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  1  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
69.27963785,120.36262419,112.17344314,-57.84583117,-94.22028215,48.57911440
191.47630086,207.80768308,258.14559988,1.02260731,0.14988711,-0.15703871

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446102/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1799

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-5.2201

>  <SCORE.INTRA.DIHEDRAL>
-0.124801

>  <SCORE.INTRA.DIHEDRAL.0>
4.7744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.1577

>  <SCORE.INTRA.VDW.0>
-1.09563

>  <SCORE.INTRA.norm>
-0.158185

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.18727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008197

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  216.1337  196.1034  245.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4246  195.2424  246.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9389  195.6041  246.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6203  193.7609  246.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1482  193.1597  244.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3272  191.7923  244.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9829  190.9864  245.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4570  191.5870  246.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2787  192.9562  247.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1560  189.5023  245.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6327  189.1081  245.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4220  188.6495  246.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-62.20760253,117.90869121,215.79284739,192.37075866,245.83065536,-1.78496040
-0.45832685,3.09009672

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446103/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39846

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.00153501

>  <SCORE.INTRA.DIHEDRAL>
-5.86292e-05

>  <SCORE.INTRA.DIHEDRAL.0>
1.43874

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00150569

>  <SCORE.INTRA.VDW.0>
0.664963

>  <SCORE.INTRA.norm>
-0.000127917

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.616539

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019421

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  202.5532  200.4169  251.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3659  200.8580  250.5685 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.3017  200.5254  249.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1974  200.9752  248.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1155  201.7796  247.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1358  202.0724  248.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2859  201.5959  250.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0402  202.2214  246.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9179  201.9330  245.7702 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9755  202.9804  246.2571 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8778  203.3148  245.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-2.71094667,178.94458395,202.17709744,201.56059701,248.56973392,1.45697543
-0.53189118,1.85132045

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446104/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.56502

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-1.83498

>  <SCORE.INTRA.DIHEDRAL>
-3.87616

>  <SCORE.INTRA.DIHEDRAL.0>
3.8979

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.103095

>  <SCORE.INTRA.VDW.0>
0.0280507

>  <SCORE.INTRA.norm>
-0.183498

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.456502

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007276

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  207.7558  197.1631  244.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5960  195.9416  244.5369 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.6697  194.8400  245.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1991  195.1885  246.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2853  195.0425  247.5935 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6803  195.4818  246.9242 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6283  196.3518  245.6166 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.0064  196.3666  244.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8588  195.7692  243.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3932  195.3689  243.3556 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.9521  195.8066  242.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6992  196.1366  247.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5300  195.6121  249.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2332  196.2430  249.7386 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8783  195.7101  249.0078 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.3003  195.0514  250.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6292  196.2125  251.3683 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.1122  196.0637  251.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9186  196.2583  252.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8573  196.0967  253.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4010  197.6003  250.9693 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5260  196.5101  248.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0428  195.4926  241.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7519  198.2565  251.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  1  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 17 21  1  0  0  0  0
 19 20  3  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
-63.51592228,-38.92565881,-170.28440939,208.55045178,195.96954376,247.58521681
1.32923406,-0.00507987,-1.61987636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446105/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.9636

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-8.3636

>  <SCORE.INTRA.DIHEDRAL>
-1.04187

>  <SCORE.INTRA.DIHEDRAL.0>
1.32105

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.84266

>  <SCORE.INTRA.VDW.0>
7.4614

>  <SCORE.INTRA.norm>
-0.380164

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
-0.0892544

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001297

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  203.9768  205.1051  243.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2191  204.3706  243.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9887  202.9674  243.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0068  202.1440  243.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1024  202.5337  242.8065 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6340  200.7690  243.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3729  200.2535  243.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5604  198.9005  244.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8879  198.5881  244.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5287  199.7071  243.5267 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9505  199.7410  243.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5263  197.2697  244.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4411  196.1906  244.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2649  196.6564  245.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6279  197.9245  244.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4229  198.1383  244.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0545  200.9551  243.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-179.99990391,4.06484158,12.80328898,205.14790498,200.19959518,243.91313307
1.50109618,0.26034475,-0.16825227

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446114/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.22963

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-3.17037

>  <SCORE.INTRA.DIHEDRAL>
-7.57622

>  <SCORE.INTRA.DIHEDRAL.0>
8.12332

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.617738

>  <SCORE.INTRA.VDW.0>
0.429645

>  <SCORE.INTRA.norm>
-0.186492

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.307625

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009105

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  196.3545  202.0136  247.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1592  200.6760  248.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3077  199.9250  249.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7068  200.4221  250.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0163  198.4539  249.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1066  197.6310  250.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8736  196.1638  250.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0113  195.5338  251.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5820  195.4798  249.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3941  194.1177  249.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5878  198.2362  252.0422 S   0  5  0  0  0  0  0  0  0  0  0  0
  195.5106  197.8301  247.6807 S   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  2  11  -1  12  -1
M  END
>  <CHROM.1>
-1.35768270,-178.15577206,178.49435232,178.47893380,196.05031831,198.03866001
249.67192569,1.18810035,-1.29876988,-0.63155369

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446115/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.59053

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-0.809472

>  <SCORE.INTRA.DIHEDRAL>
-1.40124

>  <SCORE.INTRA.DIHEDRAL.0>
1.47829

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.108852

>  <SCORE.INTRA.VDW.0>
2.16271

>  <SCORE.INTRA.norm>
-0.067456

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.715877

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.123409

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  214.7450  187.2398  241.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9623  187.8310  240.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4033  187.7618  240.6307 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.8168  188.8064  241.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0070  188.4263  243.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9942  188.3165  239.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3726  187.4533  238.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9082  186.3323  240.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4110  186.0891  240.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6627  186.1430  242.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2652  186.1141  241.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5941  185.9973  240.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3189  185.8596  239.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7150  185.8780  239.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
75.09233420,-72.25666656,67.98893617,-177.78160302,-93.19754842,211.18390873
187.06495926,240.77969323,0.07415704,0.36105817,1.46469406

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446118/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2051

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-0.194876

>  <SCORE.INTRA.DIHEDRAL>
0.338215

>  <SCORE.INTRA.DIHEDRAL.0>
0.996795

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.363984

>  <SCORE.INTRA.VDW.0>
3.16726

>  <SCORE.INTRA.norm>
-0.0139197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.728937

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.174003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  212.8400  192.3820  248.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7708  193.2858  248.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3032  194.4559  247.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2249  195.3253  246.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5839  195.0041  246.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0369  193.7993  247.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1413  192.9608  248.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7946  193.4337  247.4625 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.9084  191.9937  247.5861 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3669  194.1366  246.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4035  194.1412  248.8940 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5591  195.6143  248.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1409  196.1951  250.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8559  195.4361  251.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1891  195.9883  252.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9761  195.2705  253.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4286  193.9936  253.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1011  193.4370  252.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3226  194.1464  251.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9316  193.4994  250.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9461  194.6876  247.5946 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5356  195.8155  248.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8972  195.7510  249.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1399  195.5043  250.7723 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2325  196.0321  249.9769 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7279  195.9753  251.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
113.17326802,-158.62786117,-74.99754891,-60.51517969,-104.01218397,-178.47829533
215.97118697,194.49296254,249.38386275,-2.79042641,-0.15866509,1.26982347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446120/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.93617

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-2.46383

>  <SCORE.INTRA.DIHEDRAL>
1.35508

>  <SCORE.INTRA.DIHEDRAL.0>
5.2862

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.14138

>  <SCORE.INTRA.VDW.0>
1.51097

>  <SCORE.INTRA.norm>
-0.0947629

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.343699

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000165

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  220.7277  180.8299  238.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0024  181.8087  239.3374 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3843  183.0789  238.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5614  181.3949  240.7040 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.2655  182.2651  241.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7646  181.9212  241.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0119  180.6779  242.5906 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.9024  179.6218  242.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9381  178.3120  242.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0619  177.3187  242.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1111  177.6117  241.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0062  178.9088  240.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8735  179.9419  241.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4520  180.0697  242.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0218  179.8544  241.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2126  179.1322  240.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9203  178.6743  242.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4333  178.9456  243.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2130  179.6082  243.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7389  181.0407  244.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8806  180.3930  244.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4264  182.0520  244.8376 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.5972  182.8439  244.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0985  182.2024  246.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
162.75348096,-46.70138818,121.63098963,222.70687090,180.42380779,242.14822059
-2.68410025,-0.57691467,0.81061150

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446121/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-1.55

>  <SCORE.INTRA.DIHEDRAL>
0.356452

>  <SCORE.INTRA.DIHEDRAL.0>
1.31907

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.72822

>  <SCORE.INTRA.VDW.0>
0.130805

>  <SCORE.INTRA.norm>
-0.0645833

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.285417

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028537

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 22  0  0  0  0  0  0  0  0999 V2000
  205.2870  203.7937  249.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6030  202.9862  250.5689 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3391  203.5785  251.0414 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.0536  203.3905  252.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5514  202.3555  253.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2641  202.0599  252.4538 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1315  203.4438  251.9487 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2257  201.4680  251.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6493  202.4418  250.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2346  202.5466  248.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5037  203.5294  248.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3858  201.4541  248.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9418  201.5103  247.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0983  200.5186  246.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7056  199.4635  247.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1483  199.3998  248.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9867  200.3982  249.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3904  200.3672  250.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0113  199.4926  251.4157 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-123.42538356,202.18019671,201.84348469,249.97552471,-0.53876809,-0.82600554
-1.34723785

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446122/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39907

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-0.000930328

>  <SCORE.INTRA.DIHEDRAL>
-0.0238364

>  <SCORE.INTRA.DIHEDRAL.0>
4.70366

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0109879

>  <SCORE.INTRA.VDW.0>
0.518269

>  <SCORE.INTRA.norm>
-4.89646e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.336793

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047331

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  202.8364  198.1160  239.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7780  196.7775  240.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2866  196.9517  241.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2251  195.6182  242.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7612  195.8196  243.6329 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3213  197.9299  237.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3791  199.2601  237.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8559  199.0746  235.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8935  200.3313  235.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7325  194.9501  244.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2039  200.1746  234.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-179.64467120,179.83591293,179.85630794,-179.85593196,179.84629232,-179.74165094
179.85037003,179.81938010,202.92402218,197.77051658,239.23959639,0.86191755
1.23253181,-0.40323215

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446123/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8259

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
-0.574087

>  <SCORE.INTRA.DIHEDRAL>
0.000106941

>  <SCORE.INTRA.DIHEDRAL.0>
0.00134296

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.574141

>  <SCORE.INTRA.VDW.0>
-0.336416

>  <SCORE.INTRA.norm>
-0.0637875

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.20288

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008807

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  208.1241  192.0531  247.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3967  190.9533  248.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6936  190.9062  249.9589 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1779  189.7989  250.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1846  189.1749  249.9222 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3176  189.8763  248.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2223  189.5347  247.8385 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5546  190.2774  246.7406 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2278  191.4604  246.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2567  192.3448  245.8251 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0067  193.4128  246.2914 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4543  193.1845  247.5835 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9846  191.9744  247.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3113  191.4155  249.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8776  188.7981  248.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.8705  190.2556  245.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
8.81400710,68.13788431,-162.37825503,210.20654220,191.17119297,248.16270623
2.31547270,-0.00382907,2.28307342

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446125/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.68664

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.713362

>  <SCORE.INTRA.DIHEDRAL>
-0.0667957

>  <SCORE.INTRA.DIHEDRAL.0>
3.56815

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.679964

>  <SCORE.INTRA.VDW.0>
-1.47675

>  <SCORE.INTRA.norm>
-0.0509544

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.549046

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  7  0  0  0  0  0  0  0  0999 V2000
  200.5244  199.1433  248.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6944  198.0450  248.4409 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4295  197.2093  249.5577 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.6735  195.9762  249.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8761  195.6107  250.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5198  196.9718  250.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6018  197.8505  250.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-173.67949099,198.92306447,197.30383340,249.64361215,0.34095614,0.85910441
0.53646367

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446126/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37316

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-0.0268404

>  <SCORE.INTRA.DIHEDRAL>
0.137627

>  <SCORE.INTRA.DIHEDRAL.0>
0.0689537

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0956538

>  <SCORE.INTRA.VDW.0>
0.28129

>  <SCORE.INTRA.norm>
-0.00383434

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.910451

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.109662

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  203.1734  179.0785  248.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1299  179.7012  247.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9232  181.1765  247.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8710  181.8086  246.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6832  183.2801  247.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6444  183.9566  246.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4484  185.4343  246.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4154  186.1277  245.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2516  187.5701  246.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1519  188.4595  245.6910 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9474  189.7486  246.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8860  190.1438  246.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9782  189.2699  247.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1840  187.9787  246.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-179.79806007,179.77281636,179.61572837,-179.93912839,179.69740910,179.64615966
82.39375099,199.67925177,185.14611272,246.84658177,-1.12397740,0.13262645
-0.19893013

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446127/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.7585

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-0.641535

>  <SCORE.INTRA.DIHEDRAL>
-0.106384

>  <SCORE.INTRA.DIHEDRAL.0>
0.795512

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.588344

>  <SCORE.INTRA.VDW.0>
-0.545174

>  <SCORE.INTRA.norm>
-0.045824

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.83989

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002988

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  213.9312  177.2490  253.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3635  176.7859  252.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4490  176.2499  251.3353 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0973  175.7833  250.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9685  175.8214  249.6336 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3187  175.2651  249.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0801  176.3476  248.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7706  176.6619  247.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4871  177.6412  246.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5282  178.3171  247.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8472  178.0173  248.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1263  177.0405  249.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
179.84921896,1.44610703,-85.16027147,-90.19160422,215.32467911,176.74398701
249.57060634,-2.35941221,-0.57624035,-1.83909138

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446128/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38952

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-3.01048

>  <SCORE.INTRA.DIHEDRAL>
-5.37432

>  <SCORE.INTRA.DIHEDRAL.0>
7.36441

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.323321

>  <SCORE.INTRA.VDW.0>
0.0973111

>  <SCORE.INTRA.norm>
-0.250873

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.53246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.186605

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  216.7264  178.4447  246.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7571  179.2065  245.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9704  178.4812  244.2007 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5480  178.2950  244.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4206  177.5655  245.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3082  178.1055  247.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7230  179.1818  247.8472 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4286  178.9491  249.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3536  177.6770  249.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9959  177.5200  251.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7034  178.6300  251.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7673  179.8968  251.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1264  180.0548  250.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1358  181.4254  249.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7460  181.5009  248.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5567  180.4661  247.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3836  180.7189  246.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3492  178.6521  242.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1808  179.8514  242.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3271  179.9278  240.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6672  178.7798  240.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9398  177.6010  240.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8046  177.5506  242.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6687  178.7265  238.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9316  177.6778  237.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3629  179.8841  237.8830 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3534  179.9185  236.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7817  179.9490  235.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3330  180.9713  235.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4400  178.7549  235.9409 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7598  181.0770  242.7961 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.6564  181.1012  243.3564 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5329  182.0444  242.6992 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.2845  180.7790  238.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.0193  177.8961  236.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.3945  178.7345  235.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
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 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  CHG  2  31   1  33  -1
M  END
>  <CHROM.1>
-69.71661005,-114.90595218,-177.49119315,-75.93600468,-101.88306752,215.71406017
179.39886601,243.86740833,-2.69778255,1.30306433,-0.44607460

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446129/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.82695

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-4.57305

>  <SCORE.INTRA.DIHEDRAL>
-2.2904

>  <SCORE.INTRA.DIHEDRAL.0>
7.50715

>  <SCORE.INTRA.POLAR>
-0.343343

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.26048

>  <SCORE.INTRA.VDW.0>
-0.903813

>  <SCORE.INTRA.norm>
-0.138577

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.176574

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000462

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  192.3611  209.8058  255.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0183  211.0519  256.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1279  210.9720  257.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8882  212.0982  258.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4879  213.3226  258.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3627  213.4085  257.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6317  212.2784  256.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8296  211.9194  260.0274 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.4996  213.2374  260.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7594  211.0257  259.6253 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7573  211.0908  261.1285 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0981  211.5976  261.6524 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2237  211.3528  260.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6472  209.8869  260.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7417  208.9193  259.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3012  208.3389  258.7667 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5396  208.8391  260.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7850  213.1070  262.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2733  213.3545  263.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2449  213.9357  261.1479 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8248  210.0847  260.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  6  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
-168.32512851,58.64190518,-79.08029191,-72.06206149,84.34185692,74.77923211
122.52733688,191.53494386,211.48341520,259.60661200,0.86895100,1.08790766
-1.52272519

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446146/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.0649

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-5.3351

>  <SCORE.INTRA.DIHEDRAL>
0.0588066

>  <SCORE.INTRA.DIHEDRAL.0>
7.47218

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.04956

>  <SCORE.INTRA.VDW.0>
-3.01663

>  <SCORE.INTRA.norm>
-0.266755

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.353245

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000267

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  200.0684  205.6441  257.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2219  207.1254  257.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4765  207.6599  257.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6600  209.0405  256.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5792  209.9131  257.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3046  209.3652  257.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1337  207.9869  257.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7547  211.4137  257.1735 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9310  212.2037  256.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2659  211.8711  255.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3201  212.7349  254.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6543  213.8295  254.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6815  214.5355  254.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3275  214.1481  252.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9505  213.0429  252.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9416  212.3535  252.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3240  214.8763  252.2550 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5276  215.2408  250.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3273  210.6181  254.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9094  213.5646  256.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9450  214.6369  256.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0361  213.3664  258.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7644  214.2062  259.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4643  212.0673  258.4546 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8004  211.5443  259.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6391  210.8200  260.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4499  211.6383  260.7717 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5584  211.8401  259.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8251  210.5677  259.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0881  209.8764  260.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9272  209.6880  261.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6446  210.9843  261.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9578  210.0316  254.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7733  208.9688  259.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  1  0  0  0
  8 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
123.98664569,-21.96776948,-5.33235659,136.63680706,-97.59177690,-62.40090174
79.96611734,198.72709225,211.53300083,256.90461848,-0.88917151,1.10102893
-1.57675933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446147/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.15792

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-3.24208

>  <SCORE.INTRA.DIHEDRAL>
-0.791485

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.0952234

>  <SCORE.INTRA.norm>
-0.101315

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.254935

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000129

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  193.7658  204.6903  259.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7883  205.5730  258.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1401  206.4464  257.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3291  205.6039  256.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2914  204.7476  257.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9496  203.8636  258.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6768  206.4374  255.6743 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1750  206.5963  254.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2187  206.0746  254.0127 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3286  207.4882  253.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5950  208.8898  253.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1758  209.4239  254.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6550  208.7953  255.7078 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3583  210.9001  254.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9236  211.5669  255.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0018  212.9573  256.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5393  213.6904  255.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9758  213.0403  253.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8903  211.6426  253.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5738  215.4721  255.1340 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.4738  215.8184  256.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6797  215.9404  254.3244 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1265  215.9548  254.4305 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9807  215.1288  254.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2390  215.1156  255.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1441  214.2590  255.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7795  213.4377  254.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5123  213.4675  253.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6226  214.3057  253.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9186  207.0529  255.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0087  216.9614  254.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
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 23 31  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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M  END
>  <CHROM.1>
100.81390539,84.05586741,-69.91413612,2.79336744,178.34749764,20.98222220
31.58375733,78.68081294,192.07288740,210.76700974,255.44940859,-1.30843364
-0.38456707,-0.11453283

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2547

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-2.21388

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.18945

>  <SCORE.INTRA.VDW.0>
-3.1899

>  <SCORE.INTRA.norm>
-0.108457

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.353612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001374

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  218.0450  181.1553  246.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7233  181.2635  247.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7852  182.1778  248.3545 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.8866  183.6576  247.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6006  181.9282  249.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2184  182.0992  248.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0281  182.1335  249.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6926  180.5418  250.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9000  180.3532  250.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
71.86754299,-56.63402672,-169.00172009,64.52607244,215.99057619,181.69947948
248.71554922,-0.61929592,-0.41080735,2.14350521

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446149/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.83633

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-0.563671

>  <SCORE.INTRA.DIHEDRAL>
0.87112

>  <SCORE.INTRA.DIHEDRAL.0>
0.955138

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.999231

>  <SCORE.INTRA.VDW.0>
3.09299

>  <SCORE.INTRA.norm>
-0.0626302

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.981814

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008413

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  197.1637  214.1228  262.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5128  213.8258  261.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5062  213.6486  259.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0784  214.9488  259.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8562  215.7367  260.1555 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.2190  215.4223  261.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9853  215.4120  262.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2286  216.8780  259.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5809  216.7947  258.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8371  215.6088  258.2317 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8951  215.1566  257.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5006  214.8295  257.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8625  213.8695  257.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9199  215.6550  258.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7280  215.2099  259.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1552  215.9007  260.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7723  217.0451  260.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9449  217.5155  260.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5206  216.8267  259.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0973  217.8742  262.3114 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.7086  217.7979  257.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5109  218.8969  257.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1529  218.9751  258.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0310  217.9708  259.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6400  218.0712  260.9783 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.8956  220.0559  259.1136 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 24  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
51.86827594,-141.16017418,-170.78007733,197.05812425,216.43332136,259.79733213
3.04902631,-0.38250724,-2.38580853

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446150/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20475

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-2.19525

>  <SCORE.INTRA.DIHEDRAL>
0.19539

>  <SCORE.INTRA.DIHEDRAL.0>
3.76342

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.29294

>  <SCORE.INTRA.VDW.0>
-0.695463

>  <SCORE.INTRA.norm>
-0.0844327

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.238644

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000758

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  194.5497  215.3146  253.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1183  216.1631  255.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6274  215.8078  256.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9911  215.9085  256.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4763  215.4586  257.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6111  214.8778  258.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2521  214.8078  258.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7273  215.3434  257.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2280  215.4095  257.0115 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.6192  216.8394  257.1004 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.4597  216.6899  256.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5270  217.4713  256.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5945  215.4098  255.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7761  215.0593  254.5238 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7419  214.7621  255.7712 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9571  213.3148  255.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9056  212.3759  256.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8033  212.3929  257.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4098  213.6648  258.2824 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6229  213.6835  259.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4709  213.1480  260.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2283  213.7673  260.2903 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9285  213.5171  258.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0216  214.0877  257.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5146  217.9745  256.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3097  218.5029  255.5369 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6717  218.4849  257.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7920  217.9949  258.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7728  218.4800  259.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6530  219.4524  259.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5971  219.9130  257.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6171  219.4227  257.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5626  219.9608  260.0532 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
66.87859968,-72.28249469,104.15824738,83.97602911,-60.20840097,62.31147939
-167.38734290,-8.41706769,192.50171223,215.91580369,257.36900530,-0.09782676
-0.67536639,-1.69954594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446151/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.76823

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-5.63177

>  <SCORE.INTRA.DIHEDRAL>
0.851153

>  <SCORE.INTRA.DIHEDRAL.0>
5.80149

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.05734

>  <SCORE.INTRA.VDW.0>
-1.73845

>  <SCORE.INTRA.norm>
-0.17066

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.235401

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001693

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  223.3332  182.1183  245.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3485  182.1108  244.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4897  183.0722  243.7530 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6239  183.1359  242.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7390  184.2065  241.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8401  184.3536  240.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8209  183.4165  240.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7229  182.3233  241.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6302  182.1884  242.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5394  181.0617  243.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7070  180.1808  243.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4018  181.1064  244.4911 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2377  180.0903  245.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0341  180.4327  246.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8595  179.4284  247.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8871  178.0823  247.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0828  177.7406  246.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2482  178.7408  245.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1456  175.9309  245.4984 Br  0  0  0  0  0  0  0  0  0  0  0  0
  220.7248  177.0914  248.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5875  179.9309  249.5842 Br  0  0  0  0  0  0  0  0  0  0  0  0
  221.0104  177.4377  249.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
53.61810451,-25.92641317,221.02175503,179.84150445,245.58762620,-1.05534776
1.52910665,1.78682339

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446152/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09665

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.304762

>  <SCORE.INTRA>
-0.303352

>  <SCORE.INTRA.DIHEDRAL>
-0.443337

>  <SCORE.INTRA.DIHEDRAL.0>
9.60008

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0816837

>  <SCORE.INTRA.VDW.0>
0.439656

>  <SCORE.INTRA.norm>
-0.0144454

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.290317

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000526

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  215.8615  182.6754  248.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9353  181.5424  248.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6110  181.8551  248.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6628  180.9388  248.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8475  179.9077  249.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3352  181.3809  248.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2722  180.6232  248.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9706  180.9475  248.1612 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6266  182.1831  247.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2825  182.5293  247.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9980  183.7255  246.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0158  184.5684  246.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3586  184.2513  246.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6605  183.0553  247.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0764  182.6914  247.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9897  183.4864  247.2831 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4105  185.2033  245.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1020  181.6958  247.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2592  180.4262  248.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-179.80608261,2.26953326,-175.46049907,210.66281295,182.38059399,247.68466448
-0.29691859,-0.09918057,-0.49687865

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446153/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.47023

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-3.92977

>  <SCORE.INTRA.DIHEDRAL>
-8.58875

>  <SCORE.INTRA.DIHEDRAL.0>
8.67837

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.364604

>  <SCORE.INTRA.VDW.0>
0.476587

>  <SCORE.INTRA.norm>
-0.218321

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.248346

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  219.3948  191.6908  244.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6313  191.3315  243.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7638  191.1149  242.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6591  191.2545  241.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4147  191.6091  241.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2893  191.8283  243.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2087  191.7595  241.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1231  192.0691  241.5248 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9163  190.9752  239.6699 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
179.90560477,219.02921977,191.44161364,241.68264231,-2.17521692,0.21876174
-1.70433204

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446162/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39996

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-4.16895e-05

>  <SCORE.INTRA.DIHEDRAL>
-0.00010442

>  <SCORE.INTRA.DIHEDRAL.0>
0.000156019

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.05208e-05

>  <SCORE.INTRA.VDW.0>
0.047545

>  <SCORE.INTRA.norm>
-4.63216e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.711106

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  207.2015  196.1042  247.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3287  196.3675  248.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4388  197.8282  249.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1718  198.2847  249.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6692  198.0425  250.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6465  198.9033  247.7225 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.7597  198.3183  247.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
61.03367166,-58.10540213,208.31687189,197.81511738,248.68438265,3.11122375
1.04638679,1.89265725

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446163/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93121

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-0.468791

>  <SCORE.INTRA.DIHEDRAL>
0.0218901

>  <SCORE.INTRA.DIHEDRAL.0>
0.03946

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.479736

>  <SCORE.INTRA.VDW.0>
2.06915

>  <SCORE.INTRA.norm>
-0.0781318

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.1552

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.150309

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 62 64  0  0  0  0  0  0  0  0999 V2000
  227.1191  181.0054  245.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3475  182.2337  245.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3864  183.3092  246.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5333  182.7754  244.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6797  183.8707  244.8288 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4238  184.3140  243.7247 P   0  0  1  0  0  0  0  0  0  0  0  0
  222.5825  183.1697  244.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3191  185.5474  244.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1679  184.7573  242.6205 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8545  185.4660  243.4955 P   0  0  1  0  0  0  0  0  0  0  0  0
  221.5310  186.8375  243.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0012  185.3715  242.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5410  186.1748  244.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5371  186.0896  245.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2024  184.7226  246.4101 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.8295  184.0618  246.1657 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.1460  182.6131  246.5503 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.6331  182.4547  246.1466 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2203  183.7638  246.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4603  181.6250  247.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2442  180.2995  247.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0822  179.8393  248.1869 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9017  180.9092  248.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9462  181.0812  249.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5959  182.2670  249.4416 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1803  183.2458  248.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1616  183.2210  247.7253 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5714  182.0089  247.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3386  180.1031  250.3140 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8699  182.4570  247.9511 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3798  184.2544  244.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9043  183.8790  244.3379 P   0  0  0  0  0  0  0  0  0  0  0  0
  215.6663  184.0098  242.8679 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7242  182.3557  244.7946 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8154  184.6499  245.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.4335  181.8397  246.8519 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.6426  180.5137  246.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9371  179.4559  247.2167 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5611  180.6169  245.8185 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7210  179.4803  245.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0801  179.5790  244.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0073  179.8855  242.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5765  178.9942  242.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0429  181.1952  242.5632 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.6027  181.6562  241.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2327  181.6909  241.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3955  180.5059  240.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9869  179.1367  241.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1745  178.8167  241.7344 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0513  178.1994  241.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1702  181.7776  248.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9596  186.3760  244.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.6710  185.3740  241.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.6405  179.3886  250.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.3012  179.8201  250.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.0041  181.5201  248.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.6865  182.3212  245.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.8419  185.6125  245.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.4762  181.4890  245.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.5516  181.8923  243.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.1308  178.4812  241.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.5208  181.8532  248.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  1  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 52  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  6  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  6  0  0  0
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 17 30  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
 36 37  1  6  0  0  0
 36 51  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 59  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 60  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 61  1  0  0  0  0
 51 62  1  0  0  0  0
M  END
>  <CHROM.1>
175.44782621,-43.96653370,-164.68388846,81.37266578,154.20037824,-159.78740967
87.64815271,-25.11928662,-165.28650935,-73.98537340,-61.83734115,-170.58398310
175.97862267,59.39386862,-19.78540126,-173.34851120,68.10797422,68.53925632
104.11047018,159.88022562,-151.13257131,51.06120554,88.93062258,-75.06313415
78.57267533,-63.15603359,-131.50940087,-8.81239835,222.01721619,182.51134704
245.07922155,0.03502599,-0.41616751,1.87302504

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446164/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-29.3244

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.517647

>  <SCORE.INTRA>
-55.7244

>  <SCORE.INTRA.DIHEDRAL>
-6.42932

>  <SCORE.INTRA.DIHEDRAL.0>
29.0769

>  <SCORE.INTRA.POLAR>
-1.84821

>  <SCORE.INTRA.POLAR.0>
-1.92847

>  <SCORE.INTRA.REPUL>
-0.0839471

>  <SCORE.INTRA.REPUL.0>
0.103305

>  <SCORE.INTRA.VDW>
-45.806

>  <SCORE.INTRA.VDW.0>
30.282

>  <SCORE.INTRA.norm>
-1.09263

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
51

>  <SCORE.norm>
-0.574988

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011596

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  214.0939  184.4296  246.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5737  185.5440  245.2532 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.8377  184.8880  244.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6172  186.4164  246.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7935  186.3406  244.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4362  187.4978  243.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6769  188.2436  243.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3811  189.3873  242.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9207  188.8932  240.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6664  188.1811  241.0265 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3951  188.8277  240.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4064  187.7478  241.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1017  186.4524  240.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5685  186.8017  240.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5107  186.0267  240.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
179.74873554,-177.98706769,178.29094049,-71.74811205,63.72348293,93.05006046
213.73295908,187.01259827,242.85595049,1.54538418,0.62432317,2.11506256

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446165/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.54886

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-2.85114

>  <SCORE.INTRA.DIHEDRAL>
-1.84279

>  <SCORE.INTRA.DIHEDRAL.0>
3.782

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.92975

>  <SCORE.INTRA.VDW.0>
1.56839

>  <SCORE.INTRA.norm>
-0.190076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.569924

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028117

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  212.9148  186.7615  249.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0811  187.3478  248.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4257  186.9901  249.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5955  187.5806  248.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8488  187.1931  249.2431 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5149  188.0997  249.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1768  189.0118  249.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <CHROM.1>
179.90389089,-179.75056295,-121.65370295,216.34223570,187.57901229,249.28697663
2.87854681,-0.10338865,-2.48844728

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446166/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.23082

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-1.16918

>  <SCORE.INTRA.DIHEDRAL>
-2.39524

>  <SCORE.INTRA.DIHEDRAL.0>
2.40001

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0284422

>  <SCORE.INTRA.VDW.0>
-0.387476

>  <SCORE.INTRA.norm>
-0.167025

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.03297

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011741

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  199.9539  221.3771  255.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3905  220.1640  254.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1803  220.4320  253.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4274  220.6099  252.1064 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3915  219.4125  252.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8549  219.1552  253.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4718  218.7026  254.7535 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.1076  220.8711  250.6086 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.6082  222.2810  250.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4524  222.5955  251.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2636  223.5040  251.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1647  221.7651  252.5436 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6567  220.7311  250.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7510  221.6660  250.4321 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4956  221.2218  250.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4715  219.9232  249.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0573  219.2665  249.5603 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.3215  222.0838  250.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4700  223.3863  250.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3674  224.2386  250.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1093  223.7941  250.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9440  222.5041  249.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0462  221.6488  249.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7542  224.8485  250.4871 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.0250  219.8083  255.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  4  3  1  1  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
80.63518938,0.80203356,197.88779256,221.39209086,251.62115948,0.44197356
-0.31071187,1.83459591

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446167/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34041

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.296

>  <SCORE.INTRA>
-1.05959

>  <SCORE.INTRA.DIHEDRAL>
-2.43142

>  <SCORE.INTRA.DIHEDRAL.0>
3.41413

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.156121

>  <SCORE.INTRA.VDW.0>
-1.56756

>  <SCORE.INTRA.norm>
-0.0423835

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.253616

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001871

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  206.8831  200.1967  242.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1374  200.2474  241.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4856  198.8743  240.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0684  201.3662  241.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6504  203.1961  241.1501 Si  0  0  0  0  0  0  0  0  0  0  0  0
  206.8974  203.5771  239.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1852  202.7438  239.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0339  203.1402  238.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0623  202.8976  240.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2017  204.4346  240.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0117  204.5049  241.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1554  203.2459  242.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5678  204.8078  243.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4613  203.3922  242.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0907  204.4546  243.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1224  205.7328  242.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6571  206.8003  243.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1837  206.5735  244.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2065  205.2778  245.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6672  204.2204  244.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7954  207.8530  245.6328 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.5864  208.3695  242.6570 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
62.15295229,60.87571171,-57.33124405,61.77542738,178.53235721,178.09301109
-61.05923396,3.36397741,206.67963452,204.31242177,242.32056706,-1.90378570
0.18358839,0.59288952

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446168/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6773

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.609091

>  <SCORE.INTRA>
-1.72273

>  <SCORE.INTRA.DIHEDRAL>
-1.53068

>  <SCORE.INTRA.DIHEDRAL.0>
1.6053

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.957392

>  <SCORE.INTRA.VDW.0>
-3.7961

>  <SCORE.INTRA.norm>
-0.0783059

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.530785

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002238

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  217.4267  195.2579  252.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9613  194.6497  253.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0440  193.7526  253.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6015  193.1580  254.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0225  193.4944  255.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9241  194.3938  255.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4032  194.9648  254.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4016  193.0244  257.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7827  192.2326  254.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2640  191.5777  255.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3561  192.0792  252.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6420  193.2985  252.0766 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5967  194.0349  252.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2241  193.6447  253.6786 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8450  195.4340  252.1065 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.6630  196.3214  252.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6081  196.4242  251.0484 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.9777  196.1290  249.8838 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.1343  195.7571  250.6885 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.1264  196.7565  250.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2267  196.7323  251.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5231  197.9773  249.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3764  197.4065  249.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5658  195.0538  248.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-173.81757484,49.06295287,63.08184455,5.84815386,73.76798792,221.10153685
194.81249882,252.51824334,2.17945545,-0.19980583,2.30654325

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446169/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.23442

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-3.16558

>  <SCORE.INTRA.DIHEDRAL>
-2.36302

>  <SCORE.INTRA.DIHEDRAL.0>
5.20554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0103454

>  <SCORE.INTRA.REPUL.0>
0.0103454

>  <SCORE.INTRA.VDW>
-1.93234

>  <SCORE.INTRA.VDW.0>
1.08462

>  <SCORE.INTRA.norm>
-0.131899

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.301434

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001654

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  189.4538  212.2576  258.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7325  211.2549  259.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7507  211.8871  260.7257 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.5329  212.7294  261.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6980  212.8012  260.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8174  212.0826  259.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0659  210.6969  261.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0546  211.1302  262.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2808  211.5415  263.2424 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-65.75953846,60.24724799,-177.96299990,187.30050207,211.84386237,260.76825926
-0.85926139,0.03250794,1.74909248

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446170/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.21021

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-0.189786

>  <SCORE.INTRA.DIHEDRAL>
-0.0108544

>  <SCORE.INTRA.DIHEDRAL.0>
0.113383

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.184359

>  <SCORE.INTRA.VDW.0>
4.16603

>  <SCORE.INTRA.norm>
-0.0210873

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.912246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.298885

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  184.7578  225.5590  261.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8247  224.0501  261.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3280  223.6464  263.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4205  222.1345  263.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5527  221.3162  262.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1519  221.1021  262.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5385  220.1920  261.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2148  219.6578  260.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5559  219.9645  260.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2331  220.7483  261.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2728  219.4492  259.1718 N   0  3  0  0  0  0  0  0  0  0  0  0
  183.6250  218.7572  258.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4702  219.7238  259.0511 O   0  5  0  0  0  0  0  0  0  0  0  0
  180.1960  219.6916  261.8061 N   0  3  0  0  0  0  0  0  0  0  0  0
  179.9517  219.1417  262.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.3826  219.8819  260.8921 O   0  5  0  0  0  0  0  0  0  0  0  0
  181.5075  221.8048  263.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.4335  222.6884  263.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9416  223.7250  262.2645 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.9287  223.5665  260.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5877  222.5858  260.2641 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.5694  224.7844  260.3532 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.9557  225.3697  259.1061 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.9955  226.3310  258.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7843  227.5585  259.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8757  227.0407  260.5438 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.2925  225.8494  261.4074 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.3461  224.9898  262.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6068  225.3564  263.7935 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.9667  226.2983  259.6405 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 20  1  1  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 30  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  2  0  0  0  0
M  CHG  4  11   1  13  -1  14   1  16  -1
M  END
>  <CHROM.1>
-178.53868894,-62.62608289,-79.67902874,120.66667490,-62.75681082,92.22850079
182.12793988,222.74190439,261.18412851,-1.77910317,-0.51902491,3.02700171

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446171/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.41025

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-6.98975

>  <SCORE.INTRA.DIHEDRAL>
-5.23861

>  <SCORE.INTRA.DIHEDRAL.0>
11.532

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.37045

>  <SCORE.INTRA.VDW.0>
-1.80434

>  <SCORE.INTRA.norm>
-0.232992

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.147008

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000027

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  190.3810  202.4977  252.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0633  203.1681  253.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3439  203.7555  254.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9969  204.2718  253.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5147  204.7376  254.9348 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5302  202.1683  254.8280 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2750  203.9195  255.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.1938  201.3962  254.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.6786  201.7552  254.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <CHROM.1>
169.52644975,55.22030926,-50.52538049,189.76893002,203.42487060,254.09725778
0.81256310,-0.38636407,-2.89186446

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446172/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.5083

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-0.891705

>  <SCORE.INTRA.DIHEDRAL>
-1.85708

>  <SCORE.INTRA.DIHEDRAL.0>
2.64799

>  <SCORE.INTRA.POLAR>
0.11448

>  <SCORE.INTRA.POLAR.0>
-0.344332

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.352396

>  <SCORE.INTRA.VDW.0>
0.973394

>  <SCORE.INTRA.norm>
-0.148617

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.08472

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019697

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  189.8564  215.3082  262.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4620  216.5678  262.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5645  216.5092  261.8742 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6810  217.8451  262.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0996  218.2780  263.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3746  217.8767  265.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5737  217.2053  265.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8964  216.8148  266.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0531  217.1336  267.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8879  217.8479  267.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5627  218.2131  266.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3566  219.0051  265.9931 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.4994  220.1682  265.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2906  218.4888  266.3475 O   0  5  0  0  0  0  0  0  0  0  0  0
  189.3886  218.4491  260.7989 P   0  0  0  0  0  0  0  0  0  0  0  0
  188.2848  217.4019  260.5598 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6327  219.8410  261.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3626  221.0423  261.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0425  221.6254  260.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3528  221.7918  260.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1121  219.0202  259.1895 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1091  218.5268  258.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8791  219.0649  256.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7341  219.8644  256.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
>  <CHROM.1>
47.48263063,76.24508863,16.90593280,91.07063562,176.01716280,60.94311927
-116.82453166,-178.17034612,116.99794557,189.41769901,218.51081062,262.57531561
-1.88267122,1.04955067,-1.09533585

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446173/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.11335

>  <SCORE.INTRA.VDW.0>
0.106485

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004145

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  208.3975  183.0706  246.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3448  183.8722  247.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7763  183.3333  247.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6689  184.1773  248.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1280  183.7171  248.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2795  182.3325  249.0700 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.1282  181.2289  248.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0711  180.4009  247.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7760  179.3776  246.9197 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3459  178.0139  247.5037 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.7471  177.2479  246.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1498  178.3527  245.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3215  178.1451  244.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6669  179.7266  245.8970 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.2391  180.5103  244.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0080  181.7339  245.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2712  181.9978  244.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9781  183.2674  245.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2683  182.9495  245.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9802  184.2175  246.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2157  183.8950  247.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3619  184.1603  246.8271 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9218  183.2611  248.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3861  178.1228  248.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5694  182.2202  249.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7035  183.0462  248.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1797  177.2408  248.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2300  182.3747  248.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.55873263,-179.86702554,-66.90696837,88.89582963,-109.12687082,-57.29483413
134.26816635,-177.70885892,-53.84479715,125.15329368,123.38011172,-177.31692242
176.78962332,115.46696196,-179.73269684,212.63686341,181.58810336,246.95740941
2.47940375,-0.00179587,-2.92229763

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446174/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1198

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.696

>  <SCORE.INTRA>
-7.2802

>  <SCORE.INTRA.DIHEDRAL>
0.937981

>  <SCORE.INTRA.DIHEDRAL.0>
3.7727

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.34919

>  <SCORE.INTRA.VDW.0>
-0.859826

>  <SCORE.INTRA.norm>
-0.291208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.404792

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003529

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  211.6709  191.0129  242.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9348  191.9480  241.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9217  193.3745  241.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2222  194.3352  240.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1522  195.7402  241.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4392  196.7476  240.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4413  198.1687  241.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2111  198.7263  242.1816 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.4679  199.0158  240.8781 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4497  198.7653  239.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7233  198.0841  240.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6791  198.8678  241.4764 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.9782  196.8458  239.7837 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1569  196.0068  239.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7914  194.5715  240.3742 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.5224  193.5810  239.2277 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6578  193.4018  238.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7362  192.7273  239.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0124  192.5170  240.3937 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.9171  193.8466  241.1609 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.5289  193.6327  242.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1900  194.9290  243.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9435  195.2753  243.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5938  196.5525  244.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7760  196.3165  245.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2653  197.6125  246.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3489  198.3600  245.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6353  199.3188  244.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0859  197.8291  245.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6461  192.3287  239.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3362  199.9757  241.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2208  196.4198  239.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4754  198.2493  244.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 15 14  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <CHROM.1>
178.22752156,176.84173521,-178.92810930,-176.34766728,-90.34530801,-93.48245008
-61.93426752,129.09425590,86.23542461,-56.91871241,108.64916601,-127.12248127
-172.58508650,61.28586099,-100.20152645,-176.06889984,212.03852196,195.93251271
241.82954805,0.29890986,-0.97137428,2.46687722

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446175/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8582

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.68

>  <SCORE.INTRA>
-9.54176

>  <SCORE.INTRA.DIHEDRAL>
0.95212

>  <SCORE.INTRA.DIHEDRAL.0>
9.65013

>  <SCORE.INTRA.POLAR>
-0.747474

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.47641

>  <SCORE.INTRA.VDW.0>
-2.88422

>  <SCORE.INTRA.norm>
-0.318059

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.361941

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006170

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  207.0777  201.0386  236.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5934  201.9297  234.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0316  202.9916  235.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8447  201.4635  233.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4657  200.3056  233.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5302  200.2200  231.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9556  201.3125  231.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3355  202.4251  232.2040 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
0.29462388,206.76229016,201.63200151,233.33544278,-1.77663002,1.07786329
-1.56460294

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446176/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38835

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.0116527

>  <SCORE.INTRA.DIHEDRAL>
-0.0320561

>  <SCORE.INTRA.DIHEDRAL.0>
0.0324751

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00437533

>  <SCORE.INTRA.VDW.0>
0.275597

>  <SCORE.INTRA.norm>
-0.00145659

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.798543

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009690

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  204.7944  193.3314  262.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8975  192.1019  261.9415 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7604  191.2301  262.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9295  192.3900  260.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2416  192.9761  260.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2998  194.3093  259.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5062  194.8728  259.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6506  194.0747  259.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6041  192.7496  259.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4063  192.2038  259.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8464  194.6464  258.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8721  195.3045  257.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9176  195.3602  256.5191 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0979  195.8994  257.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2098  195.9296  257.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2517  196.6695  255.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5341  196.2165  258.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4871  197.0585  259.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2116  196.7328  260.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5039  198.3377  258.7465 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8292  198.6878  257.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3546  199.3535  259.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
73.57741641,-110.57080179,127.10577154,-54.61181325,-4.86738260,-6.51892568
208.08153542,195.07881847,259.14608425,2.50869364,-0.65381713,-3.13747674

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446177/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.56097

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-2.83903

>  <SCORE.INTRA.DIHEDRAL>
-0.126304

>  <SCORE.INTRA.DIHEDRAL.0>
7.84508

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.77588

>  <SCORE.INTRA.VDW.0>
-0.858968

>  <SCORE.INTRA.norm>
-0.129047

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.389135

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000500

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  210.6423  174.0534  264.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5449  173.3645  266.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4199  171.9673  266.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4109  171.1788  264.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4774  171.9417  263.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5953  173.3439  263.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3352  171.2239  261.9144 Br  0  0  0  0  0  0  0  0  0  0  0  0
  210.3320  169.7510  265.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1963  169.2076  266.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1688  170.0138  267.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2982  171.3843  267.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0903  167.8608  266.6397 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4787  168.4407  263.7265 Br  0  0  0  0  0  0  0  0  0  0  0  0
  209.5477  167.4850  265.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-37.81993476,210.38869744,170.47471988,264.17712391,-0.21318433,1.53701179
0.97222045

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446187/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.24397

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.415385

>  <SCORE.INTRA>
-1.15603

>  <SCORE.INTRA.DIHEDRAL>
1.79153

>  <SCORE.INTRA.DIHEDRAL.0>
0.000197282

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.05179

>  <SCORE.INTRA.VDW.0>
2.29053

>  <SCORE.INTRA.norm>
-0.0889254

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.326459

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000654

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  207.6421  186.3050  236.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6141  185.4206  237.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7733  185.6548  238.7867 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7439  187.0444  239.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5742  187.9158  239.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6463  187.1956  240.1955 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4534  188.4922  240.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0101  189.4846  239.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3778  188.3418  241.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7030  184.6747  239.7446 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
64.79486982,-112.45000253,-176.74686245,72.47336960,207.96426339,187.00662138
239.42034248,0.48962547,1.23913141,-1.38104490

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446188/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.553

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-0.847004

>  <SCORE.INTRA.DIHEDRAL>
-1.91761

>  <SCORE.INTRA.DIHEDRAL.0>
3.63612

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.111803

>  <SCORE.INTRA.VDW.0>
-0.0787522

>  <SCORE.INTRA.norm>
-0.0847004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.8553

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.159249

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  184.7061  220.3761  253.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3000  221.2151  254.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1880  221.9286  255.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0107  220.3570  255.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1928  219.8466  254.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7356  220.0878  253.9059 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8075  218.9462  256.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1598  217.2171  255.8906 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.8132  217.2051  257.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6382  216.3285  258.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5019  216.4504  258.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6020  217.5144  258.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8509  218.4053  257.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9308  218.1983  256.8821 N   0  3  0  0  0  0  0  0  0  0  0  0
  185.1118  218.8389  256.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.1172  219.5538  257.4099 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.3957  217.7441  259.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3986  218.0139  259.9787 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2778  215.4798  260.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7825  214.1970  260.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3413  213.5683  261.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4764  214.3659  262.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3367  215.9116  261.4755 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.6637  215.3610  258.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5039  214.5713  258.5025 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.5960  219.6299  256.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.3865  220.4614  257.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  3  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  3  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
72.58480518,2.94174821,86.12660707,-94.47564106,-123.81544834,-21.28228720
-117.92911945,185.03295705,217.62187624,257.73764924,1.25017099,0.52874330
-0.72637984

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446189/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27657

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-6.12343

>  <SCORE.INTRA.DIHEDRAL>
-2.45859

>  <SCORE.INTRA.DIHEDRAL.0>
10.657

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.205864

>  <SCORE.INTRA.VDW.0>
-2.55677

>  <SCORE.INTRA.norm>
-0.255143

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.261524

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  210.2524  180.0271  251.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0425  179.5407  249.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3425  180.0356  249.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0664  179.5623  248.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5285  178.6096  247.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2391  178.1316  247.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5095  178.5833  249.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6161  180.3367  248.5116 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.1657  181.2390  249.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9904  180.9871  250.3849 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0833  182.1468  250.3349 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7681  182.9840  251.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7039  183.0657  251.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8780  183.9433  251.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6395  184.6966  252.8443 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5549  185.6580  253.2210 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7823  185.8213  252.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1249  185.0712  251.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1772  184.0473  251.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4359  183.2584  250.1668 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8402  186.7775  253.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0253  186.5143  254.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4510  187.8435  254.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9098  188.6538  255.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9007  188.1609  256.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4319  186.8663  256.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9899  186.0534  255.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2252  189.1705  257.4735 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.9348  182.2763  249.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
175.73680926,-176.40637618,-152.68608402,214.65818750,183.65385895,251.98102529
1.88439222,-0.36235330,-2.35457156

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446190/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.81439

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-1.58561

>  <SCORE.INTRA.DIHEDRAL>
-5.05102

>  <SCORE.INTRA.DIHEDRAL.0>
7.38773

>  <SCORE.INTRA.POLAR>
-0.0772552

>  <SCORE.INTRA.POLAR.0>
-0.0828017

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.20257

>  <SCORE.INTRA.VDW.0>
-0.783274

>  <SCORE.INTRA.norm>
-0.0566289

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.243371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000078

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 62 69  0  0  0  0  0  0  0  0999 V2000
  215.2623  183.4059  249.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9413  183.2485  247.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2629  184.6072  247.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8103  185.4505  248.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9670  184.7538  249.4986 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.4398  184.6160  249.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0748  185.8943  249.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4460  185.7243  250.0266 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1636  186.0504  248.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6332  186.5253  247.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2973  186.6166  247.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0807  187.2692  245.8141 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.7868  187.3126  245.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4594  186.9154  246.6260 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4051  187.6548  244.4110 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7648  188.0112  243.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6516  186.9212  242.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3239  187.2598  242.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3945  186.2947  242.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7554  184.9549  242.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0521  184.5810  242.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9931  185.5507  242.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1736  189.4655  243.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1065  190.1341  244.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4864  191.3823  244.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8985  191.9933  243.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9647  191.3747  242.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6042  190.1360  242.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8351  188.0849  241.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0083  188.8518  242.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8965  189.0835  241.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6526  188.5338  239.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5504  187.7093  239.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6713  187.4621  240.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6728  185.9169  249.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0726  185.3192  250.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5866  186.4204  248.3484 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0043  185.5123  247.2814 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.4793  185.0569  247.1046 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.1528  185.0300  245.6304 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2975  186.0968  245.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8527  186.9286  245.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4873  183.8991  245.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1564  182.8008  245.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6869  182.5009  247.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0650  183.4919  247.7301 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.9554  181.8890  245.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6501  182.4045  246.0111 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.8867  183.1717  245.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7200  183.7551  245.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3197  183.5135  246.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0586  182.6479  247.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2141  182.0821  247.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9077  184.0566  243.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2339  183.1735  243.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1556  185.1925  243.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9648  184.9265  246.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4204  187.6351  244.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.5043  187.4089  248.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.7212  185.8735  243.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.4695  185.7997  245.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7587  184.8031  245.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 57  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 29  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 59  1  0  0  0  0
 38 37  1  1  0  0  0
 38 41  1  0  0  0  0
 38 39  1  0  0  0  0
 39 46  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 43  1  0  0  0  0
 41 42  2  0  0  0  0
 43 44  2  0  0  0  0
 43 54  1  0  0  0  0
 44 45  1  0  0  0  0
 44 47  1  0  0  0  0
 45 46  1  0  0  0  0
 47 48  1  0  0  0  0
 48 53  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 60  1  0  0  0  0
 57 61  1  0  0  0  0
 57 62  1  0  0  0  0
M  CHG  1  48   1
M  END
>  <CHROM.1>
130.74759087,174.07195738,-171.97600073,114.38939706,-4.28925277,13.24150207
-2.25370445,-47.03092068,130.12551104,-9.54399729,-50.60137799,-88.64399732
-117.95640699,-174.95435032,-79.40885104,89.87311679,1.38324710,220.05717507
185.89605765,245.51115277,1.56452914,-0.25744160,2.21356649

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446191/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.35664

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375439

>  <SCORE.INTRA>
-19.0434

>  <SCORE.INTRA.DIHEDRAL>
-9.64702

>  <SCORE.INTRA.DIHEDRAL.0>
21.3954

>  <SCORE.INTRA.POLAR>
-0.908003

>  <SCORE.INTRA.POLAR.0>
-0.0256569

>  <SCORE.INTRA.REPUL>
-0.51308

>  <SCORE.INTRA.REPUL.0>
0.51308

>  <SCORE.INTRA.VDW>
-8.56724

>  <SCORE.INTRA.VDW.0>
-8.1286

>  <SCORE.INTRA.norm>
-0.334094

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
57

>  <SCORE.norm>
0.0413445

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005288

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  198.5976  201.2083  252.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8955  201.4947  252.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1164  200.7942  254.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2805  200.9781  254.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2429  201.8699  254.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0406  202.5743  253.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8788  202.3946  252.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6985  203.2021  251.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5839  204.0911  250.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
178.68397808,200.79100369,202.07216092,252.83748854,1.64504048,0.46231235
2.18889407

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446192/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.92059

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-1.47941

>  <SCORE.INTRA.DIHEDRAL>
-3.62729

>  <SCORE.INTRA.DIHEDRAL.0>
3.63877

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.334232

>  <SCORE.INTRA.VDW.0>
0.199519

>  <SCORE.INTRA.norm>
-0.164379

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.546732

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  200.3485  201.0193  251.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1924  201.2672  250.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8763  202.7301  249.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8148  203.4083  250.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6749  204.7319  250.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4943  205.3206  249.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5153  204.6065  248.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7353  203.3336  249.1355 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3920  205.1955  247.9365 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6306  205.5694  250.5574 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9212  202.7920  251.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4140  201.9750  252.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5828  201.3809  253.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2216  201.7014  253.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6952  202.4953  252.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5273  202.9782  251.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1451  201.1280  254.8784 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.0783  200.4119  254.5694 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3054  200.2655  254.4513 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8381  199.2809  255.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1217  198.6305  256.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4033  197.3364  255.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3444  196.3732  255.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8098  195.1943  254.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6179  194.9162  254.9965 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8705  194.2782  254.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2744  199.0743  255.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6459  197.9042  254.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6082  196.9666  254.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0456  195.9637  253.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5235  195.8818  252.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5437  196.7842  252.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1037  197.7869  252.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2657  205.3931  248.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9314  205.9654  247.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7341  205.2698  250.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6395  205.5886  251.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-100.73886622,42.44806477,-69.01765668,107.30921230,5.65139490,-12.64571653
93.55437801,-100.06894228,59.34653358,-178.67021262,0.67474042,-132.68544841
198.21209347,200.26955268,252.84949001,-1.70709076,-0.51070845,2.53751823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446193/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.9436

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.527273

>  <SCORE.INTRA>
-6.4564

>  <SCORE.INTRA.DIHEDRAL>
-6.45193

>  <SCORE.INTRA.DIHEDRAL.0>
14.7173

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.23043

>  <SCORE.INTRA.VDW.0>
-0.338627

>  <SCORE.INTRA.norm>
-0.195648

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.331624

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005816

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  217.6370  187.3660  251.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2875  187.1467  252.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5548  186.7820  253.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1652  186.6357  253.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5289  186.8767  252.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2532  187.2245  251.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1673  186.8282  252.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2615  186.2668  255.3573 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.8434  187.6064  256.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0934  188.9103  256.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4762  189.4723  254.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6123  189.6863  253.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1149  190.3246  252.1507 P   0  0  0  0  0  0  0  0  0  0  0  0
  214.1511  189.4084  251.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2522  191.6961  252.3748 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5900  190.9281  250.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9255  187.5733  251.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9955  192.0645  251.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.8955  190.1320  250.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
53.13377640,139.41678404,79.49660824,-68.81428032,120.67449667,140.89256095
-153.95859483,-90.38482967,215.54818871,188.40422049,253.24944979,-1.17254299
1.00676405,-1.05444670

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446202/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.29387

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-6.10613

>  <SCORE.INTRA.DIHEDRAL>
0.24493

>  <SCORE.INTRA.DIHEDRAL.0>
10.9134

>  <SCORE.INTRA.POLAR>
-0.999652

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.82978

>  <SCORE.INTRA.VDW.0>
-0.875941

>  <SCORE.INTRA.norm>
-0.381633

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.268367

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003175

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  189.8430  219.3875  255.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0728  220.4901  256.1599 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9272  221.5040  256.9337 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.0156  222.7201  256.9506 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3188  222.6360  255.5703 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.3050  221.2431  255.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0693  223.4540  254.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2358  222.7651  254.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8366  223.4061  252.5330 P   0  0  0  0  0  0  0  0  0  0  0  0
  191.8769  224.2828  253.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6416  222.0217  252.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4375  224.0469  251.0427 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9806  223.1207  255.6713 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0415  222.6371  258.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1541  221.8677  256.3015 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6620  219.9548  254.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4926  221.4186  252.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4039  223.9113  251.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.5339  222.5551  256.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.5054  223.4513  258.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9627  222.2097  255.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.1006  220.6201  253.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  6  0  0  0
  4  5  1  0  0  0  0
  4 14  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <CHROM.1>
-64.22620404,-43.79325700,55.91769090,177.29552695,77.91334659,-59.44884812
163.20649124,96.48831328,-1.19538028,-53.73364434,189.88074533,222.32067238
254.67494616,-2.39960211,0.81282069,-0.55299014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446203/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.40567

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-13.8057

>  <SCORE.INTRA.DIHEDRAL>
-11.1199

>  <SCORE.INTRA.DIHEDRAL.0>
17.6032

>  <SCORE.INTRA.POLAR>
-1.76814

>  <SCORE.INTRA.POLAR.0>
-0.748775

>  <SCORE.INTRA.REPUL>
0.00887287

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27844

>  <SCORE.INTRA.VDW.0>
0.829421

>  <SCORE.INTRA.norm>
-0.862854

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
-0.275354

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015121

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  195.9145  222.6119  255.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4996  223.1128  254.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5525  223.8949  254.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2259  224.3993  252.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3913  225.2303  252.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5611  224.4088  252.1375 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6766  225.1364  251.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8720  224.2071  251.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
179.87574361,-179.97017223,60.27705734,-179.84963747,-179.76281869,197.59945832
224.11387415,253.13385404,-2.42892020,0.20198445,-0.90915520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446204/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3933

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.3

>  <SCORE.INTRA>
-0.00665628

>  <SCORE.INTRA.DIHEDRAL>
-0.0213794

>  <SCORE.INTRA.DIHEDRAL.0>
0.0221396

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00403344

>  <SCORE.INTRA.VDW.0>
-0.771519

>  <SCORE.INTRA.norm>
-0.000832035

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.29917

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.045081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  209.4022  193.8858  240.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3221  193.9247  241.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2279  194.7866  241.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2435  194.9005  242.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2714  194.1143  243.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3079  193.1381  243.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3208  193.0876  242.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4122  192.1456  243.0566 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.3616  191.1377  242.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3406  192.4493  243.8177 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.1139  192.2954  244.9903 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7022  191.0183  245.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1296  194.2937  244.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7788  194.6239  246.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0947  195.3953  244.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2746  193.0091  245.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0686  195.6154  240.4681 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.9988  195.0301  239.3808 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9853  196.8377  240.6389 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  4   8   1  10  -1  17   1  19  -1
M  END
>  <CHROM.1>
-124.48736823,159.90625022,207.25467800,193.75184412,243.04546409,-1.06144281
-0.60176959,2.19242297

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446205/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61005

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.789947

>  <SCORE.INTRA.DIHEDRAL>
0.101638

>  <SCORE.INTRA.DIHEDRAL.0>
1.07154

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.840766

>  <SCORE.INTRA.VDW.0>
2.63963

>  <SCORE.INTRA.norm>
-0.0415762

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.347898

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000113

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  222.6138  185.3671  246.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1852  186.6074  245.9954 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8731  186.9512  246.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7314  186.1679  245.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4727  186.6648  246.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3194  187.9388  246.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4566  188.7328  247.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7220  188.2345  246.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9601  188.4036  247.3327 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.2999  189.2364  246.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1880  190.1053  246.7632 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.7692  189.5807  248.0471 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7424  189.4369  249.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9526  189.0517  248.7089 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0419  189.2069  250.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1079  188.3622  249.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8851  188.5763  248.3665 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3228  190.2656  251.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7067  189.9597  252.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2566  191.5632  250.6138 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3757  191.9702  249.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1990  193.5089  249.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4470  194.3092  249.5190 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1770  193.8808  250.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4709  192.3739  250.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2493  194.1743  248.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6206  194.7789  247.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1304  196.0929  247.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5307  196.6404  245.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4133  195.8795  244.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8989  194.5774  244.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4988  194.0254  245.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0887  190.5188  245.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5773  191.2537  244.7691 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.4005  189.4844  245.2714 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.1912  191.3196  246.4262 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.8707  184.8958  245.4681 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8803  184.7922  244.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0167  187.6822  247.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
-49.75593103,-89.64731991,-97.10434304,-61.38609827,175.59556943,75.09657684
66.87074047,50.37489295,216.00937112,190.34293223,247.46087640,-0.22102092
0.86233244,-1.04582790

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446207/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.80011

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-8.59989

>  <SCORE.INTRA.DIHEDRAL>
2.80299

>  <SCORE.INTRA.DIHEDRAL.0>
12.0988

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.0014

>  <SCORE.INTRA.VDW.0>
4.47843

>  <SCORE.INTRA.norm>
-0.226313

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.126319

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000630

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 60 67  0  0  0  0  0  0  0  0999 V2000
  194.9503  225.1329  255.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8614  223.9976  255.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5888  223.0974  254.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4068  222.0111  253.8802 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6136  221.8327  254.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3883  220.9017  254.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9202  222.7892  255.4804 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1021  223.8096  255.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3857  224.5331  256.8305 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0483  220.9854  252.9133 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.1619  221.4616  251.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3024  220.4416  250.7693 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.1768  220.1665  251.7961 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.6928  220.5410  253.0922 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5635  218.7496  251.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5412  217.8486  252.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3126  216.4190  252.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7238  216.0742  253.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9100  215.4855  254.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2034  215.1176  254.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3446  215.3217  254.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1847  215.9209  252.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9165  216.2278  252.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5524  214.9109  254.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2520  213.9707  253.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1204  215.9505  253.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2648  214.8361  253.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0910  214.5196  253.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7001  215.3248  254.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4870  216.4325  255.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6829  216.7355  254.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4865  215.0385  255.4681 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5268  214.8866  256.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2008  215.7842  251.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8099  214.5523  250.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6629  213.4026  251.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8612  212.9759  252.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9121  212.8742  251.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0530  212.2660  251.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1825  212.2806  250.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1551  212.9501  249.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0148  213.6716  249.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8778  213.6232  249.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7777  214.4895  249.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7227  215.3952  248.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8133  215.3486  247.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9416  214.5203  248.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6229  216.3047  248.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9015  216.5370  249.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1684  219.3487  250.4304 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3591  219.6473  249.3847 P   0  0  1  0  0  0  0  0  0  0  0  0
  198.1117  218.0068  249.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5425  220.1958  247.9734 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3262  221.0271  247.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7624  222.4101  247.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6858  220.4112  246.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6194  219.1285  247.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3347  219.7148  246.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1269  218.2665  246.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7670  222.6521  256.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 60  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 17 34  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 34 49  1  0  0  0  0
 34 35  2  0  0  0  0
 35 44  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 47  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 45 48  1  0  0  0  0
 46 47  2  0  0  0  0
 48 49  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  6  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 57  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
M  END
>  <CHROM.1>
72.29535121,-64.39843477,66.89881556,-175.14882380,-175.87206502,119.50199972
143.40459521,138.81083940,121.89749744,128.11906439,-177.42311335,157.52700594
-66.75337007,145.12521496,195.86217660,217.72819830,251.81285566,1.45422745
1.02319976,0.33129134

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446208/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.38162

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.328814

>  <SCORE.INTRA>
-14.0184

>  <SCORE.INTRA.DIHEDRAL>
2.01222

>  <SCORE.INTRA.DIHEDRAL.0>
11.1026

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-15.0245

>  <SCORE.INTRA.VDW.0>
5.03631

>  <SCORE.INTRA.norm>
-0.2376

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
59

>  <SCORE.norm>
0.0912139

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.165791

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  214.3626  186.7475  239.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5913  187.0841  238.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4362  187.8863  239.0144 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7515  186.2401  237.1066 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.9125  186.7861  236.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
179.99798724,215.61118610,186.82679333,238.20427040,1.80036067,0.52048560
1.01527656

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446209/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-0.450006

>  <SCORE.INTRA.DIHEDRAL>
2.00287e-10

>  <SCORE.INTRA.DIHEDRAL.0>
2.93307e-09

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.450006

>  <SCORE.INTRA.VDW.0>
0.406725

>  <SCORE.INTRA.norm>
-0.112502

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.4875

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.106680

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  191.9258  216.5943  242.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5474  217.0611  243.5843 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.5596  218.1870  243.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8959  217.6993  242.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6480  218.5947  242.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9961  218.2402  241.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6925  219.1003  241.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5105  216.8386  241.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3629  215.8334  242.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4030  216.2751  243.1152 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.2797  215.2353  243.4502 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.3265  216.0027  244.3944 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.4898  215.1657  245.3304 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.8372  215.9402  246.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5006  214.8575  247.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3490  213.6203  247.1271 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.3598  214.1294  246.0755 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8634  213.1577  244.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7988  213.8685  243.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5805  214.7116  246.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5024  212.6024  246.6082 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0415  211.8171  246.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 19  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-177.06560983,194.09835560,215.85549802,244.15070771,0.91259015,0.40393299
-0.58178230

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446218/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.889

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.257143

>  <SCORE.INTRA>
-0.511

>  <SCORE.INTRA.DIHEDRAL>
-0.508572

>  <SCORE.INTRA.DIHEDRAL.0>
0.592759

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.256714

>  <SCORE.INTRA.VDW.0>
0.106638

>  <SCORE.INTRA.norm>
-0.0243333

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.23281

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001683

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  223.3720  183.6583  242.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2288  185.0010  241.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6420  186.1389  242.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2430  184.9543  240.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7851  185.2617  240.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5262  186.0924  239.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2199  186.3343  239.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1348  185.7617  239.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3591  184.9668  241.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6686  184.7210  241.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7526  185.9891  239.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4937  186.7185  238.4513 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1815  186.9268  237.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0316  186.3923  238.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8274  186.7237  238.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7108  187.4014  236.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8146  187.9568  236.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0426  187.7567  236.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3453  187.5492  236.5133 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6310  187.1321  237.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4249  187.2359  237.7879 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5447  186.5782  238.5391 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0036  187.2681  235.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3116  186.3561  239.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-154.43398362,0.37943975,0.09119865,217.67315612,186.23083271,239.14892519
0.40834289,0.01356545,2.11852417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446219/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.32254

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-0.0774564

>  <SCORE.INTRA.DIHEDRAL>
-0.211226

>  <SCORE.INTRA.DIHEDRAL.0>
0.973646

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0281567

>  <SCORE.INTRA.VDW.0>
1.86945

>  <SCORE.INTRA.norm>
-0.00352075

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.378297

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000254

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 52 51  0  0  0  0  0  0  0  0999 V2000
  196.7764  210.6854  266.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5376  209.1859  266.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6889  208.7216  265.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5022  207.2047  265.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7883  206.5875  264.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0812  206.6927  264.4311 P   0  0  0  0  0  0  0  0  0  0  0  0
  193.0918  208.1988  264.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1946  206.2552  262.5862 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4229  204.6137  262.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6891  203.7508  261.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7038  203.8024  260.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0920  206.7744  261.6760 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5857  208.3678  261.4667 P   0  0  0  0  0  0  0  0  0  0  0  0
  190.4826  208.6883  262.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2606  209.9953  263.2508 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6481  210.4295  264.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4803  210.8159  265.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9693  211.2897  266.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5219  211.1896  262.0773 P   0  0  0  0  0  0  0  0  0  0  0  0
  190.9204  211.5434  261.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8264  210.0656  261.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6198  209.3506  261.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3292  210.1291  261.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2304  210.9366  262.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8846  211.6307  262.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8237  212.3187  260.9679 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5287  213.5693  261.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8079  214.3366  261.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3618  213.9242  263.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6429  214.6598  263.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8172  209.2238  262.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9945  209.8416  261.5269 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4708  211.1642  262.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4714  211.2083  263.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8600  212.5451  264.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1685  208.7141  260.7280 P   0  0  0  0  0  0  0  0  0  0  0  0
  196.3050  209.3046  259.9609 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7143  207.7607  261.9547 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5818  206.6716  261.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9676  205.8331  262.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7942  204.5947  262.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0796  203.7298  263.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3452  207.5706  259.9321 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6620  207.7327  258.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9429  206.5212  258.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2434  206.8230  256.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4377  205.6398  256.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3743  206.7977  264.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5698  207.0257  265.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0767  207.1762  265.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3653  207.4219  266.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8759  207.5617  266.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 48  1  0  0  0  0
  8  9  1  1  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 36 43  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 41 42  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
M  END
>  <CHROM.1>
179.70939673,-177.00427721,-72.73073531,45.12572987,77.14040377,61.57098231
-175.57107707,55.42018442,-54.87687347,-85.35548282,149.60953082,94.41126272
-108.49507151,-118.07247726,-85.28416060,-177.37991873,79.58690101,-63.74236234
59.69595395,-68.19829956,-175.87960105,71.79427532,-86.99551464,179.89613807
144.77649236,43.98447312,171.62785997,-176.35287837,174.43527423,75.29733115
-177.64584943,175.04945390,-175.98694567,-178.48291886,-179.95193688,-176.75808749
177.83460410,-179.53974327,179.97253176,192.21842743,208.77919673,262.65336305
-0.38356918,-0.48749863,0.98377462

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446220/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
25.8196

>  <SCORE.INTER>
44.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
39

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0180265

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.8167

>  <SCORE.INTRA.VDW.0>
-10.8914

>  <SCORE.INTRA.norm>
-0.357315

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.496531

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009974

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  195.5147  213.1403  261.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4569  214.5326  262.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6661  214.5231  263.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0101  214.5152  264.5141 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3024  213.1117  260.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3597  211.4816  259.5070 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
-179.94237803,-179.98709463,195.60092004,213.10349512,261.36539550,2.27016255
0.99486136,0.35970724

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446221/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24601

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-0.0419233

>  <SCORE.INTRA.DIHEDRAL.0>
0.0419365

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.133032

>  <SCORE.INTRA.VDW.0>
-0.112184

>  <SCORE.INTRA.norm>
-0.0256656

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.20767

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.033198

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  215.9950  180.4378  248.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4605  181.8495  248.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5306  182.7796  249.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0260  184.2081  249.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6455  184.8936  248.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4547  185.6986  247.8376 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2886  184.6605  247.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1484  184.1842  246.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7618  184.0871  245.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6203  183.7606  246.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6760  184.7496  247.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0551  184.9650  248.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1293  185.4434  249.6029 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7315  182.3051  247.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2706  183.9225  246.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1680  183.7679  245.5330 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9402  183.2673  244.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5783  181.8802  243.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9739  181.8787  244.3214 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1504  182.2946  245.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5950  183.7082  245.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
178.69234174,-63.14821857,-101.83384018,-122.71466597,-179.62966148,214.56078060
183.52903072,247.04933876,-0.42089948,-0.28369520,1.24120231

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446222/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-33.3642

>  <SCORE.INTRA.DIHEDRAL>
-69.0048

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.13826

>  <SCORE.INTRA.VDW.0>
-1.28732

>  <SCORE.INTRA.norm>
-1.58877

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
-1.09353

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040838

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  195.2515  206.4850  261.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6044  207.2018  261.7010 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.5362  208.5578  260.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2169  208.3456  259.4941 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.8661  207.6226  259.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9219  206.2651  260.0817 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.0199  205.4022  259.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4034  206.0973  259.5484 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.7045  206.3364  261.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3161  207.4821  258.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5183  205.2257  258.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2231  204.7967  257.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1091  205.9162  256.5678 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8975  206.2716  256.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8576  205.6456  256.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9178  207.4987  255.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7367  207.9244  254.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7740  209.0634  253.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9833  209.7326  253.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1092  209.2386  254.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1151  208.1389  255.0280 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8952  206.5350  256.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
53.58776684,62.21314817,-110.43347966,179.89317555,196.77104949,207.07678024
257.81919795,1.73738666,-0.98798294,1.96671830

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446223/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.23166

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-1.16834

>  <SCORE.INTRA.DIHEDRAL>
-0.0792081

>  <SCORE.INTRA.DIHEDRAL.0>
1.45681

>  <SCORE.INTRA.POLAR>
-0.00341825

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.11712

>  <SCORE.INTRA.VDW.0>
-0.0426085

>  <SCORE.INTRA.norm>
-0.0556355

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.391984

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  216.5927  187.6386  247.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5159  186.3744  247.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5239  186.3794  249.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4571  185.7285  249.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3983  185.7126  251.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3615  186.3789  251.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4023  187.0515  251.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4837  187.0478  249.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2302  186.3408  253.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8760  187.1247  254.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2589  185.3268  253.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2367  184.0296  253.3599 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4310  183.3749  253.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4195  183.7538  254.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4211  182.2002  252.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4734  182.5369  250.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5561  183.2560  250.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6545  183.4807  249.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6875  183.0025  248.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5969  182.3008  248.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4923  182.0682  250.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9134  183.2639  246.8937 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7770  183.5357  246.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7189  184.1563  248.6456 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.5323  185.1017  248.8928 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1663  185.4024  249.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
125.03597630,-130.34791979,-165.01689881,41.03710531,59.64929003,8.39283867
71.91305684,59.72436117,-144.36420314,216.32572610,184.72576778,250.31164035
1.03076187,1.55398421,-1.09896727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446224/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.60818

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-6.79182

>  <SCORE.INTRA.DIHEDRAL>
4.42489

>  <SCORE.INTRA.DIHEDRAL.0>
8.26677

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.00427

>  <SCORE.INTRA.VDW.0>
6.28932

>  <SCORE.INTRA.norm>
-0.261224

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.292622

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000227

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  205.7557  194.2028  249.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6137  193.1226  248.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2374  191.8894  248.8886 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2105  191.1020  247.7466 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5634  191.7732  246.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9612  193.4154  246.9672 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.6668  191.0457  245.0946 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.5429  189.5200  245.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6890  189.8033  246.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7329  189.5263  247.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7293  190.1263  248.5822 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0642  191.5377  248.3706 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.4816  191.1989  248.9174 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.0193  189.7237  248.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5923  188.6549  248.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7475  191.6634  250.3145 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9622  192.9972  250.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0141  193.8502  249.6928 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1822  193.3566  252.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3152  192.5739  252.8577 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2097  192.9631  253.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7178  191.9136  254.1616 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5488  190.8646  253.8420 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5271  191.2611  253.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1059  192.1220  246.6402 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.8577  190.5152  245.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6603  188.6847  248.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8816  188.6525  249.9094 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7047  188.1839  248.0076 O   0  5  0  0  0  0  0  0  0  0  0  0
  210.6516  190.9936  251.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 26  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  6  0  0  0
 13 14  1  0  0  0  0
 13 16  1  1  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  1  29  -1
M  END
>  <CHROM.1>
-45.00754719,-44.79562860,106.84817778,-175.07023130,-73.95676617,-38.68160889
-107.52998997,208.10323613,191.35332017,248.84543616,2.40467488,0.72892826
-2.39976577

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446225/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37749

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-6.02251

>  <SCORE.INTRA.DIHEDRAL>
-1.38044

>  <SCORE.INTRA.DIHEDRAL.0>
9.13846

>  <SCORE.INTRA.POLAR>
-0.619795

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.22499

>  <SCORE.INTRA.VDW.0>
-2.75402

>  <SCORE.INTRA.norm>
-0.207673

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.219913

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  198.4589  207.0180  246.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9777  206.9317  246.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7271  208.0241  245.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5219  207.7955  244.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0615  206.5657  243.8530 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.2623  206.5492  243.5733 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2263  205.6660  243.8053 O   0  5  0  0  0  0  0  0  0  0  0  0
  200.2875  207.0246  247.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8587  205.9095  246.9318 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2506  204.6632  246.3959 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.2051  204.0970  246.9368 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5604  204.3093  245.4446 O   0  5  0  0  0  0  0  0  0  0  0  0
  201.2450  206.9290  247.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  4   5   1   7  -1  10   1  12  -1
M  END
>  <CHROM.1>
175.73552253,-63.31435945,-64.45958839,177.40409349,-63.14403681,-83.52714033
94.26606699,199.70710925,206.18975209,245.62849883,-2.93917876,-0.79193031
-2.19018981

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446234/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.18386

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-9.21614

>  <SCORE.INTRA.DIHEDRAL>
-7.68002

>  <SCORE.INTRA.DIHEDRAL.0>
8.1036

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.37613

>  <SCORE.INTRA.VDW.0>
4.54835

>  <SCORE.INTRA.norm>
-0.768012

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.181988

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.075301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  193.4158  207.6224  262.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0058  207.1918  261.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7644  208.1204  260.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3914  208.4704  259.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2374  209.3157  258.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3859  209.8578  259.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7285  209.5336  260.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9355  208.6521  261.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8859  209.6580  257.6309 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4915  208.8699  256.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0695  208.0038  259.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4598  207.0454  259.5951 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6491  208.7630  258.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4238  208.3401  257.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5201  206.9753  256.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6352  205.9540  257.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7424  204.6740  256.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7361  204.3995  255.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6170  205.4134  255.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5085  206.6944  255.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8531  203.0834  255.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9546  202.0203  254.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <CHROM.1>
-120.96781310,-22.09772585,-97.04177601,176.63793286,-64.04581229,123.65062578
193.39395038,207.25774716,258.32331846,0.72727498,0.88464327,1.54534505

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446236/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27793

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-3.12207

>  <SCORE.INTRA.DIHEDRAL>
1.16868

>  <SCORE.INTRA.DIHEDRAL.0>
9.57943

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0630282

>  <SCORE.INTRA.REPUL.0>
0.0630282

>  <SCORE.INTRA.VDW>
-3.39127

>  <SCORE.INTRA.VDW.0>
3.62137

>  <SCORE.INTRA.norm>
-0.141912

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.37627

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001400

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  222.6836  197.7987  239.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6607  196.3158  239.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9937  195.9281  240.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4799  196.0430  240.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4204  195.1126  238.2102 Si  0  0  0  0  0  0  0  0  0  0  0  0
  220.8109  195.7200  237.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9017  195.5710  237.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4122  193.4826  238.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5375  192.4189  237.6779 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.4117  192.5109  236.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4010  191.4407  236.9648 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.9203  191.5366  237.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5066  190.7231  238.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6769  190.1772  238.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7101  191.1919  238.4305 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.2115  191.0459  238.3514 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.8730  190.7483  239.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6867  191.5079  240.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1029  190.3109  238.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4971  190.9677  239.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0925  192.4203  239.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3194  193.3242  239.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0298  193.4546  240.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8117  194.3272  241.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9491  192.4612  240.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6843  192.5262  241.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-57.71408264,-167.06242998,-57.19918033,-106.94334678,-3.02857405,75.88238988
-72.06325736,-68.90818567,-91.16116502,178.97362155,220.59265162,193.17499729
239.05943348,0.58069218,0.33253537,0.43146536

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446238/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.4715

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.592308

>  <SCORE.INTRA>
-2.92846

>  <SCORE.INTRA.DIHEDRAL>
-0.102027

>  <SCORE.INTRA.DIHEDRAL.0>
5.06997

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.87744

>  <SCORE.INTRA.VDW.0>
0.661353

>  <SCORE.INTRA.norm>
-0.112633

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.479675

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005175

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 43  0  0  0  0  0  0  0  0999 V2000
  203.5530  210.5395  255.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7681  209.8141  254.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2978  208.4937  253.8637 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6575  207.7284  252.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4483  206.7949  252.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9067  206.0806  251.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5753  206.3387  250.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7481  207.1466  251.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2971  207.8515  252.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0905  205.9076  249.5390 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9351  205.4283  248.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6701  205.5113  247.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1525  204.7246  249.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6318  205.0780  250.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5947  203.6120  248.0873 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4397  202.7007  247.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9303  202.5286  246.5297 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8896  201.6529  246.6588 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7454  201.2750  247.9179 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7166  201.9110  248.6089 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8448  201.6451  250.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3043  201.5290  250.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3852  202.1467  251.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0121  202.7142  252.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2553  202.7655  250.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3008  204.1520  246.8794 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4300  205.0346  247.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6301  204.2996  247.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2560  203.2705  247.0317 N   0  0  1  0  0  0  0  0  0  0  0  0
  206.2673  202.5202  246.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8457  203.1246  245.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4535  203.7717  246.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4357  202.6411  245.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5380  203.1123  244.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9408  203.8251  243.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2241  205.0796  244.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0873  204.7376  245.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2247  206.2939  249.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  6  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  6  0  0  0
 30 31  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
179.41473056,148.66947891,-50.86526337,117.69874644,53.16945751,-38.42620897
156.24716633,204.00673687,204.53026722,248.94959323,-2.27857669,-0.46141885
-2.41142346

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446239/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2756

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335135

>  <SCORE.INTRA>
-2.1244

>  <SCORE.INTRA.DIHEDRAL>
1.29638

>  <SCORE.INTRA.DIHEDRAL.0>
5.01708

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.77259

>  <SCORE.INTRA.VDW.0>
-0.977367

>  <SCORE.INTRA.norm>
-0.0574162

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.277719

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000247

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  201.0000  215.2117  261.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0728  214.3177  261.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2041  214.0779  259.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3622  214.6464  259.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1035  215.5929  257.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4361  216.9004  258.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1564  217.2860  258.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9909  216.5021  257.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7948  216.3086  258.4830 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7086  215.4405  257.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0116  214.7257  259.0205 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7983  215.0527  260.2137 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1226  215.5345  259.7929 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.7934  216.4687  260.7081 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1135  217.6843  260.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1379  218.8370  261.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4006  219.9296  260.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6886  219.8564  259.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7259  218.7063  258.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4594  217.6311  259.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5486  215.1740  259.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6100  214.4019  258.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3862  216.4702  259.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0096  216.8472  259.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3530  217.8811  259.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9794  213.6726  261.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8465  214.3249  260.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7753  216.5962  260.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  1  0  0  0
 12 27  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-120.01107307,64.25938060,-106.82825891,118.78211722,-176.29753562,116.04468784
-178.09538512,197.27264948,216.30932412,259.52343404,0.13337011,0.05319875
3.02292430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446240/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.83985

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-7.56015

>  <SCORE.INTRA.DIHEDRAL>
-6.73091

>  <SCORE.INTRA.DIHEDRAL.0>
8.20389

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00090088

>  <SCORE.INTRA.REPUL.0>
0.00090088

>  <SCORE.INTRA.VDW>
-4.19019

>  <SCORE.INTRA.VDW.0>
1.80643

>  <SCORE.INTRA.norm>
-0.290775

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.186148

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000844

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  207.2404  194.8206  242.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2389  194.8872  243.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2135  195.8984  244.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1972  196.8657  244.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1815  196.7700  243.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2076  195.7558  242.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1990  197.9681  245.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0816  199.1779  245.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4812  198.8339  244.8302 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4433  199.8083  244.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1708  200.9984  244.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8715  199.2603  244.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1801  198.2388  243.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3272  197.5414  242.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1125  198.0958  242.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3262  197.4105  241.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7524  196.1900  240.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9369  195.6176  241.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7043  196.2767  242.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0106  197.9428  240.9673 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.6278  198.9818  241.5254 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3451  197.3082  240.1372 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.8331  199.8611  245.3326 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1777  199.9798  245.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6667  199.6129  243.9444 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0884  200.6596  245.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4453  200.7431  245.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3856  201.2237  246.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9843  201.6478  247.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6344  201.5978  248.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6798  201.1022  247.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2160  201.2440  246.0593 Br  0  0  0  0  0  0  0  0  0  0  0  0
  209.7691  197.8942  245.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4797  200.3748  246.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
83.89853250,-57.74847619,-174.51690576,50.53495497,16.20624422,179.17644450
212.15415913,198.89265455,244.24410826,-2.63658725,0.13531649,0.96052389

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446241/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.92569

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-7.47431

>  <SCORE.INTRA.DIHEDRAL>
-8.10904

>  <SCORE.INTRA.DIHEDRAL.0>
18.0445

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.41979

>  <SCORE.INTRA.VDW.0>
-2.01634

>  <SCORE.INTRA.norm>
-0.233572

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.122678

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000461

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  196.1684  214.3287  250.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6056  215.4191  251.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6420  216.0418  252.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3605  217.0877  253.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0301  217.5070  253.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9853  216.8666  252.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2867  215.8324  251.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6966  217.4182  252.4949 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8999  215.4238  251.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6518  214.4083  250.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6792  213.6466  250.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9745  213.9221  250.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2362  214.9298  251.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1927  215.6912  252.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0433  213.2185  250.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6709  218.4136  252.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.1542  217.1693  253.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7209  212.5587  249.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
47.85852541,-0.20540021,197.03854402,215.43216706,251.64846925,2.63267002
-0.12438433,0.72400694

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446250/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06355

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.336446

>  <SCORE.INTRA.DIHEDRAL>
-0.215809

>  <SCORE.INTRA.DIHEDRAL.0>
0.616015

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.228541

>  <SCORE.INTRA.VDW.0>
0.301708

>  <SCORE.INTRA.norm>
-0.0224297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.404237

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002084

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 35  0  0  0  0  0  0  0  0999 V2000
  197.3852  214.8010  254.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3858  213.7926  253.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1206  212.6557  254.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2013  211.6849  254.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5046  211.8208  252.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5347  210.8126  252.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8544  210.9904  251.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0841  212.1671  250.5344 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0880  213.1161  250.9701 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7468  212.9310  252.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6856  213.9296  252.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8813  215.0892  251.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7744  212.9670  250.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5306  211.6020  249.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7331  210.6664  249.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8841  211.2905  250.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1786  211.2544  249.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6142  210.5439  248.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3279  211.8988  250.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0048  210.9218  251.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2672  210.3798  252.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7340  209.1358  252.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7585  208.0177  251.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9048  206.9841  251.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0120  206.1747  252.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9714  206.3198  253.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1884  207.1978  253.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8945  205.6155  255.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1164  208.8529  254.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1535  209.6243  254.9695 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4849  207.6614  254.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7359  212.4098  255.7495 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0750  207.4600  254.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9300  211.4667  255.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  6  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
-141.07432602,-54.02699200,-53.22963073,-133.86607734,93.10391156,-66.74888347
102.96422489,92.17100508,-4.31979459,60.30158535,-107.59403329,-179.86181396
196.51684556,210.70774156,252.32543844,-2.95838265,0.88460940,-2.19094178

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446251/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.04902

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-12.351

>  <SCORE.INTRA.DIHEDRAL>
-2.01555

>  <SCORE.INTRA.DIHEDRAL.0>
8.41142

>  <SCORE.INTRA.POLAR>
-0.992845

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.96753

>  <SCORE.INTRA.VDW.0>
2.85252

>  <SCORE.INTRA.norm>
-0.385968

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0952819

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002915

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  184.2387  194.7208  271.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4439  195.6967  272.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7537  195.6620  273.4881 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4756  196.5897  272.2923 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9844  196.4867  271.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3314  195.3129  270.0229 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.3067  197.4700  270.6045 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.4098  198.1446  271.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-0.34089613,185.51201722,196.10792346,271.28900190,2.91457954,0.70832137
1.07596277

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446252/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38567

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-0.014326

>  <SCORE.INTRA.DIHEDRAL>
-0.0288644

>  <SCORE.INTRA.DIHEDRAL.0>
0.0290065

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000106263

>  <SCORE.INTRA.VDW.0>
-0.0621553

>  <SCORE.INTRA.norm>
-0.00204657

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.912239

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012284

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  181.7285  213.5201  261.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1133  212.0444  261.5092 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.6297  211.8681  261.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0277  210.4699  261.4713 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.8659  209.6391  262.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7903  208.9430  262.8273 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.0650  208.3513  264.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3096  208.6654  264.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8388  209.4803  263.4986 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1223  210.1350  263.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8122  208.2064  265.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9340  208.4885  266.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8869  207.4268  266.4390 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.5879  207.1100  266.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7975  206.4770  266.7091 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.2094  207.5542  264.7358 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.9036  207.1901  264.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2820  206.9326  267.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9131  205.5554  267.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2971  205.4003  267.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8690  204.1259  267.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0747  202.9933  267.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6981  203.1346  267.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1217  204.4069  267.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5663  203.9502  267.2675 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  181.4024  211.3793  262.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5986  210.1411  260.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.6013  210.4283  262.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-169.84761653,175.15904750,-83.40363700,89.34910634,-92.05290878,89.03571620
184.27478711,207.69910507,265.08634706,-1.97042238,-0.03225017,2.46717382

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446253/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.68699

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-4.71301

>  <SCORE.INTRA.DIHEDRAL>
0.5305

>  <SCORE.INTRA.DIHEDRAL.0>
4.02504

>  <SCORE.INTRA.POLAR>
-0.999145

>  <SCORE.INTRA.POLAR.0>
-0.000855079

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.58116

>  <SCORE.INTRA.VDW.0>
-1.16226

>  <SCORE.INTRA.norm>
-0.181269

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.218731

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001605

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  185.1654  212.1267  264.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2462  211.1292  263.8225 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.6127  212.3340  263.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7607  211.7883  262.6933 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4624  210.5715  263.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5297  209.2976  262.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0545  209.1660  261.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4079  210.2579  260.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3019  211.5999  261.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8431  212.6405  260.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-179.76201642,-64.12585825,187.78562898,211.11546377,262.65342772,-2.78750164
0.74789651,-0.98695704

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446254/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.72313

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.676867

>  <SCORE.INTRA.DIHEDRAL>
-0.0102066

>  <SCORE.INTRA.DIHEDRAL.0>
0.404774

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.671763

>  <SCORE.INTRA.VDW.0>
-0.320898

>  <SCORE.INTRA.norm>
-0.0676867

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.672313

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020857

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  188.8662  218.4527  258.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4742  217.8540  258.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5688  218.3150  257.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9284  217.6121  257.9692 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.0371  216.1803  257.7712 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.3219  218.1560  259.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0407  218.2708  256.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7487  217.5208  256.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6888  217.6391  257.7491 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.1569  216.6585  258.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.5850  219.0426  258.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.1013  217.0895  257.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0515  217.1164  258.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6907  216.6557  257.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.63362282,-66.47718308,165.36824913,60.39987720,-80.49788865,179.57484500
179.99894558,183.30377265,217.60992256,257.94183249,0.06995127,0.11793412
1.73552602

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446255/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6654

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-0.734579

>  <SCORE.INTRA.DIHEDRAL>
0.820772

>  <SCORE.INTRA.DIHEDRAL.0>
0.392803

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14497

>  <SCORE.INTRA.VDW.0>
-1.46481

>  <SCORE.INTRA.norm>
-0.05247

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.833244

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002906

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  216.3327  180.1830  251.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5401  179.6416  249.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8307  180.5359  248.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7253  180.0740  247.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1142  180.8711  246.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6070  182.1646  246.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7029  182.6541  247.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3220  181.8307  248.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1637  184.0635  247.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7153  185.0612  248.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6618  185.7952  248.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1559  185.0365  249.8968 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2480  178.8126  248.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5529  185.6610  250.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.8610  178.4301  248.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
144.93668478,-0.22031985,-106.50949464,94.58015946,177.43057609,217.00889036
182.06281044,248.63998510,1.32070112,-1.13250804,2.86634872

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446256/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.38662

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-1.01338

>  <SCORE.INTRA.DIHEDRAL>
1.56745

>  <SCORE.INTRA.DIHEDRAL.0>
2.02715

>  <SCORE.INTRA.POLAR>
-0.00051819

>  <SCORE.INTRA.POLAR.0>
-0.333474

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79534

>  <SCORE.INTRA.VDW.0>
2.20159

>  <SCORE.INTRA.norm>
-0.0779519

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.568202

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004400

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 44 49  0  0  0  0  0  0  0  0999 V2000
  184.0561  222.1755  252.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2847  221.4639  252.1859 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6181  220.7692  253.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0677  219.4422  253.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0764  218.5605  254.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6390  219.0300  255.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5657  220.3952  255.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4630  221.2694  254.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2613  220.7320  257.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1504  221.1236  258.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6554  221.1399  259.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2964  220.8791  259.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7912  221.1245  260.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6170  221.5638  261.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9796  221.6993  261.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5022  221.4857  260.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9316  221.9363  263.0316 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.5347  221.9832  262.6006 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.4007  221.0370  261.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0825  223.4144  262.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7968  223.7692  262.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1655  224.4711  262.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9755  224.3902  261.1426 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4127  225.1856  260.0858 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.3950  225.3240  258.9020 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.5541  223.9820  258.1670 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.1816  223.3754  257.8350 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.2660  223.3464  259.0662 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.1621  224.6672  259.6316 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.8463  222.8835  258.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6954  221.4697  258.8370 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6003  224.1691  256.7793 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2676  224.1712  256.9304 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6510  225.8576  259.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4032  220.4497  258.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9193  220.1826  257.3783 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.9669  218.6559  257.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1491  218.1436  256.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3698  219.0859  251.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4791  218.2181  251.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4864  221.0403  258.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.4795  225.0775  257.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.3675  223.2816  256.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.0120  225.2448  260.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  2  0  0  0  0
  6 38  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 36  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  2  0  0  0  0
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 20 21  2  0  0  0  0
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 24 23  1  1  0  0  0
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 25 34  1  1  0  0  0
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 26 33  1  6  0  0  0
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 27 32  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  1  6  0  0  0
 30 31  1  0  0  0  0
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 32 42  1  0  0  0  0
 33 43  1  0  0  0  0
 34 44  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  1  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <CHROM.1>
133.13800905,143.01117996,-169.27212549,76.08504565,87.88333497,169.46281771
59.60530517,177.67547763,-62.14843877,91.91252178,-43.02490260,184.22201257
221.87846137,258.00751505,0.59678135,1.19675175,-1.05574598

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446257/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.50446

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.31

>  <SCORE.INTRA>
-8.89554

>  <SCORE.INTRA.DIHEDRAL>
6.13943

>  <SCORE.INTRA.DIHEDRAL.0>
8.62189

>  <SCORE.INTRA.POLAR>
-0.81364

>  <SCORE.INTRA.POLAR.0>
-0.188525

>  <SCORE.INTRA.REPUL>
-0.0083966

>  <SCORE.INTRA.REPUL.0>
0.0083966

>  <SCORE.INTRA.VDW>
-9.1569

>  <SCORE.INTRA.VDW.0>
3.11229

>  <SCORE.INTRA.norm>
-0.222389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.0876115

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000046

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  208.7265  186.3848  235.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0115  186.1852  236.4649 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.0457  185.4068  235.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4502  185.1597  236.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6111  184.5924  237.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8837  184.4116  237.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0205  184.7893  237.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
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  211.7030  187.8025  237.7355 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8252  188.1969  237.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9278  188.4947  235.8633 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9682  188.1044  237.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2905  188.4490  237.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1822  188.2101  238.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7408  187.6071  239.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3969  187.2482  240.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5261  187.5339  239.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0878  187.3011  238.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4626  186.6964  239.8031 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6007  185.2962  237.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2598  184.5587  238.5917 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 14 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <CHROM.1>
175.36001623,-175.35919708,51.36888631,95.34809037,212.63282355,186.57234030
237.55947457,2.70055268,-0.03521753,-2.23211184

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446258/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.94152

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-4.45848

>  <SCORE.INTRA.DIHEDRAL>
0.349671

>  <SCORE.INTRA.DIHEDRAL.0>
1.46519

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.63332

>  <SCORE.INTRA.VDW.0>
-2.41209

>  <SCORE.INTRA.norm>
-0.193847

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.214849

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  209.4266  195.0950  248.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
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  209.2119  196.3185  245.7712 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0995  196.0844  246.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
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  206.7883  196.5264  245.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
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  200.9865  191.0721  249.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8533  192.3756  249.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9642  193.0491  248.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6097  190.2351  250.2918 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
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 12 13  1  0  0  0  0
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 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
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M  END
>  <CHROM.1>
144.33830104,-32.47255471,-35.79977811,149.63850977,-12.34110498,-177.89807885
-10.22544025,-178.48126606,206.06208228,196.48055288,246.33933783,-0.87894666
0.18801659,2.51673506

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446259/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45173

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-6.94827

>  <SCORE.INTRA.DIHEDRAL>
-20.2588

>  <SCORE.INTRA.DIHEDRAL.0>
42.4503

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
3.18113

>  <SCORE.INTRA.VDW.0>
-3.36804

>  <SCORE.INTRA.norm>
-0.193007

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.179215

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000095

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  200.7961  227.6529  251.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1147  226.4125  251.0425 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4507  226.1898  250.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3250  226.9382  251.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7266  224.8885  250.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0653  224.5348  250.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4059  223.3281  249.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4171  222.4459  249.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0733  222.8075  249.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7265  224.0207  249.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6972  221.1968  248.4430 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9247  220.5471  248.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9411  220.9468  248.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9811  219.2246  247.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9028  218.2362  248.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9842  217.0225  247.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1326  216.7712  246.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1640  217.7104  246.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0603  218.9308  246.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0652  219.8662  246.3015 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3238  221.0685  245.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1685  221.2446  244.7972 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4412  222.2107  246.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8598  223.5478  245.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9407  224.5785  246.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6098  224.2784  246.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1814  222.9562  246.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0950  221.9240  246.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4847  225.5536  246.7557 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.4629  224.0257  245.5367 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.8940  220.7045  248.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1221  219.4880  246.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
0.10959238,179.15093961,13.21371432,-151.26303823,68.21037635,39.02996322
151.51532046,203.03144408,222.66081240,247.78958556,-2.23281404,0.84549917
-2.24655163

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446260/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.91371

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-5.48629

>  <SCORE.INTRA.DIHEDRAL>
-1.03057

>  <SCORE.INTRA.DIHEDRAL.0>
8.75402

>  <SCORE.INTRA.POLAR>
-0.235393

>  <SCORE.INTRA.POLAR.0>
-0.11731

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.17067

>  <SCORE.INTRA.VDW.0>
0.741467

>  <SCORE.INTRA.norm>
-0.182876

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.230457

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000147

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  197.6304  191.1425  240.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7467  192.1005  240.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0770  191.4127  241.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2144  192.3518  241.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9841  193.0097  240.6546 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5384  192.9306  239.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8142  194.0383  238.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6332  195.0432  239.6363 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4127  193.9608  237.6397 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2986  192.7660  236.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3756  192.7880  235.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3038  191.5860  234.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0878  190.3911  235.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9660  190.3673  236.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0948  191.5585  237.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9953  189.2473  234.8212 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.5131  192.5350  243.1438 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.2776  194.8523  237.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
178.95808860,-82.82924417,98.33889268,5.08346476,-156.48767895,200.42007559
192.19894168,238.91616797,1.25271687,1.14179239,1.59565288

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446261/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.60926

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-4.79074

>  <SCORE.INTRA.DIHEDRAL>
-11.0291

>  <SCORE.INTRA.DIHEDRAL.0>
14.2324

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.723809

>  <SCORE.INTRA.VDW.0>
-2.39185

>  <SCORE.INTRA.norm>
-0.281808

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.329957

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000627

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  205.2297  211.9164  246.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6652  210.6906  246.7760 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8773  209.6889  247.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5497  209.9627  247.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6892  208.9392  248.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1285  207.6227  248.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4431  207.3241  247.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3614  208.3398  247.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7374  207.9857  246.9602 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8126  208.9722  246.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0073  208.5547  247.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4538  207.1579  247.4939 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2853  206.2451  247.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1512  206.6190  246.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1762  206.9155  246.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6168  205.4478  245.9324 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.8158  205.0565  244.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5603  204.8486  243.8919 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5331  205.7326  243.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7352  207.1047  243.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6328  207.9805  243.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3225  207.4776  243.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1062  206.0907  243.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2250  205.2431  243.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8395  205.6035  243.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4654  204.3663  244.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3147  208.3892  243.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0837  208.4382  243.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8033  209.3202  243.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9586  210.0299  243.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8060  205.1886  246.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6026  205.2700  247.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-17.69910986,12.21618746,-178.52617114,155.49183973,-77.79808167,63.14454465
61.21184518,31.28638891,-16.95697340,-141.32672628,-164.76159985,207.02693994
207.52643859,245.55350504,-2.63144682,0.30558413,-2.20884100

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446262/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.5273

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496774

>  <SCORE.INTRA>
-2.87273

>  <SCORE.INTRA.DIHEDRAL>
4.64507

>  <SCORE.INTRA.DIHEDRAL.0>
3.78608

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0348767

>  <SCORE.INTRA.REPUL.0>
0.0348767

>  <SCORE.INTRA.VDW>
-5.02088

>  <SCORE.INTRA.VDW.0>
4.34587

>  <SCORE.INTRA.norm>
-0.0926687

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.404105

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  197.9458  217.3028  251.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8865  216.4684  250.8968 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3578  215.3596  250.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4243  215.4321  249.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9400  214.2705  248.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3874  213.0302  249.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3219  212.9262  250.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8342  214.1054  250.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9575  214.0539  251.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1989  212.6773  252.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1483  211.6012  251.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7575  211.5437  250.6092 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7206  210.8560  251.5537 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3244  211.6339  252.7148 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5335  210.6334  250.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6542  211.0955  253.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8033  212.4453  252.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9553  210.1970  251.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
61.84189329,-54.00389183,-179.70854065,179.23415619,198.28654078,213.43892237
250.84235998,-1.49851382,0.72015395,2.92304726

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446263/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.68579

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-4.71421

>  <SCORE.INTRA.DIHEDRAL>
-4.82907

>  <SCORE.INTRA.DIHEDRAL.0>
8.76903

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.29967

>  <SCORE.INTRA.VDW.0>
1.26799

>  <SCORE.INTRA.norm>
-0.31428

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.24572

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000441

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  212.1047  194.6163  242.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4175  195.1946  242.6886 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5924  194.3419  242.2795 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.7637  195.2088  242.7096 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2016  196.6317  242.4068 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7776  196.4548  242.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3773  197.6281  243.4465 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8531  197.5797  244.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0699  196.6292  245.2597 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7166  196.9268  246.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0962  197.9877  247.2529 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9152  198.9020  246.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3037  198.7261  245.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0648  199.4882  244.4830 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0785  198.8121  243.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7944  199.3826  241.8711 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.5756  197.8877  241.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5043  197.1710  242.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0889  196.0015  241.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7668  195.5566  240.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8816  196.2829  239.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2917  197.4476  239.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4623  194.1031  239.6582 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.3136  199.9760  247.4666 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1665  194.9823  244.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4971  193.0364  242.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1938  192.2499  242.2535 P   0  0  1  0  0  0  0  0  0  0  0  0
  213.0415  190.8393  242.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9745  193.2544  242.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3678  192.3801  240.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0548  200.8594  247.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2499  199.8835  247.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4673  195.2413  244.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.1569  191.8901  240.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  1  0  0  0
  4  5  1  0  0  0  0
  4 25  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  1  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <CHROM.1>
-64.88231799,-62.18133225,-122.19736392,-45.43286854,-56.23078046,65.69255378
215.48826067,195.97056958,242.78378584,1.71745643,-0.63262831,-2.49956851

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446264/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.51243

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-4.88757

>  <SCORE.INTRA.DIHEDRAL>
-0.927867

>  <SCORE.INTRA.DIHEDRAL.0>
7.85205

>  <SCORE.INTRA.POLAR>
-0.96388

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14644

>  <SCORE.INTRA.VDW.0>
-3.26481

>  <SCORE.INTRA.norm>
-0.162919

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.150414

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  146.5346  255.3418  208.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  147.8499  256.0100  208.1068 C   0  0  1  0  0  0  0  0  0  0  0  0
  147.6127  257.4556  207.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  148.8675  258.2114  207.1860 C   0  0  1  0  0  0  0  0  0  0  0  0
  149.5023  257.6305  205.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  148.4096  259.9178  206.8565 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  148.9594  255.9669  209.5071 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
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0.29076323,2.53869037

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446265/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32726

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.0727369

>  <SCORE.INTRA.DIHEDRAL>
0.109971

>  <SCORE.INTRA.DIHEDRAL.0>
0.0212043

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.127723

>  <SCORE.INTRA.VDW.0>
-0.260882

>  <SCORE.INTRA.norm>
-0.010391

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.04675

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051197

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  188.8690  206.6724  247.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3660  206.9395  248.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6153  208.0659  249.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0596  205.6743  248.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6547  204.5892  248.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3483  203.3241  249.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9816  202.7503  250.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9079  207.3065  246.8299 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8671  207.4063  246.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
118.11106580,-175.91610067,8.44305973,190.94428860,205.75941522,248.64691863
2.04027589,0.59945697,-0.74621106

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446274/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.89945

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.0625687

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.862431

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002837

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  196.5898  197.8961  246.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8667  198.9468  245.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8372  199.8221  244.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9585  198.2059  244.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9857  199.7629  245.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5116  200.5388  246.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6927  200.6067  247.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4488  201.3566  247.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9805  202.5672  246.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7634  203.2557  247.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1004  203.6011  246.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5344  202.1035  245.4791 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7358  201.1451  245.5461 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3827  200.5847  244.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5040  199.4934  244.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1754  198.8013  243.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7243  199.1945  241.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5902  200.2868  241.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9186  200.9773  243.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
62.82697134,-1.76932344,-76.09771556,171.98123434,49.68820531,179.07000202
194.09325507,200.48676500,245.22907854,-0.81889359,0.51579004,-2.42765135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446275/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.51507

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.88493

>  <SCORE.INTRA.DIHEDRAL>
-1.69706

>  <SCORE.INTRA.DIHEDRAL.0>
5.53286

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.03641

>  <SCORE.INTRA.VDW.0>
1.53111

>  <SCORE.INTRA.norm>
-0.151839

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.448161

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001101

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  211.6282  192.5557  244.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1469  192.4197  244.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4508  193.7044  244.6352 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6598  194.3772  243.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1537  194.3950  242.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8501  193.0850  243.0332 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3968  192.1725  241.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1561  190.8614  241.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4833  190.8473  241.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1228  189.6304  241.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5118  188.4540  241.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2303  188.4269  242.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5452  189.6465  242.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3116  187.3735  241.4504 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4489  187.9943  240.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3806  189.4404  240.8215 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5468  194.2375  245.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9378  195.2824  245.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3589  193.4702  246.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4712  193.6657  247.8047 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7122  195.2585  248.3041 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.4129  195.8258  248.5862 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7618  195.2401  249.3034 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3892  196.1786  246.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9795  197.3418  246.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8312  197.7076  245.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8696  196.8160  245.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8206  195.5596  246.2447 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.3499  193.2478  247.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-64.92116252,-71.28384309,76.38587790,61.12756134,43.31623283,125.17284125
211.21063129,193.15003456,244.60881655,0.83709298,-0.89265705,-3.03156253

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446276/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.02006

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-4.37994

>  <SCORE.INTRA.DIHEDRAL>
-0.491759

>  <SCORE.INTRA.DIHEDRAL.0>
3.96921

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.13406

>  <SCORE.INTRA.VDW.0>
-2.37027

>  <SCORE.INTRA.norm>
-0.156426

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.250716

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000425

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  206.4360  210.0470  255.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4054  209.0304  254.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7758  209.2484  253.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1796  210.4810  253.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1953  211.5130  254.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8323  211.2806  255.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4969  212.8163  253.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1193  212.6313  253.4081 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3229  211.6542  253.9057 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2312  211.8216  253.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3918  212.8311  252.2108 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6028  213.3333  252.3862 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9908  211.0563  253.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8777  210.0389  254.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7154  209.2707  254.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6572  209.5194  253.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7379  210.5273  252.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9026  211.2963  252.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5458  208.7784  253.5215 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.5639  210.6610  251.9998 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
51.73006306,35.44149940,-0.24929819,202.14409428,210.87269877,253.49841287
-0.04937027,0.14105993,2.70589102

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446277/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.04283

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.357167

>  <SCORE.INTRA.DIHEDRAL>
0.00353629

>  <SCORE.INTRA.DIHEDRAL.0>
2.68509

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.358935

>  <SCORE.INTRA.VDW.0>
-1.17947

>  <SCORE.INTRA.norm>
-0.0178584

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.402142

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  196.3391  215.3586  250.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0213  216.4828  251.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6817  216.3653  251.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4507  215.0259  252.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1986  213.9809  251.5211 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3320  213.1938  251.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5928  214.0165  250.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9366  213.5105  251.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4415  212.4608  250.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0389  212.4774  250.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7107  213.5447  251.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8973  214.1641  251.9057 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4134  214.0153  251.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2178  215.0156  252.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3000  215.6142  253.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0774  214.9716  254.2826 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2654  216.9707  253.6138 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1082  217.6944  253.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1651  219.2239  254.2736 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.9787  217.0582  253.0360 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8891  215.6689  252.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8599  215.0184  252.7119 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9459  217.8590  252.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5902  217.5696  252.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6286  218.3887  252.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0152  219.4734  251.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3638  219.7392  251.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3155  218.9354  251.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6097  219.1721  251.3595 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.0328  217.4006  254.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-172.11465175,175.89157101,-140.84606775,190.43365392,216.12445249,252.16410751
-0.48324339,0.08009782,0.13505145

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446278/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.88597

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.289655

>  <SCORE.INTRA>
-3.51403

>  <SCORE.INTRA.DIHEDRAL>
-9.31073

>  <SCORE.INTRA.DIHEDRAL.0>
18.2518

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.14134

>  <SCORE.INTRA.VDW.0>
-2.35353

>  <SCORE.INTRA.norm>
-0.121173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.168482

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  197.0852  210.2009  253.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7132  208.7175  253.5979 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6583  208.1541  255.0597 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4592  208.7197  255.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7213  210.0428  256.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8777  209.9470  257.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5986  208.9199  258.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7662  208.7377  259.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4789  207.6152  260.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2104  207.7632  261.8355 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5493  206.3977  260.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6259  206.6082  255.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6833  206.0089  256.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8882  205.1937  256.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7631  206.4209  257.1542 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4726  208.5352  252.8416 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3673  205.6605  260.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7962  206.0885  258.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6879  209.0105  253.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2340  207.5506  252.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  6  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
69.72824730,-65.89445721,-87.81144941,175.41539218,-58.73474075,-61.28628924
176.27489934,-174.38254139,-107.29529967,179.94884882,127.19454286,176.61884118
196.72284956,207.95621370,257.01214246,-3.05363434,1.40247908,-3.04158165

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446279/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.86462

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.9625

>  <SCORE.INTRA>
-6.53538

>  <SCORE.INTRA.DIHEDRAL>
2.30508

>  <SCORE.INTRA.DIHEDRAL.0>
4.12735

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.28792

>  <SCORE.INTRA.VDW.0>
2.19093

>  <SCORE.INTRA.norm>
-0.408461

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.554039

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004895

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  225.6774  185.1093  251.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9448  185.5490  250.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4094  186.6250  249.9891 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.9886  184.5394  249.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3586  184.6954  247.9727 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.8545  184.9390  247.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5798  185.9347  246.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8816  186.7792  246.6624 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.9920  185.6841  246.9412 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.2562  184.7961  245.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4098  185.5982  244.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1758  186.4188  244.2002 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.8184  187.4787  245.2318 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.4612  188.8924  244.8624 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.7037  189.1960  243.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3492  188.3205  242.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1112  186.9156  242.7673 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.2655  186.2575  241.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6106  185.5253  240.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5720  186.5104  240.3220 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.0928  188.1512  240.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9355  188.9897  239.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3329  188.4335  239.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3830  186.3512  241.1009 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5758  186.8634  242.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2394  186.0439  239.0143 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9710  186.6065  238.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5467  189.1957  245.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.1211  189.5788  247.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9470  189.6231  247.3875 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.2353  189.8166  248.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3518  186.2753  247.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  1  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
179.56500704,-60.67262698,-74.79764134,161.13841822,2.35769455,224.31378552
186.92549896,244.70029263,1.00050725,1.28524256,2.23022083

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446280/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.73408

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-1.66592

>  <SCORE.INTRA.DIHEDRAL>
-1.69493

>  <SCORE.INTRA.DIHEDRAL.0>
4.85344

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.818453

>  <SCORE.INTRA.VDW.0>
5.2572

>  <SCORE.INTRA.norm>
-0.0520599

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.27294

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004313

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  222.9331  178.3074  245.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6817  177.1219  245.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7894  177.2222  244.3905 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1882  178.5525  244.2363 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0192  178.9398  242.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1453  178.3274  242.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7348  178.9116  241.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.4566  177.0559  242.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1041  175.7641  245.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7505  174.6374  244.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2180  173.3626  244.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0348  173.2086  245.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3853  174.3261  246.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9194  175.6016  246.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9013  176.7805  243.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
179.54822641,-109.67990027,-76.00481992,-139.58576084,-2.29619425,224.12599855
176.62810979,244.27710914,2.53948624,-0.79003275,-3.03260388

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446281/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.21701

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-3.18299

>  <SCORE.INTRA.DIHEDRAL>
-3.47163

>  <SCORE.INTRA.DIHEDRAL.0>
6.26822

>  <SCORE.INTRA.POLAR>
-0.582114

>  <SCORE.INTRA.POLAR.0>
-0.377811

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.532014

>  <SCORE.INTRA.VDW.0>
1.51485

>  <SCORE.INTRA.norm>
-0.227356

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.444072

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.106891

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  209.7488  180.5481  244.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7232  179.2216  245.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7555  178.9733  245.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5824  178.3106  245.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5343  178.0983  246.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7276  178.4512  247.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9284  179.0370  248.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9454  179.3527  247.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0011  180.0596  247.8268 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3609  179.7875  247.4717 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3056  180.8178  248.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6475  180.7009  247.6455 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6993  178.3545  247.9616 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.8630  177.2420  247.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9196  176.5957  248.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1222  175.5638  247.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2899  175.1333  246.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2627  175.7482  245.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0249  176.7986  246.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4427  175.2699  244.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5231  176.2042  243.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4992  174.0679  245.9367 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1649  172.8506  245.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1723  174.9191  248.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6285  174.3375  249.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0796  178.0649  247.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9068  179.3738  249.5808 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9750  178.8860  250.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1898  177.6596  245.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0467  176.2532  245.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9059  179.7623  247.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2601  177.1710  248.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7437  175.9062  245.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
100.09983969,92.13781438,127.23693182,-44.13959209,175.52200274,-171.87752760
61.40738473,-52.06677527,-109.01317381,178.27628209,-55.40085289,-113.95652667
133.61895105,-60.37152345,209.40157696,177.54348238,246.91257357,0.90456484
0.21034250,0.45226195

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446290/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.26113

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.546667

>  <SCORE.INTRA>
-10.1389

>  <SCORE.INTRA.DIHEDRAL>
6.14665

>  <SCORE.INTRA.DIHEDRAL.0>
15.8712

>  <SCORE.INTRA.POLAR>
0.0227571

>  <SCORE.INTRA.POLAR.0>
-0.78029

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-13.2896

>  <SCORE.INTRA.VDW.0>
7.97664

>  <SCORE.INTRA.norm>
-0.337962

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.208704

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  211.8629  193.3481  246.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9247  193.3714  247.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8184  194.3590  247.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9341  195.5848  246.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8548  196.5233  247.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9969  197.7933  246.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3295  198.0014  245.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2609  198.9175  246.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5929  197.0738  244.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9509  192.1633  248.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.66739968,-118.93536648,-110.68247322,214.54149670,195.68566922,246.69580078
2.82305155,0.91728227,1.61238890

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446291/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.06788

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-0.332115

>  <SCORE.INTRA.DIHEDRAL>
0.163686

>  <SCORE.INTRA.DIHEDRAL.0>
0.00209817

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.413958

>  <SCORE.INTRA.VDW.0>
-0.0489053

>  <SCORE.INTRA.norm>
-0.0332115

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.806788

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011506

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  195.2663  219.2070  260.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2501  218.2740  259.7321 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.2598  219.1046  258.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0440  218.9190  259.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6345  218.6065  261.6242 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.4052  217.5709  260.7834 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2567  216.4419  260.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2656  216.6326  261.8012 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2429  217.3062  262.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7885  217.6702  264.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3404  216.2026  263.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0146  217.5629  261.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1931  219.1176  261.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2359  219.8533  261.4374 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6103  219.7401  262.0016 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.6380  220.3920  263.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8787  220.9451  261.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8293  221.1406  261.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-52.33028579,192.13339620,218.49044414,261.50370100,0.16072134,0.57482154
-0.56867056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446292/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.90013

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.317647

>  <SCORE.INTRA>
-1.49987

>  <SCORE.INTRA.DIHEDRAL>
-3.78142

>  <SCORE.INTRA.DIHEDRAL.0>
4.35663

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.390837

>  <SCORE.INTRA.VDW.0>
0.250263

>  <SCORE.INTRA.norm>
-0.0882279

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.229419

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000684

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  185.7610  210.1890  257.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2554  211.5839  257.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0368  212.5951  256.8728 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6022  213.8565  257.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6730  214.1751  257.8376 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5103  214.7977  256.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6357  216.0955  256.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0815  216.8204  257.7771 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9058  218.1999  257.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3101  218.9463  258.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6474  218.6388  256.2804 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.5327  217.1408  255.6939 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.8065  219.3105  255.2592 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6668  219.8720  254.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8892  220.6167  253.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7975  219.7354  252.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9066  219.2066  253.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7270  218.4732  254.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9560  216.3259  259.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
179.79768542,2.92830585,-160.17786097,170.70752022,185.86531590,216.65107450
256.20199794,1.50716379,1.40726248,2.78633968

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446293/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.8779

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-5.5221

>  <SCORE.INTRA.DIHEDRAL>
-12.0568

>  <SCORE.INTRA.DIHEDRAL.0>
13.2054

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.506306

>  <SCORE.INTRA.VDW.0>
-0.147334

>  <SCORE.INTRA.norm>
-0.290637

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.2041

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000682

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  197.4224  200.4477  249.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9238  199.7025  247.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7365  198.3015  247.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1980  197.4676  246.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8478  198.0167  245.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0377  199.3971  245.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5858  200.2582  246.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9412  201.6979  246.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5084  202.5304  247.4264 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7902  202.0031  245.5783 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1701  203.3023  245.3825 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0194  203.5087  244.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5696  204.8493  244.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2034  205.9492  244.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7175  207.2095  244.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6800  207.3724  243.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0512  206.2378  242.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4793  204.9947  243.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9459  206.4134  241.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0350  205.5040  241.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1046  208.6603  243.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4961  208.9308  243.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3622  208.3377  245.3509 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8070  208.3792  246.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2286  201.2715  245.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-8.15952563,176.44727951,0.44295757,67.63990802,126.19843913,132.82047948
200.84222437,203.86159038,245.20976337,2.44438715,-0.88414457,-2.83284743

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446294/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.83893

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-3.56107

>  <SCORE.INTRA.DIHEDRAL>
1.92881

>  <SCORE.INTRA.DIHEDRAL.0>
8.47318

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.52548

>  <SCORE.INTRA.VDW.0>
6.40652

>  <SCORE.INTRA.norm>
-0.148378

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.326622

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  224.6879  188.9373  239.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9569  189.0494  240.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5193  190.4742  240.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7651  188.4932  241.6690 C   0  0  1  0  0  0  0  0  0  0  0  0
  227.0432  188.4452  242.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8952  187.5952  243.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7215  186.0598  243.6258 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.7253  185.2997  244.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4209  185.7430  242.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3092  185.1232  241.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8057  186.2735  243.6844 Br  0  0  0  0  0  0  0  0  0  0  0  0
  228.1687  185.4512  242.7060 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.4182  189.5965  242.6275 Br  0  0  0  0  0  0  0  0  0  0  0  0
  227.2926  187.8752  239.2963 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
174.06674330,-166.42566302,67.33946298,174.29777460,119.05053095,225.74007251
187.58383692,242.00827096,1.08040596,0.65543478,-0.73285139

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446295/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.92466

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-2.47534

>  <SCORE.INTRA.DIHEDRAL>
0.691388

>  <SCORE.INTRA.DIHEDRAL.0>
0.632334

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.82103

>  <SCORE.INTRA.VDW.0>
0.781323

>  <SCORE.INTRA.norm>
-0.17681

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.566047

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004550

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  199.5921  193.2260  246.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4051  193.9979  246.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0854  194.8313  245.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5055  196.0462  245.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1123  196.9733  244.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3029  196.6899  243.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8987  195.4830  242.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2789  194.5508  243.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0773  195.1973  241.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7072  196.0016  240.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6898  194.0069  241.2263 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9300  193.6198  239.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2399  194.2250  239.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2872  193.5948  239.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0839  195.5496  239.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2797  196.1979  238.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1342  193.4402  241.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-143.98340786,-0.16951198,85.43127853,103.42538965,179.05891140,198.84680225
194.97803432,242.32564451,-2.10010126,0.86172917,-1.17817594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446296/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.44142

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-1.95858

>  <SCORE.INTRA.DIHEDRAL>
-1.1181

>  <SCORE.INTRA.DIHEDRAL.0>
5.04363

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.39953

>  <SCORE.INTRA.VDW.0>
3.6377

>  <SCORE.INTRA.norm>
-0.122411

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.527589

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  197.2018  209.7185  254.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6354  209.2324  253.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9348  207.8828  252.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8107  207.0340  254.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3848  207.5085  255.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0625  208.8669  255.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5645  209.3987  256.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7139  208.7998  257.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4433  207.4662  257.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0483  206.3599  257.9483 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1903  209.4204  259.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5685  210.5473  259.2518 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4321  208.5676  260.6869 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.1066  205.7082  253.8704 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3500  207.3412  251.7414 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4330  210.9796  258.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8408  209.4144  261.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3718  205.6130  252.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3833  208.0461  251.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  3  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
-0.21804349,-0.02016022,-161.49515250,-0.34278824,-179.93644449,197.18105723
208.24358610,256.35271827,0.92612948,1.18394761,-1.16873488

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446297/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.49219

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-4.90781

>  <SCORE.INTRA.DIHEDRAL>
-14.1369

>  <SCORE.INTRA.DIHEDRAL.0>
15.4938

>  <SCORE.INTRA.POLAR>
-0.000105365

>  <SCORE.INTRA.POLAR.0>
-0.347866

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.16101

>  <SCORE.INTRA.VDW.0>
-0.604407

>  <SCORE.INTRA.norm>
-0.327188

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.232812

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  211.2893  190.8549  238.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8399  190.3355  239.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1014  189.1554  238.8827 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.3528  189.5100  239.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5486  187.8195  238.9836 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1824  189.5849  237.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4870  190.9396  237.0567 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.2878  192.0326  237.4982 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3900  192.3654  236.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2105  193.4675  237.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7117  193.0182  238.5925 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4317  194.0223  239.3038 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.1064  193.3933  240.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0524  193.2378  241.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9305  194.6047  241.4016 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.5827  194.0933  241.2521 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2492  195.6304  242.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5356  195.1435  239.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-173.92428977,-175.17817094,60.37633066,-176.99587319,-171.36537300,214.20533978
192.13378208,239.32787044,-2.63058714,1.04195916,1.48998516

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446298/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.97212

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-0.42788

>  <SCORE.INTRA.DIHEDRAL>
0.0709018

>  <SCORE.INTRA.DIHEDRAL.0>
0.687862

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.463331

>  <SCORE.INTRA.VDW.0>
-0.113402

>  <SCORE.INTRA.norm>
-0.0237711

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.554007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.036077

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  219.2779  189.9647  250.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3085  190.4574  248.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9764  190.8742  248.1891 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.3580  191.7797  247.0920 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7178  192.3283  247.1220 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.3469  191.9894  248.7839 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.1458  193.7007  246.7423 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.7634  192.9579  246.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6220  193.2024  246.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5983  194.1443  245.3653 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6894  194.2118  244.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9068  195.1461  244.1812 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7585  193.0741  243.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5114  191.7151  243.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5561  190.8459  244.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3850  189.5918  244.7232 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.1146  189.1714  244.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0063  189.9539  244.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2113  191.2423  244.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9743  191.2860  249.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1339  192.3735  249.8661 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1323  190.3246  249.5097 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.9779  189.3774  247.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4369  194.7140  245.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  1  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  6  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  1  22  -1
M  END
>  <CHROM.1>
73.83382404,110.94462778,79.37745402,60.13841325,-100.47390712,218.50035961
191.76177673,246.72214752,-0.79225226,1.55431283,-1.97103207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446299/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.04331

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-4.35669

>  <SCORE.INTRA.DIHEDRAL>
0.37402

>  <SCORE.INTRA.DIHEDRAL.0>
4.56015

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.5437

>  <SCORE.INTRA.VDW.0>
-2.10339

>  <SCORE.INTRA.norm>
-0.189421

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.262753

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000679

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  196.3581  215.0051  256.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4699  216.2364  257.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7051  216.8931  257.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8382  216.3275  256.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7066  215.1022  256.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4737  214.4417  256.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0989  217.0048  256.9424 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8815  217.0628  255.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3406  216.7219  254.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1199  216.7328  253.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4571  217.1066  253.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0115  217.4746  254.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2335  217.4477  255.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5323  217.6307  258.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2737  218.6181  258.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0367  217.0154  259.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7851  215.7000  259.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5331  214.5505  258.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3853  214.2266  257.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6054  214.8796  257.5265 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.5809  215.3473  257.4048 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4291  214.0020  258.9969 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
M  CHG  1  20   1
M  END
>  <CHROM.1>
-135.83868134,12.64366135,75.46484296,-65.45523414,99.02648201,67.26949386
200.28835536,216.15732982,256.92055409,2.52520368,0.16201254,1.86454833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446300/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64146

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-4.75854

>  <SCORE.INTRA.DIHEDRAL>
-4.20332

>  <SCORE.INTRA.DIHEDRAL.0>
14.4205

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.65688

>  <SCORE.INTRA.VDW.0>
-1.12808

>  <SCORE.INTRA.norm>
-0.216297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.301885

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000824

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  217.2476  181.6834  245.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6104  181.6410  245.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5192  181.2474  244.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0677  180.8627  243.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6935  180.9336  242.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7906  181.3441  243.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0135  180.4088  242.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2952  180.1962  242.1958 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8337  180.3490  243.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0689  179.1344  244.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5154  179.1116  245.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7923  178.0521  243.3115 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9106  176.6939  243.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6410  175.7605  242.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7995  174.3941  242.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1969  173.9532  244.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4229  174.8759  245.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2816  176.2416  244.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4979  180.0972  240.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0713  179.8239  239.7996 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5548  178.3236  242.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  3  0  0  0  0
M  END
>  <CHROM.1>
5.00755130,101.90559770,-178.75142871,-176.49260781,220.50804161,178.85265822
243.49181687,-2.95436646,0.97704869,-1.88213973

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446301/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19008

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-2.20992

>  <SCORE.INTRA.DIHEDRAL>
-5.52593

>  <SCORE.INTRA.DIHEDRAL.0>
5.74426

>  <SCORE.INTRA.POLAR>
0.107663

>  <SCORE.INTRA.POLAR.0>
-0.25178

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.186993

>  <SCORE.INTRA.VDW.0>
-0.370588

>  <SCORE.INTRA.norm>
-0.110496

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.359504

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002399

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  193.2694  210.2598  264.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1349  211.1110  263.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6426  211.3224  263.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7692  212.4974  263.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1117  210.2699  261.7952 Si  0  0  0  0  0  0  0  0  0  0  0  0
  195.4981  210.0473  262.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4176  208.4623  261.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9273  208.5201  260.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2145  207.9450  260.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6133  207.4429  262.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1770  211.3187  260.4951 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2217  211.8499  259.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8567  211.5788  259.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9441  212.2141  258.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3996  213.1118  257.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7686  213.3518  257.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6769  212.7212  258.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3263  213.9592  256.8926 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.2677  211.8481  259.1277 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-53.71422817,58.41627403,-65.73382617,-0.09220485,192.30669620,211.26108796
260.33863246,-0.05191056,-1.10620544,0.58899921

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446302/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.87945

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.520547

>  <SCORE.INTRA.DIHEDRAL>
-0.386343

>  <SCORE.INTRA.DIHEDRAL.0>
0.589392

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.327376

>  <SCORE.INTRA.VDW.0>
-2.86194

>  <SCORE.INTRA.norm>
-0.0289193

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.493303

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000735

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  217.0134  179.6328  243.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2287  179.4994  242.3909 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2078  178.6861  241.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2232  178.7048  240.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2261  179.5681  240.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5709  180.0849  241.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5305  180.9816  241.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2260  181.3143  239.8600 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9325  180.7542  238.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9236  179.8758  238.9517 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4520  181.1994  237.2889 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.6425  181.8229  242.4128 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.9348  182.5432  243.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0790  183.2339  242.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8070  183.6403  244.0511 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0893  183.2715  245.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9325  182.6417  244.7064 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9277  182.2564  245.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5699  183.5722  241.6205 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.8482  183.2965  240.6553 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6876  184.0997  241.5451 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <CHROM.1>
52.67492321,44.90567416,216.49051243,181.50062907,241.57780540,-1.33228409
1.35415489,-2.16801042

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446303/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.28063

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-1.11937

>  <SCORE.INTRA.DIHEDRAL>
-1.39559

>  <SCORE.INTRA.DIHEDRAL.0>
5.21361

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.421575

>  <SCORE.INTRA.VDW.0>
-1.60015

>  <SCORE.INTRA.norm>
-0.0533033

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.299078

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000313

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  214.7283  182.7927  244.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3540  183.9726  243.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6993  183.9744  242.2957 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2454  185.1596  241.8282 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5553  185.8543  242.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6482  185.1583  243.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1207  185.6073  245.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5159  186.7443  245.2961 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0235  187.0890  246.5211 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3090  188.2708  246.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0575  189.0465  245.7335 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7936  188.5680  248.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0512  189.7364  248.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5445  190.0704  249.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7716  189.2540  250.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5379  188.0878  250.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0467  187.7459  249.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2069  189.5934  251.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4357  190.9336  252.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2273  188.4863  252.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3518  189.6954  252.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7870  187.3292  242.4022 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.5664  185.5487  240.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3686  186.8314  240.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9136  187.9466  239.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6325  189.1440  239.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8061  189.2276  240.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2890  188.1297  241.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5762  186.9308  241.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4780  190.3856  240.5148 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.0823  186.4284  247.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-119.11016371,179.62910956,-177.04657904,-179.08893557,-2.61552765,-123.13491517
212.83625204,187.60023231,245.17400746,0.23478443,-1.02409962,-3.09346762

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446304/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1262

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-1.27382

>  <SCORE.INTRA.DIHEDRAL>
-3.04327

>  <SCORE.INTRA.DIHEDRAL.0>
6.9181

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.247812

>  <SCORE.INTRA.VDW.0>
-0.0112393

>  <SCORE.INTRA.norm>
-0.0424607

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.337539

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000160

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  208.5143  184.3257  250.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8905  184.0990  251.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6908  185.2077  251.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6325  185.2373  252.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5306  186.3041  252.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5007  187.3474  251.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5739  187.3073  250.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6663  186.2408  250.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4997  188.4460  251.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3332  188.4190  252.5646 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4129  189.5777  250.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3292  190.5643  250.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1665  191.6588  249.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0476  191.4568  248.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1680  190.1224  247.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5382  189.8317  246.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0604  189.0828  248.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6724  187.7445  248.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4486  186.7072  248.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6328  186.9879  249.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0308  188.3145  249.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2524  189.3611  248.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2929  185.8936  249.7467 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6637  185.9532  251.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2412  192.9257  250.2241 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1171  193.1605  251.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7043  192.0425  251.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3977  190.7280  251.5280 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6677  192.2795  252.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9384  193.5914  253.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2547  194.6189  252.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3675  194.4386  251.6624 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0929  193.7578  249.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4353  190.0157  252.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 32  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
138.42181071,0.81066887,-173.43829622,147.93589694,148.23719326,-129.15188709
214.21138212,188.99802816,250.55161887,2.18163145,-0.46181259,-2.78625841

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446305/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4398

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-0.960192

>  <SCORE.INTRA.DIHEDRAL>
5.32018

>  <SCORE.INTRA.DIHEDRAL.0>
6.63473

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.62028

>  <SCORE.INTRA.VDW.0>
3.26481

>  <SCORE.INTRA.norm>
-0.030006

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.326244

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  205.2117  218.1072  249.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2138  218.9342  250.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9085  218.8418  249.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5937  217.8882  248.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5946  217.0747  248.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9241  217.1549  248.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9504  216.2190  248.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2896  216.2765  248.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2715  215.4461  248.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9292  214.5187  247.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6149  214.4559  246.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6360  215.2819  247.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9503  213.7439  246.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6897  212.4284  246.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7562  211.6389  247.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5334  210.3202  246.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2408  209.7729  245.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2606  210.5339  245.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4697  211.8627  245.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0907  208.4188  245.3648 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9831  219.6929  250.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9798  220.1862  249.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1763  220.5623  248.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0957  220.9884  247.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8137  221.0598  248.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6537  220.8135  249.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7259  220.3563  250.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7608  221.5913  247.4169 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5711  208.2581  244.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.9633  207.8987  245.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0821  220.8940  247.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3193  222.3979  247.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
>  <CHROM.1>
145.12233066,-3.36633325,143.14857084,-31.51091200,108.59548351,-38.33578796
109.70027194,204.70447527,216.20587339,247.98818464,-2.33936316,0.33917893
-2.52826394

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446322/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.404

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-0.995951

>  <SCORE.INTRA.DIHEDRAL>
-2.19776

>  <SCORE.INTRA.DIHEDRAL.0>
9.43973

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.10293

>  <SCORE.INTRA.VDW.0>
-0.354294

>  <SCORE.INTRA.norm>
-0.0355697

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.407287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004321

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  196.4378  226.1658  255.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2170  225.3274  255.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0619  226.2072  256.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8439  225.3619  256.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7190  226.2420  256.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5246  225.4226  257.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1024  225.3095  258.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9114  224.4894  259.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3038  223.2454  259.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0265  223.0558  261.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4289  221.8170  261.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6507  222.0346  262.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8091  221.3933  262.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0307  221.6005  263.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1028  222.3403  262.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5507  223.5473  262.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6373  224.2781  262.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1170  225.5584  261.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0639  225.2913  260.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5282  226.5854  259.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3654  226.9728  260.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4677  227.2256  259.1191 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0241  228.4845  258.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1003  229.1707  257.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2676  229.4077  258.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9180  229.8397  257.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-178.95669551,177.07352843,-179.21449359,114.12046974,108.65014615,111.76120294
101.14362824,-115.89067735,-109.71454972,116.87434117,114.24718577,-63.50173922
176.56808743,-114.14223991,-179.01875130,-179.85423784,-59.03700725,179.65397568
192.97275859,225.15815113,259.52500855,-1.01025220,0.38695646,2.16734374

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446323/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.2591

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.896

>  <SCORE.INTRA>
-6.14088

>  <SCORE.INTRA.DIHEDRAL>
-4.17639

>  <SCORE.INTRA.DIHEDRAL.0>
7.079

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.05269

>  <SCORE.INTRA.VDW.0>
-0.164826

>  <SCORE.INTRA.norm>
-0.245635

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.650365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.058022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  213.3508  199.5640  243.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9922  201.0451  243.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0650  201.2937  243.8165 Ge  0  0  0  0  0  0  0  0  0  0  0  0
  210.4584  200.5517  242.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1447  201.2372  240.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1071  200.3221  245.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4682  200.7717  246.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6693  203.2219  243.8093 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1571  203.4611  243.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8491  203.7787  245.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9158  203.9579  245.7785 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9850  203.7234  245.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4833  203.9172  245.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  3  1  1  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-60.33811647,-60.02274229,60.22998635,-179.10783156,210.66284478,201.86269914
244.18173733,-0.42423101,-0.82774793,1.61609727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446324/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.20437

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-0.195631

>  <SCORE.INTRA.DIHEDRAL>
-0.266408

>  <SCORE.INTRA.DIHEDRAL.0>
0.378024

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0624269

>  <SCORE.INTRA.VDW.0>
-2.3817

>  <SCORE.INTRA.norm>
-0.0150485

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.708028

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020333

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  209.5189  194.1645  244.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2392  194.7912  244.6454 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5043  194.5691  243.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0783  195.7283  242.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3138  195.6117  241.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0670  194.3358  241.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4426  193.8196  239.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8215  194.3723  238.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3462  193.5059  237.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4765  192.1193  237.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0802  191.5504  239.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5497  192.4355  240.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1795  192.0758  241.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5083  193.2261  241.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2013  193.2895  243.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2418  197.0040  243.3897 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6949  196.9362  244.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6678  197.6895  242.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 15  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-124.16466263,0.95528186,206.41857936,193.94487997,241.42940531,-0.49953309
0.97669850,-2.97609099

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446325/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.46632

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.933685

>  <SCORE.INTRA.DIHEDRAL>
2.49357

>  <SCORE.INTRA.DIHEDRAL.0>
1.24708

>  <SCORE.INTRA.POLAR>
-0.0763975

>  <SCORE.INTRA.POLAR.0>
-0.0433163

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.92072

>  <SCORE.INTRA.VDW.0>
2.40586

>  <SCORE.INTRA.norm>
-0.0583553

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.404145

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000510

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  197.4422  203.5139  251.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8673  203.2417  252.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6490  201.8004  253.0548 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.0691  201.2577  252.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4066  201.3182  254.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9105  201.3739  254.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1894  201.3545  253.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9962  199.8320  252.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0455  199.2310  251.6391 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1920  199.2915  250.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1669  199.9424  251.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0619  198.5487  249.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0105  198.6801  248.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7984  198.0226  247.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6600  197.2472  247.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7133  197.1271  248.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9089  197.7745  249.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4313  196.5349  245.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1745  199.5024  248.7260 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4415  198.9498  248.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5237  199.6644  248.8674 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4160  201.0532  248.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5894  201.8172  248.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5343  203.2098  248.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3016  203.8546  248.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1230  203.1051  248.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1909  201.7094  248.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9735  200.8792  248.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8716  201.4312  248.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6321  197.4495  248.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
48.54216477,-62.32170618,158.71467988,-82.88512005,63.29729350,-7.44671471
167.21529427,111.32818061,198.55304167,200.27462963,249.95938669,1.13237472
0.60809130,0.91269621

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446326/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.17255

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-9.22745

>  <SCORE.INTRA.DIHEDRAL>
-15.0332

>  <SCORE.INTRA.DIHEDRAL.0>
29.9153

>  <SCORE.INTRA.POLAR>
-0.429649

>  <SCORE.INTRA.POLAR.0>
-1.07013

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.250057

>  <SCORE.INTRA.VDW.0>
-0.23864

>  <SCORE.INTRA.norm>
-0.318188

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.143881

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000348

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  183.3451  225.0140  253.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2491  223.9734  253.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9665  223.7560  252.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.9384  222.7810  251.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6752  222.5868  250.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
179.97810980,179.97377509,181.84314002,223.63061810,252.36793843,-0.69319426
-0.76167767,-1.53268161

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446327/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.4

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
2.87528e-06

>  <SCORE.INTRA.DIHEDRAL>
5.71417e-06

>  <SCORE.INTRA.DIHEDRAL.0>
4.43866e-08

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.82019e-08

>  <SCORE.INTRA.VDW.0>
-0.239643

>  <SCORE.INTRA.norm>
5.75057e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.48

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.073723

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  219.8804  189.4756  244.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4781  189.9305  245.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3984  190.4199  246.5333 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3350  191.4349  246.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6855  192.8467  246.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2850  189.3054  247.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8387  189.6441  248.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5101  190.3595  248.8055 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.2335  191.0761  247.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
151.66160592,-77.18368939,153.07124767,-49.87986851,36.91207231,218.93799062
190.43393888,247.08363740,-2.34264924,-0.80230426,1.22922324

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446328/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.65308

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.3

>  <SCORE.INTRA>
-2.74692

>  <SCORE.INTRA.DIHEDRAL>
2.99105

>  <SCORE.INTRA.DIHEDRAL.0>
0.467414

>  <SCORE.INTRA.POLAR>
-0.269296

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.32684

>  <SCORE.INTRA.VDW.0>
3.04331

>  <SCORE.INTRA.norm>
-0.343365

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.956635

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  205.1108  197.3147  248.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1834  197.4623  246.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3300  198.3538  245.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3849  199.1032  246.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3463  198.9643  248.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1968  198.0686  248.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5002  200.0800  245.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2249  199.5046  245.5529 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7417  199.1536  246.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4071  198.6960  244.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
92.51163368,57.65704856,203.58024185,198.62988283,246.92707493,-0.52019721
0.58035115,-1.55292140

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446329/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.09557

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-0.304428

>  <SCORE.INTRA.DIHEDRAL>
-0.141841

>  <SCORE.INTRA.DIHEDRAL.0>
0.807179

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.233507

>  <SCORE.INTRA.VDW.0>
-0.322693

>  <SCORE.INTRA.norm>
-0.0380534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.886947

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046889

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 17  0  0  0  0  0  0  0  0999 V2000
  216.7969  191.5978  255.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1055  191.0135  254.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8944  191.7931  253.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2525  191.2526  252.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8109  189.9204  252.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0166  189.1579  253.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6565  189.6913  254.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1161  189.3313  250.9782 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.8113  189.2675  249.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5936  187.9898  250.4274 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.5580  187.0147  249.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8371  185.8130  249.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5863  185.2344  248.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6308  186.1205  249.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2098  187.2045  249.9547 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  1  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
60.51163148,174.76134117,214.44458373,188.82537357,251.61061356,0.26560167
1.10938546,2.07650337

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446330/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.99666

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.403339

>  <SCORE.INTRA.DIHEDRAL>
-0.650272

>  <SCORE.INTRA.DIHEDRAL.0>
1.92786

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0782033

>  <SCORE.INTRA.VDW.0>
-0.975615

>  <SCORE.INTRA.norm>
-0.0268893

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.466444

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002922

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  195.7253  202.1651  245.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7872  203.2009  244.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0094  202.5909  243.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9839  201.5245  243.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9767  202.0538  244.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6238  202.6267  246.0704 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.7209  203.6872  245.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5895  204.8768  246.1918 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3183  205.9093  245.6961 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6325  207.0266  246.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4728  206.9187  247.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6013  207.9727  248.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9016  209.1623  248.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0899  209.3116  247.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9559  208.2494  246.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0106  210.2516  249.3797 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.7259  210.0564  250.3701 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3734  211.2928  249.1612 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.2793  205.7123  247.9096 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.2560  204.8057  247.0554 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9603  205.6660  248.9444 O   0  5  0  0  0  0  0  0  0  0  0  0
  193.1359  201.5245  246.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5626  203.2508  246.8081 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7334  204.2615  244.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0083  206.2284  244.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2360  203.9869  246.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  1  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 23 26  1  0  0  0  0
M  CHG  4  16   1  18  -1  19   1  21  -1
M  END
>  <CHROM.1>
-63.97565246,-154.60149220,65.33103275,194.48669790,205.57885458,246.73883490
-1.77621623,-0.26442534,0.44914858

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446331/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.93121

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-1.46879

>  <SCORE.INTRA.DIHEDRAL>
-2.53487

>  <SCORE.INTRA.DIHEDRAL.0>
3.3805

>  <SCORE.INTRA.POLAR>
0.0610102

>  <SCORE.INTRA.POLAR.0>
-0.0610102

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.408788

>  <SCORE.INTRA.VDW.0>
-1.03282

>  <SCORE.INTRA.norm>
-0.0611996

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.247134

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  206.9729  197.8701  247.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1120  198.8442  247.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8438  199.0895  246.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2533  199.4268  248.3841 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3101  200.3945  248.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7832  201.6838  249.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9764  202.4835  248.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8309  201.7024  247.7705 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1057  202.4320  246.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6178  201.4624  245.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8025  200.7988  244.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3299  199.7244  243.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4742  198.9883  243.4515 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6212  199.1846  249.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2034  201.5135  248.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.0918  198.7230  244.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.0185  199.5995  242.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
128.75349542,-70.84135615,60.40966837,-176.47868997,142.13680159,-63.43238583
174.16516947,-172.50490144,47.29812521,207.49783450,200.35313970,246.70691071
-2.09956405,-0.93752915,0.75156143

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446332/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8077

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.10769

>  <SCORE.INTRA>
-3.59231

>  <SCORE.INTRA.DIHEDRAL>
2.69464

>  <SCORE.INTRA.DIHEDRAL.0>
1.20364

>  <SCORE.INTRA.POLAR>
-0.985174

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.59003

>  <SCORE.INTRA.VDW.0>
-1.05568

>  <SCORE.INTRA.norm>
-0.276331

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.831361

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010982

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  196.4791  213.2634  240.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0400  212.6564  242.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9848  212.9286  242.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0056  211.8361  242.6121 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8941  211.1273  243.8491 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7900  210.1040  244.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0845  209.6356  245.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6195  209.4867  245.5210 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.1639  210.4183  244.3698 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.1317  211.5009  244.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2518  210.9662  245.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8429  209.7914  246.5975 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3129  209.7113  246.9030 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.9331  208.5964  247.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9663  208.3311  249.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3312  208.2549  248.4301 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.7571  209.6525  247.8395 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2809  209.6805  247.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7650  208.3089  246.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6354  207.4179  248.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5570  206.6285  248.5937 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9525  206.1499  249.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6591  206.6886  249.9615 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4968  207.4752  248.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5484  210.8259  248.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8715  209.5388  243.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  6  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
178.78714708,62.06322929,199.25557046,209.68044959,246.14179960,-2.21977665
-0.04413100,2.16059619

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446333/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.47484

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.925155

>  <SCORE.INTRA.DIHEDRAL>
-1.255

>  <SCORE.INTRA.DIHEDRAL.0>
1.49665

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.297656

>  <SCORE.INTRA.VDW.0>
-0.367238

>  <SCORE.INTRA.norm>
-0.0355829

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.249032

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  221.9276  178.6972  236.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4874  178.2168  237.6868 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6206  179.1019  238.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0613  180.2384  238.5831 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0976  178.5369  240.0313 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.3643  179.4636  241.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4085  180.6156  241.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2612  180.6809  240.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8019  179.5570  239.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5827  178.2444  239.9104 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.0047  177.5026  241.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1371  177.9506  241.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5204  176.2465  241.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9924  175.5097  242.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3646  181.8269  240.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1650  181.7832  240.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1146  182.8461  240.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7203  183.4595  241.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7911  184.3598  242.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9862  183.5973  242.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9097  183.0053  241.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
1.07183944,174.29194160,-172.98852112,117.62830329,-179.29113271,219.27709240
180.00848019,240.41291203,-0.72375751,0.76647335,-0.32323499

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446334/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.40078

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-3.99922

>  <SCORE.INTRA.DIHEDRAL>
-11.8328

>  <SCORE.INTRA.DIHEDRAL.0>
13.2836

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.91717

>  <SCORE.INTRA.VDW.0>
3.78388

>  <SCORE.INTRA.norm>
-0.190439

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.304799

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008927

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  200.0299  206.3657  256.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6061  204.9724  256.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9609  204.0345  255.8092 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8450  204.7808  256.8870 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6098  205.8504  257.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4167  203.4234  256.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7871  203.0262  255.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1048  202.6854  254.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4751  202.2882  252.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6019  203.0579  251.8186 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.1289  202.7376  252.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8339  204.5598  251.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9889  202.6331  250.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
68.20735174,-129.81563903,44.55432786,-60.41118463,202.00006049,203.90540139
254.45602185,1.87073938,-0.59653327,1.33459933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446335/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.23499

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-0.165009

>  <SCORE.INTRA.DIHEDRAL>
-0.00579013

>  <SCORE.INTRA.DIHEDRAL.0>
1.20619

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.162114

>  <SCORE.INTRA.VDW.0>
0.283786

>  <SCORE.INTRA.norm>
-0.012693

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.710384

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  218.2171  195.2217  253.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1608  194.1405  253.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9559  194.3671  252.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8604  193.3083  252.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3158  193.2975  254.0577 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6636  192.3586  255.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5039  191.2591  254.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7089  190.4426  256.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0741  190.7268  257.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2272  191.8297  257.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0298  192.6587  256.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1919  193.8601  256.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4176  194.5074  256.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4390  195.6239  256.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9912  195.9534  255.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0127  196.1500  257.8828 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2231  197.3583  257.9676 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6990  197.5781  259.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1413  196.8267  260.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0424  195.7975  260.2142 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3897  195.5090  259.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4223  194.1857  258.6347 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.7442  196.9475  261.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6913  198.6710  259.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0612  198.9271  260.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5000  199.2546  258.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5796  200.3553  258.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5579  200.9297  256.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9420  202.1707  256.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0773  198.5412  257.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1335  199.0265  258.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8590  200.1472  257.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5537  200.7995  256.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5289  200.2906  255.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8014  199.1684  256.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4382  202.3086  256.3377 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.2892  203.5807  256.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4184  194.2536  254.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9952  195.2247  253.9788 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 38  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <CHROM.1>
-179.16751866,61.06696935,-101.54268789,-71.25325768,173.45862132,-177.56486318
176.42350219,-116.67442615,-96.06645685,212.20772155,196.66869426,256.88155789
-0.70506001,0.77338429,-0.28963787

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446336/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.9593

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.369231

>  <SCORE.INTRA>
-3.44068

>  <SCORE.INTRA.DIHEDRAL>
-5.894

>  <SCORE.INTRA.DIHEDRAL.0>
11.3138

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.493678

>  <SCORE.INTRA.VDW.0>
-2.2567

>  <SCORE.INTRA.norm>
-0.0882225

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.281008

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001365

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  186.7159  208.3281  256.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2897  208.0422  256.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9567  208.9214  257.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2500  208.2707  255.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3116  207.2695  254.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9547  205.8108  254.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8385  205.0490  255.6875 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.2468  203.6050  255.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3894  204.9152  255.3418 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.1430  204.3654  256.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3561  203.6320  256.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8231  203.0021  254.8037 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.1509  204.1832  254.0837 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.4937  203.5804  252.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5051  202.6922  251.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2546  201.5532  252.7069 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.8593  202.2168  253.9977 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.4654  201.1655  254.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6684  200.5659  254.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1604  199.7753  253.0749 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.3913  200.6187  251.9491 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8909  199.4400  251.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8356  198.5696  250.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6331  197.7929  251.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2444  198.7902  252.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2664  201.4861  251.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2121  205.2256  253.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  6  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  6  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
68.56106914,66.00098386,-61.62951606,-177.28004205,170.02787183,187.58168216
203.35046176,254.07151977,-2.27593145,0.68167732,-2.17809433

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446337/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19821

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-4.20179

>  <SCORE.INTRA.DIHEDRAL>
-1.74736

>  <SCORE.INTRA.DIHEDRAL.0>
2.92379

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.32811

>  <SCORE.INTRA.VDW.0>
1.78609

>  <SCORE.INTRA.norm>
-0.155622

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.229563

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012875

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  217.9815  180.2969  241.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2530  180.8642  241.8589 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.9205  182.3488  241.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8500  182.6543  241.1054 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3000  181.4687  240.7139 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2267  181.3857  239.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8008  180.2938  239.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7519  182.6266  239.4445 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6221  182.8666  238.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3000  184.1799  238.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1802  184.4207  237.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3704  183.3635  237.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6757  182.0606  237.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7918  181.8245  238.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9930  183.6497  236.0505 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.7774  183.3878  242.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9248  183.0518  243.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6838  184.0602  243.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3128  185.4095  243.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1687  185.7362  242.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3976  184.7298  242.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1119  186.4801  244.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0929  187.2387  243.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3494  186.6945  243.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2634  187.4075  242.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9297  188.6674  241.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6858  189.2204  242.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7740  188.5124  242.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4952  180.4831  241.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4343  179.5927  241.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5736  179.2273  240.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7808  179.7451  239.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8531  180.6154  239.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7165  180.9813  239.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1876  179.3053  238.7287 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.3558  183.3905  239.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  6  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-111.20143895,-2.11951949,-176.92468760,100.25481683,-80.83165763,219.09217801
183.10312211,240.47657768,-2.81752946,-0.35124242,0.30419061

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446346/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.91398

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297143

>  <SCORE.INTRA>
-1.48602

>  <SCORE.INTRA.DIHEDRAL>
-3.22169

>  <SCORE.INTRA.DIHEDRAL.0>
5.37846

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.124821

>  <SCORE.INTRA.VDW.0>
-2.45613

>  <SCORE.INTRA.norm>
-0.0424578

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.254685

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  206.3730  210.2152  241.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3613  208.6818  241.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0526  207.9235  241.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9160  208.7858  242.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9149  210.1069  242.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1252  210.9508  242.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5589  210.6393  242.6763 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.7596  209.4326  242.7249 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5496  208.3103  242.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2712  207.1264  242.4647 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3842  209.4038  243.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7251  210.5359  243.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3876  210.5062  244.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6717  209.3224  243.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2832  208.1842  243.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6206  208.2295  243.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0367  209.2622  244.4514 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.3708  211.6976  243.8067 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.0318  211.6883  241.3439 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  6  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-7.33577908,201.34595086,209.68859388,242.80349343,0.04013585,0.28104693
-0.07394375

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446347/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33347

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-0.0665258

>  <SCORE.INTRA.DIHEDRAL>
0.272461

>  <SCORE.INTRA.DIHEDRAL.0>
0.152402

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.202756

>  <SCORE.INTRA.VDW.0>
-0.0608385

>  <SCORE.INTRA.norm>
-0.00350136

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.333341

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000858

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 59 62  0  0  0  0  0  0  0  0999 V2000
  207.9262  193.4896  245.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0898  195.0247  245.0763 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.5913  195.4317  243.6807 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.4382  195.3405  242.6694 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.2238  196.1412  243.1577 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7883  195.6224  244.5507 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.9047  195.7640  245.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6868  196.3548  245.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4015  196.3645  244.4414 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.6946  195.0068  244.2065 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.6774  194.2195  245.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9427  194.8040  246.5168 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2638  196.3332  246.7025 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4355  197.1196  245.3822 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.1712  197.3265  244.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3152  196.9957  247.5453 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5117  194.4940  246.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2160  193.0704  246.6752 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7179  192.6896  246.9557 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.7846  193.3223  246.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0523  193.1265  244.6585 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5639  192.9487  244.2762 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.4941  192.3641  245.3544 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.3581  190.9458  245.4891 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7813  192.2481  243.0453 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1571  192.1547  244.0405 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9649  192.7569  243.4551 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.3967  191.9945  242.2255 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.8703  190.6996  242.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7333  190.8008  243.4139 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0736  191.5460  244.7191 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8293  192.8715  244.4897 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.9084  193.8906  244.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8473  191.8248  245.4185 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6374  191.4080  242.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3947  191.7713  241.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4661  190.9449  241.5751 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2695  192.9092  248.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8938  192.5185  248.5477 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2751  194.2125  243.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5824  192.9704  242.8971 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5987  197.5337  243.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8941  195.8101  241.3975 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6859  194.5989  243.2837 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1809  192.8266  245.0822 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5911  197.7745  245.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3618  196.5759  248.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.0331  190.6718  246.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7459  192.2850  242.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4105  194.7278  244.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4003  192.5075  244.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8610  192.3569  242.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9327  191.4932  242.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6723  192.6739  249.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0093  192.5218  242.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8275  197.8001  242.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1392  195.7046  240.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4598  194.8472  243.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5535  193.0516  244.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 45  1  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 44  1  6  0  0  0
  4  5  1  0  0  0  0
  4 43  1  6  0  0  0
  5  6  1  0  0  0  0
  5 42  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  6  0  0  0
 13 14  1  0  0  0  0
 13 16  1  6  0  0  0
 14 15  1  6  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 18 17  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  1  0  0  0
 22 23  1  0  0  0  0
 22 25  1  6  0  0  0
 23 24  1  1  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 27 26  1  1  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 36  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  6  0  0  0
 31 32  1  0  0  0  0
 31 34  1  6  0  0  0
 32 33  1  6  0  0  0
 33 50  1  0  0  0  0
 34 51  1  0  0  0  0
 35 52  1  0  0  0  0
 36 37  1  0  0  0  0
 37 53  1  0  0  0  0
 38 39  1  0  0  0  0
 39 54  1  0  0  0  0
 40 41  1  0  0  0  0
 41 55  1  0  0  0  0
 42 56  1  0  0  0  0
 43 57  1  0  0  0  0
 44 58  1  0  0  0  0
 45 59  1  0  0  0  0
M  END
>  <CHROM.1>
65.82501867,-60.78561042,-71.48264889,178.08467349,61.83912422,62.68948354
58.57058160,179.06511824,62.86717600,61.85160962,177.82675477,169.15663297
-179.51724609,91.90586339,174.25233034,-61.92926249,149.78559388,62.89265040
-75.16215370,-70.37592906,-61.27937487,-66.93115381,179.59517619,-179.31019811
200.94094225,193.82528684,244.53163852,-0.11219662,-0.25282370,-2.00772162

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446348/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-11.3452

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.342222

>  <SCORE.INTRA>
-26.7452

>  <SCORE.INTRA.DIHEDRAL>
-35.8961

>  <SCORE.INTRA.DIHEDRAL.0>
48.9131

>  <SCORE.INTRA.POLAR>
-1.78363

>  <SCORE.INTRA.POLAR.0>
-1.66784

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.73284

>  <SCORE.INTRA.VDW.0>
-3.22653

>  <SCORE.INTRA.norm>
-0.594338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
-0.252116

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001511

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  197.5900  196.5518  250.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9255  196.0125  250.4188 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8992  195.8195  248.8744 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.9966  194.3418  248.3426 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.4142  193.3629  249.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5312  193.7049  250.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3067  194.9187  251.2466 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6343  191.9114  249.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1086  191.1360  249.9699 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2175  191.5715  247.9080 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4099  190.1909  247.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8278  194.2163  247.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3043  194.4145  247.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9600  195.3679  246.8876 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7999  193.3636  248.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1933  193.4622  248.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8988  196.8135  248.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5578  197.7687  247.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  6  0  0  0
  4  5  1  0  0  0  0
  4 12  1  6  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-120.58643552,71.83117237,171.87076684,179.31924421,-112.19662568,-179.65163185
199.95281705,194.11796391,248.75965024,1.91371007,0.83024718,-0.07453783

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446349/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.87185

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-1.52815

>  <SCORE.INTRA.DIHEDRAL>
-2.41829

>  <SCORE.INTRA.DIHEDRAL.0>
4.94692

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.319009

>  <SCORE.INTRA.VDW.0>
2.11346

>  <SCORE.INTRA.norm>
-0.0848974

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.548436

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006663

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  196.1401  209.8942  247.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1608  209.5101  247.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9728  210.4770  248.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6861  211.8075  248.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7011  212.2147  247.4619 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9535  211.2442  246.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1238  210.1620  249.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4169  209.7492  248.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8090  208.3940  248.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9497  208.0085  248.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6519  208.9804  247.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3113  210.3299  247.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1764  210.6990  248.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7026  208.4301  246.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6998  207.0821  247.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6329  206.7922  247.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6798  206.0892  246.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5980  206.5375  245.7788 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5202  204.8799  246.8930 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1  19  -1
M  END
>  <CHROM.1>
80.05783475,-104.68590804,0.10777033,200.86978083,208.96169373,247.62918828
2.58398095,0.02853991,0.20243247

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446350/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07958

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-0.320418

>  <SCORE.INTRA.DIHEDRAL>
-0.0223866

>  <SCORE.INTRA.DIHEDRAL.0>
1.52369

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.309224

>  <SCORE.INTRA.VDW.0>
-0.976163

>  <SCORE.INTRA.norm>
-0.0168641

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.425241

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004155

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  194.7359  198.1472  240.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8869  197.6564  239.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3278  196.8161  238.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7319  198.8557  239.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0535  198.4240  238.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9935  197.6057  239.2571 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2659  198.1721  240.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5269  199.3372  240.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2655  197.1174  241.5406 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7145  196.0206  240.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4444  194.9586  241.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4634  196.3148  239.6329 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6675  197.1735  242.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0928  198.4261  243.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9117  198.5525  243.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0340  199.4114  243.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5598  200.5832  244.4063 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.7146  201.5600  244.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4252  201.3168  243.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5346  201.8635  244.3207 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5456  201.3348  242.2924 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6973  202.0204  241.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9369  201.8698  240.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1111  202.5032  239.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0584  203.3026  239.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8235  203.4829  240.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6409  202.8436  241.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2744  203.9068  238.6146 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.3604  197.4460  238.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0736  195.6231  239.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2273  200.6968  241.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
168.32504056,-58.85320082,-49.15404682,43.29555964,74.10536725,-175.87773067
175.68946509,145.22290141,-176.95359640,197.97886415,199.54208352,241.14727072
1.08491801,0.95183645,-2.67233881

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446351/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86894

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496552

>  <SCORE.INTRA>
-7.53106

>  <SCORE.INTRA.DIHEDRAL>
-2.87295

>  <SCORE.INTRA.DIHEDRAL.0>
9.0649

>  <SCORE.INTRA.POLAR>
-0.793151

>  <SCORE.INTRA.POLAR.0>
-0.0960175

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.39787

>  <SCORE.INTRA.VDW.0>
-1.29877

>  <SCORE.INTRA.norm>
-0.259692

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.23686

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000574

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  194.7633  216.6171  251.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4794  215.3309  250.9977 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.9877  215.5780  251.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6580  214.2835  251.4439 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.0982  213.1242  250.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8173  211.9091  250.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4050  210.8117  249.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2618  210.9106  249.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5310  212.1070  249.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9318  213.2442  249.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1831  214.5164  249.7676 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4038  214.8284  248.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2763  214.1067  247.6306 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6969  216.1202  248.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3294  216.1964  248.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5999  217.3420  248.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2544  218.4805  247.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6457  218.5026  247.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3563  217.3193  248.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7983  217.4311  248.2300 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.4350  216.8999  247.3114 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2713  218.1497  249.1244 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.4225  214.0370  252.8746 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1875  213.6111  253.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4058  214.5180  254.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1923  214.1349  254.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7559  212.8185  254.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5306  211.8933  253.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7300  212.2903  253.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8691  214.7236  253.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
74.09224151,-100.38552440,-108.24116299,195.27992710,214.78320769,250.35413621
2.12014143,0.94490247,-1.22188967

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446352/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.46331

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.289655

>  <SCORE.INTRA>
-2.93669

>  <SCORE.INTRA.DIHEDRAL>
3.35956

>  <SCORE.INTRA.DIHEDRAL.0>
9.46636

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.61647

>  <SCORE.INTRA.VDW.0>
-0.0195749

>  <SCORE.INTRA.norm>
-0.101265

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.18839

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  208.7464  196.3610  248.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3394  197.6538  249.4374 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.4341  198.4962  250.2426 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.7417  199.8647  250.6711 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8127  201.1496  250.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0111  202.0873  251.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6200  201.1830  249.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4031  200.0305  248.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4139  198.7826  248.7605 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.5004  199.1017  250.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6627  198.7441  251.1322 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2619  199.5357  247.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6350  199.1122  246.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8090  198.9065  245.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8558  202.3232  249.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7426  202.4030  248.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8580  198.4176  249.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6801  197.3716  250.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8996  197.1420  249.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3935  197.9229  248.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6750  199.0168  248.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3938  199.2485  248.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0625  199.9008  247.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6631  199.3617  245.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6032  197.4680  248.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7910  196.3004  248.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7273  196.1000  249.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  6  0  0  0
  4 10  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  6  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-89.73788776,-178.83465364,76.75923635,-118.47166361,42.91987798,209.86017427
199.05378862,248.93816680,0.07092532,-0.46222708,2.13919556

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446353/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.46973

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-1.93027

>  <SCORE.INTRA.DIHEDRAL>
1.48476

>  <SCORE.INTRA.DIHEDRAL.0>
3.64629

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.67265

>  <SCORE.INTRA.VDW.0>
1.37725

>  <SCORE.INTRA.norm>
-0.0714914

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.313694

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006576

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  192.2933  220.9343  248.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1022  220.3788  249.8929 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.8623  219.3917  250.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5760  220.4454  249.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8166  221.0878  251.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3098  220.2970  252.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6303  218.9610  252.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1968  217.7368  252.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5900  217.6182  252.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6805  217.9254  252.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9851  217.7833  252.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2068  217.3182  251.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1249  216.9990  250.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8109  217.1550  250.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6439  216.7887  249.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9439  215.1742  250.3128 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2107  215.4345  251.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4141  214.3458  252.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7589  214.3401  253.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8955  215.4226  254.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6878  216.5045  254.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3450  216.5422  252.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
163.48393752,-63.67108017,112.71543154,193.44642759,217.51391210,251.56061804
1.10343883,0.30463288,-0.32270542

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446362/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.63295

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.76705

>  <SCORE.INTRA.DIHEDRAL>
-2.56946

>  <SCORE.INTRA.DIHEDRAL.0>
3.26018

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.48232

>  <SCORE.INTRA.VDW.0>
-0.0169518

>  <SCORE.INTRA.norm>
-0.131764

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.268236

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014747

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  211.3392  182.5402  245.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4245  181.5822  247.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4473  180.4682  246.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5885  179.4687  247.9928 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4752  178.2799  247.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3241  180.3957  249.3967 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.8863  180.9990  250.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7601  180.5990  249.9308 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1524  182.0049  251.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.49964530,172.37368704,89.78423267,11.41359509,212.28476494,180.67410865
248.58004549,1.65630335,0.97834268,-1.64932207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446364/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.32762

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-1.07238

>  <SCORE.INTRA.DIHEDRAL>
0.510786

>  <SCORE.INTRA.DIHEDRAL.0>
1.04711

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.32777

>  <SCORE.INTRA.VDW.0>
0.370491

>  <SCORE.INTRA.norm>
-0.119153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.925291

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046646

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  194.4895  202.9770  255.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1831  203.7766  255.6268 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.0705  204.7289  254.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7974  205.5822  254.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6510  206.5548  255.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6111  207.5541  255.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7826  207.6191  253.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7760  206.5211  253.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0217  202.8977  255.8249 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7940  202.4699  257.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1101  202.0766  255.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.69242351,81.06903208,62.87299688,192.12694495,205.01918249,255.04796689
-1.11515513,0.60864159,-0.70642889

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446365/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.75412

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-1.64588

>  <SCORE.INTRA.DIHEDRAL>
0.294344

>  <SCORE.INTRA.DIHEDRAL.0>
0.486994

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79305

>  <SCORE.INTRA.VDW.0>
2.12195

>  <SCORE.INTRA.norm>
-0.164588

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.675412

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010552

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  192.8826  208.4800  249.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7544  209.2333  250.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4083  208.4481  251.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4323  210.5062  250.7447 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8087  211.4677  249.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7101  211.2664  249.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5658  212.6439  249.9060 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8360  212.7621  250.6867 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.2543  214.2186  250.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7980  215.2366  250.2648 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7540  215.0369  249.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1066  213.8038  249.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0008  213.7850  248.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5158  214.9508  247.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1598  216.1580  247.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2807  216.1915  248.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3970  214.7713  246.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2982  215.5542  245.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3978  214.6069  252.1923 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.9756  211.9352  250.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3647  212.4820  248.3042 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.0701  211.6114  247.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5895  213.3562  252.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  6  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
73.56662361,3.74762074,60.39047571,0.33807120,-144.20796611,-82.26226841
193.74158376,212.95016973,249.45201719,1.04297047,0.59926598,2.85790327

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446366/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.3725

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-4.0275

>  <SCORE.INTRA.DIHEDRAL>
-0.3635

>  <SCORE.INTRA.DIHEDRAL.0>
3.83628

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.84575

>  <SCORE.INTRA.VDW.0>
3.36594

>  <SCORE.INTRA.norm>
-0.183068

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.335114

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 52  0  0  0  0  0  0  0  0999 V2000
  204.2432  204.9833  247.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5594  204.6142  248.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5932  203.2431  248.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9531  202.7375  249.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3064  203.6352  251.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2715  205.0374  250.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8157  205.5216  249.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6983  206.9330  249.3630 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5733  207.7014  248.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5440  208.4737  247.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3531  209.0900  247.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1539  208.8033  248.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2308  208.1483  249.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4470  207.7017  249.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8836  209.0857  247.5331 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9660  208.1362  246.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2006  207.4974  245.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3054  206.4656  245.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1958  206.0959  246.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9680  206.7819  247.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8154  207.8011  247.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4566  208.4434  249.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2262  204.9793  245.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5452  205.5286  243.7939 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.1737  206.4242  242.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1214  204.2522  244.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1125  205.2379  243.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4023  207.8640  244.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4109  210.1255  246.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6294  211.0698  246.3411 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5193  210.1031  245.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4533  210.8821  244.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5489  210.9357  243.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7034  210.2108  243.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7596  209.4198  244.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6634  209.3696  245.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7375  208.5789  246.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7717  207.9769  247.2075 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6513  206.0900  251.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7691  202.8603  252.5598 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.6262  202.1033  253.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0718  202.2521  252.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9432  203.9938  253.7062 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9818  201.2341  250.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5629  207.3360  248.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9763  209.9199  246.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6888  206.1077  242.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1996  203.5316  254.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  2  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 37  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 40 41  2  0  0  0  0
 40 42  2  0  0  0  0
 40 43  1  0  0  0  0
 43 48  1  0  0  0  0
M  END
>  <CHROM.1>
-61.01625813,59.47792981,-117.04993408,106.03962031,-73.77449055,-32.32760955
58.07222966,-179.80858012,202.36818706,206.54430587,247.65972195,-0.80849785
-0.39998507,-0.67821599

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446367/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.59845

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.259091

>  <SCORE.INTRA>
-5.80155

>  <SCORE.INTRA.DIHEDRAL>
-1.92107

>  <SCORE.INTRA.DIHEDRAL.0>
6.27507

>  <SCORE.INTRA.POLAR>
0.0378895

>  <SCORE.INTRA.POLAR.0>
-0.0942392

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.96983

>  <SCORE.INTRA.VDW.0>
0.208278

>  <SCORE.INTRA.norm>
-0.131853

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.127238

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000354

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  183.6113  216.3566  257.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2874  215.9207  259.0104 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5261  216.6902  259.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4345  216.0823  260.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4668  214.9083  260.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1773  213.5794  260.7381 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.1330  212.5069  261.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2666  211.6171  261.2196 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0930  213.1816  259.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4843  213.0658  259.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3581  212.7348  258.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8563  212.4806  257.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4809  212.5406  257.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0065  212.2507  255.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6466  212.2847  255.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7406  212.6172  256.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1978  212.9202  257.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5732  212.8898  258.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  3  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
83.73637649,65.38170423,177.25093816,118.53123321,183.68872293,213.67134226
258.72974526,-1.39929582,-0.80288040,-2.25410344

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446368/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12697

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-2.27303

>  <SCORE.INTRA.DIHEDRAL>
0.784685

>  <SCORE.INTRA.DIHEDRAL.0>
0.937985

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.66537

>  <SCORE.INTRA.VDW.0>
0.0480246

>  <SCORE.INTRA.norm>
-0.12628

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.395943

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030607

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  201.4529  209.5323  248.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5831  210.7964  247.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2262  210.8396  246.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1385  212.0132  247.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3272  213.1344  247.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9317  214.1326  248.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2506  215.2716  247.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0589  213.5133  249.2527 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5863  212.1472  249.2438 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5093  211.8850  250.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2279  212.4552  250.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2427  212.1701  251.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5271  211.3112  252.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7930  210.7453  252.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7823  211.0368  251.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3073  210.9413  253.3333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.7073  214.1119  250.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7457  214.8798  251.0639 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0610  213.3645  245.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0758  214.2367  251.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3320  214.2886  245.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
176.69784053,-179.18117408,86.85786542,-46.83249750,62.13746563,201.38544250
212.28009043,249.63014933,0.62914191,-0.89600031,-2.02079613

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446369/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.97078

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-0.429221

>  <SCORE.INTRA.DIHEDRAL>
-0.492307

>  <SCORE.INTRA.DIHEDRAL.0>
3.28406

>  <SCORE.INTRA.POLAR>
0.0310318

>  <SCORE.INTRA.POLAR.0>
-0.0310318

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.288575

>  <SCORE.INTRA.VDW.0>
-2.15109

>  <SCORE.INTRA.norm>
-0.0225906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.419515

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003147

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  205.7158  196.8773  243.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3349  197.2695  243.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9867  196.6288  245.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2387  195.1169  245.1839 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6485  194.7495  244.6889 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9039  195.3645  243.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7750  195.1587  245.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6446  196.0399  246.5117 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1532  194.6190  245.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4519  193.6606  244.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7708  193.2272  244.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7880  193.7338  245.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5023  194.6722  246.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1873  195.1101  246.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5632  193.1381  244.8518 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.9101  194.3849  246.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2934  193.2907  246.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3780  194.9244  247.5472 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  1  18  -1
M  END
>  <CHROM.1>
136.23410812,-21.98215053,-5.76450605,208.03033704,194.53275558,245.19249673
-3.02390576,-0.25361187,2.23351788

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446378/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39571

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-2.00429

>  <SCORE.INTRA.DIHEDRAL>
-3.25848

>  <SCORE.INTRA.DIHEDRAL.0>
5.49927

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.375051

>  <SCORE.INTRA.VDW.0>
-0.809666

>  <SCORE.INTRA.norm>
-0.11135

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.355317

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000956

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  215.9620  195.1977  244.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9765  195.3219  245.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7317  194.6241  246.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7993  194.4119  247.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9264  194.4228  248.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9198  194.1848  250.0088 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5115  193.8629  250.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4466  193.9055  249.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5512  194.2112  248.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0252  193.6579  250.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7996  193.8273  251.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8961  193.0616  252.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2906  193.4772  251.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2145  193.4558  252.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4223  193.2490  251.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8222  195.3189  252.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9144  193.0959  250.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0014  193.3888  251.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9326  192.4056  251.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7875  191.0986  251.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6972  190.8041  250.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7612  191.7884  249.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0570  189.9220  251.5077 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.2111  190.0509  250.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2250  194.6518  247.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2691  194.8347  248.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2252  194.6321  246.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9792  196.8211  246.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  6  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
117.23572105,-92.38072831,215.91117339,193.41169521,249.65676845,-2.75801316
-0.36304695,2.07559913

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446379/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85391

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.264286

>  <SCORE.INTRA>
-0.546092

>  <SCORE.INTRA.DIHEDRAL>
0.00368411

>  <SCORE.INTRA.DIHEDRAL.0>
2.6219

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.547934

>  <SCORE.INTRA.VDW.0>
-1.78654

>  <SCORE.INTRA.norm>
-0.0195033

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.244782

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016804

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  196.1290  203.6214  245.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5206  203.9130  246.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7527  204.7297  247.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0030  204.4653  248.1002 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.8707  203.3873  247.4985 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9104  202.8236  248.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3384  203.2187  249.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5064  201.7229  247.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6446  201.1302  247.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2909  200.0834  246.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5866  199.3716  246.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2096  198.3696  245.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5274  198.0503  245.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2370  198.7444  246.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6212  199.7619  247.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6102  197.6437  244.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6016  201.4276  245.9610 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.5193  202.7419  246.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4091  202.9112  245.6395 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7245  204.2363  249.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3910  202.9490  250.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2072  202.6885  251.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3377  203.6173  252.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6778  204.8676  251.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8739  205.7934  252.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1908  207.0570  252.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4865  208.2302  252.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2522  206.9022  250.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8771  205.3002  250.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2116  201.7780  249.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1449  201.6981  248.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6384  205.5621  247.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5188  205.6329  249.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7564  206.4310  246.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6883  197.8892  244.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 19  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  1  0  0  0
  5 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 29  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
137.07886141,84.86857818,-18.77979783,0.75967436,-67.92963582,199.80195798
202.87994438,248.18245526,2.28083979,-0.55780493,1.03229199

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446380/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.93973

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.276471

>  <SCORE.INTRA>
-15.3397

>  <SCORE.INTRA.DIHEDRAL>
-5.96078

>  <SCORE.INTRA.DIHEDRAL.0>
16.0415

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.3593

>  <SCORE.INTRA.VDW.0>
10.4284

>  <SCORE.INTRA.norm>
-0.451169

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
-0.174698

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000299

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  194.5583  201.8452  251.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7556  202.6498  250.2694 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.3370  204.0379  250.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3356  204.8993  251.3180 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.0418  205.0517  250.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4591  203.6974  250.1525 N   0  3  2  0  0  0  0  0  0  0  0  0
  192.1829  203.2340  251.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4646  202.7847  249.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2116  203.8090  249.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0845  204.5580  250.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4588  203.7337  251.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1357  203.9797  252.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3656  203.2674  252.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1352  203.4857  253.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6384  202.3325  254.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4206  202.4213  255.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7216  203.6794  255.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2382  204.8419  255.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4483  204.7382  254.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5314  203.7945  257.1393 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.9239  202.7443  257.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7685  204.9322  257.5641 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.9364  206.2619  251.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  3   6   1  20   1  22  -1
M  END
>  <CHROM.1>
-61.12611777,-71.99787754,91.12513997,-77.40779728,174.94774211,132.49720157
193.05786006,203.80026910,252.82210759,-1.88634812,0.01888258,1.59620909

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446381/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34524

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-6.05476

>  <SCORE.INTRA.DIHEDRAL>
6.56394

>  <SCORE.INTRA.DIHEDRAL.0>
1.09631

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.23673

>  <SCORE.INTRA.VDW.0>
1.70232

>  <SCORE.INTRA.norm>
-0.275216

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.242965

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000350

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 47  0  0  0  0  0  0  0  0999 V2000
  205.7661  200.5873  247.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2526  200.3468  247.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5399  200.0772  248.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5365  199.7269  249.4420 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3695  199.7046  248.5238 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.9984  198.4264  247.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1564  197.4370  248.9735 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0317  196.5302  248.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8415  196.5484  247.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5346  197.2670  246.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7339  197.0395  245.0591 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.5791  195.9923  246.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0135  195.7972  247.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7477  195.4341  245.7669 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1973  195.4086  249.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6039  194.2926  249.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9235  195.7849  250.9754 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8724  196.6727  251.6525 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.5492  198.1757  251.8033 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.0060  198.4225  251.5754 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0632  197.2511  250.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9513  196.8538  250.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9169  198.4690  252.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5664  198.2357  253.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1452  198.1388  254.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9213  198.8114  253.3488 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.5464  197.7558  255.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5467  196.3010  255.2849 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.9913  195.7948  256.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0892  194.4412  256.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7299  193.5930  255.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2102  194.1082  254.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0887  195.4655  254.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3781  198.6294  252.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2497  198.6999  253.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6866  198.7325  250.9782 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8053  200.1820  249.1831 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7359  194.7494  245.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5354  196.0712  245.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9376  195.7211  251.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6344  198.8499  250.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5647  200.2118  248.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.9827  199.5928  249.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 40  1  0  0  0  0
 18 17  1  6  0  0  0
 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 26  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 41  1  0  0  0  0
 37 42  1  0  0  0  0
 37 43  1  0  0  0  0
M  CHG  1  28   1
M  END
>  <CHROM.1>
-15.19722732,155.72363005,-118.29989658,-20.72616112,155.61300383,-67.39671255
-71.29547030,102.21662020,178.95568793,-97.41167812,-106.21203959,179.12492752
207.84605896,197.38668530,250.63355825,2.14753366,1.09792289,-1.93126729

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446382/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.35531

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.443243

>  <SCORE.INTRA>
-13.0447

>  <SCORE.INTRA.DIHEDRAL>
-3.28236

>  <SCORE.INTRA.DIHEDRAL.0>
14.3669

>  <SCORE.INTRA.POLAR>
-1.52048

>  <SCORE.INTRA.POLAR.0>
-0.100101

>  <SCORE.INTRA.REPUL>
-0.126159

>  <SCORE.INTRA.REPUL.0>
0.126159

>  <SCORE.INTRA.VDW>
-5.60309

>  <SCORE.INTRA.VDW.0>
-2.08097

>  <SCORE.INTRA.norm>
-0.352559

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.090684

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000611

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  197.8186  210.5518  242.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6874  209.6106  242.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5059  209.1742  244.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4497  209.6723  244.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5800  210.6166  244.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7633  211.0525  243.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2624  209.1967  246.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3226  207.9908  246.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8694  208.3568  246.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2891  207.5117  245.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8946  207.8013  243.7432 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3917  208.6398  242.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1376  208.6458  241.7018 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1630  207.7573  241.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0261  207.2216  243.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8285  206.3240  243.8382 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8476  205.9689  243.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1100  206.4013  241.7799 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2615  207.3076  241.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5402  207.9132  239.6076 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.4503  209.2114  239.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-91.72253787,-69.73756906,124.15944127,-68.32774748,-97.05491166,51.15066236
196.68056030,208.34573215,243.20975329,-1.09156109,0.92809431,0.99515351

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446383/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.07105

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-2.32895

>  <SCORE.INTRA.DIHEDRAL>
6.63255

>  <SCORE.INTRA.DIHEDRAL.0>
4.86877

>  <SCORE.INTRA.POLAR>
0.0400419

>  <SCORE.INTRA.POLAR.0>
-0.0400419

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.78136

>  <SCORE.INTRA.VDW.0>
-0.551007

>  <SCORE.INTRA.norm>
-0.116447

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.453553

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001425

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 48  0  0  0  0  0  0  0  0999 V2000
  197.1464  214.7704  263.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8357  213.7926  262.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1603  213.1899  262.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9021  212.8421  261.4851 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0553  211.9022  262.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8463  212.4043  263.1077 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.1632  211.2978  263.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7336  211.5806  263.9697 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4126  212.2694  262.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6636  213.0843  262.3428 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6847  213.3249  260.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5045  214.3883  260.1843 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5965  214.2693  258.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5711  214.9542  257.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9965  215.3990  257.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8175  215.6668  260.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9894  216.0709  260.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7517  216.5791  261.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1361  216.0837  262.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.3829  215.3301  264.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9989  215.1225  264.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1874  215.4196  263.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7535  215.8901  262.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2598  214.9702  266.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4748  215.5927  266.0254 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.6994  215.2836  267.2428 F   0  0  0  0  0  0  0  0  0  0  0  0
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  196.3304  211.5077  259.6674 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4998  213.3691  259.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0549  214.6129  259.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5004  215.4949  258.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4442  215.0762  256.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0330  213.7631  256.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5629  212.9176  257.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8477  215.9787  256.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8704  216.3286  255.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9518  216.7673  258.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3799  216.8674  258.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9017  216.1450  259.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3177  216.7763  261.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8275  216.0976  262.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3288  216.6372  263.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5253  212.1800  264.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  6  5  1  6  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 30  2  0  0  0  0
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 31 36  1  0  0  0  0
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 32 33  1  0  0  0  0
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 33 39  1  0  0  0  0
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 37 38  1  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <CHROM.1>
-58.96363921,71.73507238,-176.30297696,-74.43030317,168.03917807,89.83468551
129.61844893,66.08044521,59.18970402,21.00755276,-3.30318588,94.93821613
-120.61418506,-68.72484770,-62.73421495,-179.37722451,179.77471816,196.03459290
214.60378789,261.40223438,-2.26866075,-0.30054248,-1.64225664

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446384/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.6381

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.509091

>  <SCORE.INTRA>
-11.7619

>  <SCORE.INTRA.DIHEDRAL>
2.72064

>  <SCORE.INTRA.DIHEDRAL.0>
14.5544

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-13.1222

>  <SCORE.INTRA.VDW.0>
-0.141952

>  <SCORE.INTRA.norm>
-0.267316

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.241775

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 67 69  0  0  0  0  0  0  0  0999 V2000
  201.5347  160.0017  269.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 19 20  2  0  0  0  0
 21 19  1  6  0  0  0
 21 22  1  0  0  0  0
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 36 35  1  1  0  0  0
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 37 52  1  6  0  0  0
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 41 49  1  0  0  0  0
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 55 65  1  0  0  0  0
 56 66  1  0  0  0  0
 57 67  1  0  0  0  0
M  END
>  <CHROM.1>
179.13434084,73.51680980,68.60161401,-176.02068611,62.15581014,-109.91135025
-135.65493103,164.67868119,179.24499988,-90.22867601,-70.67393344,48.43725373
-94.65150446,74.92397682,-46.82310748,-175.62269527,-59.90820143,-172.35920226
75.99732906,-12.04002585,-113.38173955,177.52708762,21.99007943,-167.92654726
54.18280161,155.93065261,-172.37018470,-64.07110015,106.12794539,120.80728483
157.67426788,-26.13779645,-82.64510511,203.13497705,158.22874245,270.38002337
1.36548623,0.27506941,-0.04771696

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446385/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.41709

>  <SCORE.INTER>
32.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
27

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.568421

>  <SCORE.INTRA>
-27.9829

>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
21.208

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
-0.628243

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-22.8748

>  <SCORE.INTRA.VDW.0>
4.27129

>  <SCORE.INTRA.norm>
-0.490928

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
57

>  <SCORE.norm>
0.0774928

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.760454

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  180.1316  236.6038  260.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8719  235.1116  260.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6059  234.4572  261.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.4418  233.0966  261.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7824  232.4511  260.3861 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.2647  232.4942  262.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8791  231.2538  262.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5973  230.7300  263.5750 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.2657  232.2180  264.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5009  233.0646  263.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9387  234.2894  264.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7536  234.8435  263.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1502  235.9688  264.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7189  236.5176  265.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9200  235.9774  265.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5301  234.8864  265.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0924  237.6509  266.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9058  236.5351  263.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0317  230.3385  261.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.2125  230.2706  260.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0583  229.3839  260.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3904  231.3868  259.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9113  231.5560  258.3824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  183.7528  232.9013  260.2089 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  181.4962  229.4798  261.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.66823676,3.71428229,-143.87796936,99.26734189,21.07064839,105.49109706
-48.67719451,181.39773674,233.22494652,262.02610814,2.42891212,-0.97639511
1.48690503

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446386/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.63508

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-4.76492

>  <SCORE.INTRA.DIHEDRAL>
-6.06474

>  <SCORE.INTRA.DIHEDRAL.0>
13.7935

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.73255

>  <SCORE.INTRA.VDW.0>
-2.91311

>  <SCORE.INTRA.norm>
-0.198538

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.318128

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000602

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  218.9685  181.1924  246.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9687  181.0351  245.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7614  182.1449  244.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5532  183.4238  244.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5545  183.5732  246.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7672  182.4616  247.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7127  182.6623  248.8207 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.2955  183.9487  249.1307 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3899  182.2798  249.2577 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7742  181.5770  249.3702 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3196  184.6544  244.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1317  185.7470  244.5460 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3234  184.4738  242.6978 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7583  181.9708  242.9417 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6517  181.7894  248.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1610  185.3075  242.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.6030  182.8351  242.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
-179.94007251,179.39245476,145.82548256,59.61673460,179.66785500,218.67071807
182.94793025,246.32354692,-1.17972835,1.39626404,-1.72159741

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446387/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10638

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-1.29362

>  <SCORE.INTRA.DIHEDRAL>
-1.09255

>  <SCORE.INTRA.DIHEDRAL.0>
2.2415

>  <SCORE.INTRA.POLAR>
-0.00134389

>  <SCORE.INTRA.POLAR.0>
-0.95144

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.742773

>  <SCORE.INTRA.VDW.0>
0.488307

>  <SCORE.INTRA.norm>
-0.0924011

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.43617

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004256

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  214.7745  180.5430  242.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3598  180.9302  242.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4356  180.1561  242.5937 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2685  182.1911  241.7949 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0778  182.8366  241.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1901  184.0726  240.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0129  184.6817  240.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7588  184.1081  240.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6517  182.9088  241.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8156  182.2854  241.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8505  184.9738  239.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4434  186.0132  239.2322 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7752  185.8367  239.4787 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7108  186.7610  238.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9091  186.6096  239.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1549  187.8888  238.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1370  182.6443  241.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-174.80670417,211.57638285,183.92112467,240.61576909,-1.21506462,-0.04924433
-0.52120878

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446388/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24483

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.155174

>  <SCORE.INTRA.DIHEDRAL>
-0.466628

>  <SCORE.INTRA.DIHEDRAL.0>
0.53586

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0781395

>  <SCORE.INTRA.VDW.0>
-0.0842241

>  <SCORE.INTRA.norm>
-0.00969839

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.390302

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000314

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  197.7209  217.1715  254.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3279  218.2358  255.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9144  219.5600  254.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4016  220.6058  255.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3387  220.2922  256.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7890  218.9628  256.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2862  217.9459  256.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9441  221.3074  257.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9196  222.0130  255.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4236  222.6878  256.5667 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7701  222.1567  257.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3407  220.9911  257.9585 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6886  220.8101  259.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5725  221.6903  260.1110 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1070  222.9450  259.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2069  223.7838  260.8025 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6384  223.2711  258.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1074  224.3719  258.0696 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4993  224.0857  256.7697 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0642  219.4236  259.3962 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.0860  218.2802  259.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5241  217.9201  257.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3520  217.8003  256.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4185  218.9210  257.0671 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9157  219.1523  258.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1502  219.8945  256.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3643  220.8157  256.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8397  219.8260  254.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2333  218.7184  253.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7493  218.7577  252.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5792  220.1348  251.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2790  221.1978  252.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7227  221.2031  254.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4338  224.4688  256.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 34  1  0  0  0  0
 20 13  1  6  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
129.58412120,-33.72999989,59.45655475,74.41537295,196.37367992,220.46596999
256.62941334,-1.72545298,0.12717025,1.00771261

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446389/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.21828

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-3.18172

>  <SCORE.INTRA.DIHEDRAL>
0.0946546

>  <SCORE.INTRA.DIHEDRAL.0>
5.0162

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.22904

>  <SCORE.INTRA.VDW.0>
-3.99408

>  <SCORE.INTRA.norm>
-0.0964156

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.188433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000707

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  197.5897  215.5469  264.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1374  214.1729  264.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9016  213.8154  263.1201 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5495  213.2978  262.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6222  211.8149  263.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9870  211.4296  262.6152 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8107  212.7220  262.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8156  210.9914  261.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9501  210.4330  260.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9647  210.2779  261.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7577  210.0447  259.4392 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6445  209.2449  258.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3411  208.9214  257.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2189  208.1392  256.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4069  207.6625  257.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7177  207.9534  258.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8279  208.7304  259.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9752  207.4601  259.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8881  209.4845  256.5928 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.9072  210.3663  258.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-81.21096897,-170.51168416,3.04830282,-179.49546084,198.98216897,210.62287809
260.31048196,-1.93705893,0.48499960,-2.09965744

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446390/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.36801

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-2.03199

>  <SCORE.INTRA.DIHEDRAL>
-3.60079

>  <SCORE.INTRA.DIHEDRAL.0>
4.76636

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.231598

>  <SCORE.INTRA.VDW.0>
1.26849

>  <SCORE.INTRA.norm>
-0.106947

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.38779

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  218.7103  179.6413  239.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5178  179.0230  241.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2555  177.9132  241.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0443  177.3583  242.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0988  177.8936  243.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3547  178.9922  243.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5637  179.5553  241.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8705  177.2615  244.8619 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4475  175.9684  245.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7729  176.0303  245.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9520  175.7773  245.3537 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9048  175.8642  246.3406 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3019  176.1742  247.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9522  176.3398  247.2214 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9167  176.8013  248.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0520  176.2253  249.0215 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.7888  176.7157  248.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8954  178.2053  248.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1448  179.0180  249.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6449  178.5282  247.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3485  178.9016  246.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5363  179.5233  247.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2696  180.0041  247.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7852  179.8323  246.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5717  179.1829  245.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8623  178.7181  245.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5762  178.0192  244.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0604  177.8286  243.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7741  177.5100  244.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4490  176.7658  243.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4475  177.1785  240.4809 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.0756  177.5629  245.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.2512  178.0825  246.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-7.95708282,91.17722220,-104.53787662,31.32144393,77.13616666,94.29246424
93.62430561,28.83649521,175.45263687,176.57990938,220.88487985,177.71776430
245.14894604,-2.06838395,-0.01143296,1.68394932

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446391/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.42581

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496774

>  <SCORE.INTRA>
-9.97419

>  <SCORE.INTRA.DIHEDRAL>
-6.4618

>  <SCORE.INTRA.DIHEDRAL.0>
13.3557

>  <SCORE.INTRA.POLAR>
-0.539337

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.90955

>  <SCORE.INTRA.VDW.0>
-1.87118

>  <SCORE.INTRA.norm>
-0.321748

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.175026

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  206.6982  188.3692  255.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4486  189.1448  254.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9189  188.8587  254.7721 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.9905  188.3211  256.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7589  187.6932  256.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8830  190.0460  254.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3996  189.7499  254.5867 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.4124  190.9114  254.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6964  191.7795  255.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9441  191.6189  256.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1797  192.0727  257.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1733  192.7059  258.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9409  192.9592  257.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9523  193.6163  258.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7225  193.9324  257.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4736  193.5964  256.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4364  192.9005  255.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6914  192.5405  256.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8326  188.6996  255.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2463  187.5894  255.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6272  189.0585  256.8851 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7871  188.0170  257.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1128  188.2964  259.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7004  188.8194  259.0687 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.2861  188.4039  258.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.7820  188.4056  260.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4338  189.1211  260.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6178  190.5456  260.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3272  190.9215  258.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7337  190.3319  258.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  1  0  0  0
  4  5  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  CHG  1  24   1
M  END
>  <CHROM.1>
-166.89312568,-174.65398522,72.20523791,112.61876438,109.21768301,168.97006485
-160.35574055,46.03255270,31.52714587,210.34805374,190.26927409,257.08871191
-2.78180866,0.63758753,0.82558933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446393/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.75038

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496552

>  <SCORE.INTRA>
-10.6496

>  <SCORE.INTRA.DIHEDRAL>
-0.989437

>  <SCORE.INTRA.DIHEDRAL.0>
9.1561

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.05491

>  <SCORE.INTRA.VDW.0>
-1.26558

>  <SCORE.INTRA.norm>
-0.367228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.129323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  225.1581  173.8287  244.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4324  174.6817  243.4313 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0072  175.8671  243.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0932  176.9617  243.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6814  178.2251  243.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1537  178.4266  244.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0715  177.3228  245.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4844  176.0488  245.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8603  179.7509  245.1585 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4006  180.1609  246.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1493  179.3755  247.3918 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6537  180.0154  248.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3502  181.7370  248.3134 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.0750  181.8910  246.4258 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.3576  179.4353  249.5929 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9480  179.7189  250.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3719  179.3583  249.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
141.06201674,-178.19717108,111.44890021,222.80420590,178.75468047,245.98880924
0.32402620,-1.18283087,2.52480051

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446402/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.44404

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-0.955958

>  <SCORE.INTRA.DIHEDRAL>
-1.00565

>  <SCORE.INTRA.DIHEDRAL.0>
3.45873

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.453133

>  <SCORE.INTRA.VDW.0>
1.22173

>  <SCORE.INTRA.norm>
-0.0637305

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.496269

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001936

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  187.1242  220.7706  255.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2262  220.3795  256.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4136  219.3581  257.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5079  218.9748  258.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4145  219.6125  259.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2357  220.6255  259.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1403  221.0074  257.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6173  219.1310  261.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1021  219.9620  261.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2303  219.2124  263.5731 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.5970  217.7555  262.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2880  216.5768  263.3544 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8170  215.8584  262.2681 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8639  216.6352  261.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3375  217.8754  261.5521 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4212  216.1397  259.5969 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.0676  215.6946  258.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0355  216.8649  259.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2423  217.6128  258.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6263  216.9713  260.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5356  217.9697  260.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0577  217.8759  262.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0081  218.7996  262.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4474  219.8317  261.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8854  219.9689  260.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9359  219.0420  259.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3920  220.6617  262.2013 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5001  220.9583  261.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5011  216.1894  260.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-157.08431084,-95.86471702,-55.51087974,-97.42540375,-177.80869470,134.02518699
188.83003138,218.55771615,260.46413471,-2.86244701,0.50992467,2.05166680

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446403/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.96943

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-8.43057

>  <SCORE.INTRA.DIHEDRAL>
-5.33057

>  <SCORE.INTRA.DIHEDRAL.0>
15.7175

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.76528

>  <SCORE.INTRA.VDW.0>
0.0590437

>  <SCORE.INTRA.norm>
-0.301092

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.106051

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  222.2980  182.4717  256.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5394  182.2626  255.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6187  181.5690  254.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4336  181.0856  254.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1942  181.2936  254.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1349  181.9878  255.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6154  182.2505  256.7318 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  222.4598  180.2156  252.6603 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.7830  181.3148  254.0663 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0095  181.7779  254.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1373  181.3126  253.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1233  182.0484  252.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1062  181.5210  251.3496 S   0  0  0  0  0  0  0  0  0  0  0  0
  226.6033  181.9845  250.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7993  180.1352  251.6050 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7855  182.3935  251.6396 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4844  182.1815  252.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
0.24764939,177.62338756,71.75117507,-83.63485822,-156.35682066,-60.63777273
223.83691069,181.53945392,253.68319515,-2.49147392,-0.18117846,-1.90481378

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446404/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.96226

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-2.43774

>  <SCORE.INTRA.DIHEDRAL>
3.17809

>  <SCORE.INTRA.DIHEDRAL.0>
0.450004

>  <SCORE.INTRA.POLAR>
-0.958631

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.767444

>  <SCORE.INTRA.VDW.0>
0.371099

>  <SCORE.INTRA.norm>
-0.152359

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.497641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000125

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  208.1137  190.3928  249.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9573  191.8892  249.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8056  192.3854  248.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5539  193.7528  248.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4505  194.6541  249.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5886  194.1826  249.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8562  192.8026  249.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1216  192.3906  250.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8334  191.6761  252.3748 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.1698  193.1293  253.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-74.76333251,-65.76192814,208.54998888,192.57155729,250.48053824,3.09380472
-0.96872241,0.26420078

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446405/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.22918

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.170818

>  <SCORE.INTRA.DIHEDRAL>
-0.127608

>  <SCORE.INTRA.DIHEDRAL.0>
0.874905

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.107014

>  <SCORE.INTRA.VDW.0>
-0.8681

>  <SCORE.INTRA.norm>
-0.0170818

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.722918

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029141

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  215.9700  183.9647  250.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0381  184.1672  251.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8211  184.6088  252.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5293  184.9117  253.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4710  184.6161  252.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6778  184.1589  251.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2896  185.5337  254.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6955  184.5563  255.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3550  184.9591  257.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9482  186.2383  257.7678 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6014  186.2231  258.0958 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.7580  185.7385  259.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2599  185.5785  256.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0674  187.9404  258.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3670  188.2914  257.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7480  189.6334  257.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8290  190.6183  258.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5230  190.2715  258.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1381  188.9249  258.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5979  191.2930  258.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8492  192.1355  259.1533 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8448  186.9464  254.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1969  187.2498  254.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6743  188.5600  254.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8135  189.5844  255.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4862  189.2964  255.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0175  187.9902  255.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4408  186.7879  258.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  3  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-65.20901139,-172.52243329,-53.36545199,-58.57191852,-74.66677187,-82.34508705
-149.85973311,216.77538213,187.09389611,256.08487941,2.37389854,1.22597936
-3.06214684

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446406/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.72431

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-2.67569

>  <SCORE.INTRA.DIHEDRAL>
-0.413784

>  <SCORE.INTRA.DIHEDRAL.0>
4.66947

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.4688

>  <SCORE.INTRA.VDW.0>
-4.60368

>  <SCORE.INTRA.norm>
-0.0990998

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.360159

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015345

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  204.3062  207.8312  246.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6390  207.9829  246.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1399  207.3220  245.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3194  206.4987  244.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9527  206.3809  244.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4694  207.0364  245.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0807  205.6321  243.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5329  205.0162  242.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8688  205.1295  242.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7693  205.8449  243.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1410  205.8650  242.8945 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6831  205.3972  241.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0491  205.0090  240.7346 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1952  205.4831  241.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6374  206.7411  241.3863 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.7688  206.3795  243.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-172.61116959,-80.49056721,205.95288631,206.20842271,243.49285015,-2.41997550
-0.28183508,-2.15418272

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446407/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.68074

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-1.71926

>  <SCORE.INTRA.DIHEDRAL>
-3.23153

>  <SCORE.INTRA.DIHEDRAL.0>
4.66062

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.103494

>  <SCORE.INTRA.VDW.0>
0.0159954

>  <SCORE.INTRA.norm>
-0.114617

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.378716

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022757

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  217.1160  192.8762  241.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9224  193.7892  242.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0541  192.9953  242.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4268  195.0117  241.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3216  196.0046  241.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8854  196.6507  242.2054 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1445  195.8787  243.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6439  195.7077  244.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9501  194.8851  245.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7307  194.2790  244.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2108  194.4969  243.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9386  195.2623  242.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9054  193.9589  243.2068 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.2487  193.2767  244.0045 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5255  194.2248  242.0559 O   0  5  0  0  0  0  0  0  0  0  0  0
  214.1397  193.4552  245.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8295  192.1470  245.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1400  191.3288  244.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8801  191.6796  243.7862 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5177  190.1199  244.6696 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7825  189.5303  245.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3666  188.3885  245.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6158  190.2519  246.8330 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0936  191.5516  247.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8660  192.2330  248.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8867  189.6451  247.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2627  189.8500  249.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5512  189.2371  250.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4428  188.4428  249.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0527  188.2462  248.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7774  188.8314  247.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8365  196.3029  244.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8193  197.1932  245.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7134  189.5350  243.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
72.13926999,69.89728681,-72.23084926,121.17681311,123.30279325,-122.19260471
143.25455088,214.41200609,192.70480214,244.95351720,0.33734686,-0.92672328
-1.88475876

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446408/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.76195

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-3.63805

>  <SCORE.INTRA.DIHEDRAL>
-1.8036

>  <SCORE.INTRA.DIHEDRAL.0>
24.349

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.73625

>  <SCORE.INTRA.VDW.0>
1.34631

>  <SCORE.INTRA.norm>
-0.110244

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.265513

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  187.6522  215.7245  254.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8961  214.3337  253.9542 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2092  213.9889  253.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5191  213.5211  252.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8321  213.1517  252.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8213  213.2156  253.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5071  213.5694  254.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1965  214.0106  254.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5443  213.6385  255.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1080  213.7144  256.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7249  213.8632  257.5097 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.9483  214.8755  258.5536 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2350  214.8083  259.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6774  215.4223  260.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0255  213.9120  258.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1100  213.4445  258.3819 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9096  215.7758  259.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1296  215.1941  260.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6286  215.1379  259.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3349  214.2518  258.7881 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.5058  214.5967  257.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1884  213.5183  256.7723 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8043  212.4799  257.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8741  212.9472  258.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1682  212.5581  258.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0446  212.3135  259.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6377  211.0567  259.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3110  210.0301  259.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3975  210.2683  257.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8124  211.5145  257.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5956  210.8064  261.3936 N   0  3  0  0  0  0  0  0  0  0  0  0
  189.9006  211.7393  262.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2437  209.6806  261.7751 O   0  5  0  0  0  0  0  0  0  0  0  0
  193.7497  213.7031  255.2448 O   0  5  0  0  0  0  0  0  0  0  0  0
  187.2431  213.4922  255.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 34  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  CHG  4  20   1  31   1  33  -1  34  -1
M  END
>  <CHROM.1>
-110.93666258,-166.54092737,107.64482288,90.54743170,-124.76361609,62.58202191
-77.51882723,189.99889986,213.32964157,257.52562571,1.44896295,-0.07645291
-1.31180291

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446409/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.42966

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-8.97034

>  <SCORE.INTRA.DIHEDRAL>
-2.82655

>  <SCORE.INTRA.DIHEDRAL.0>
19.8092

>  <SCORE.INTRA.POLAR>
-1.24982

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.30768

>  <SCORE.INTRA.VDW.0>
-2.04504

>  <SCORE.INTRA.norm>
-0.263834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.100872

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000231

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  201.9847  225.9847  255.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7913  226.6838  255.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6478  226.0348  255.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6765  224.6776  256.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8875  223.9748  256.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0310  224.6375  255.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0747  222.5754  256.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1192  221.8879  257.1291 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4582  220.6208  257.4861 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5428  219.7362  258.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3628  220.0135  258.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1092  218.4316  258.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4110  218.0096  258.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6168  216.6667  258.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4633  216.0867  259.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1539  217.1887  259.0717 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.2684  214.7530  259.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0185  214.3374  260.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8628  213.0892  260.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9539  212.2389  260.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1964  212.6144  260.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3553  213.8670  259.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8119  211.0458  261.5392 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.5024  224.2517  256.8128 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7941  223.2228  256.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6978  222.9343  256.8971 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.3247  223.7352  254.9820 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.4075  220.2905  257.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
118.56439725,-0.73972575,-178.27115410,0.46803955,178.20019850,177.97850208
199.78033255,219.53679627,257.96178424,-1.60511497,-0.03602503,2.76054864

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446418/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.70783

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-5.69217

>  <SCORE.INTRA.DIHEDRAL>
-9.49202

>  <SCORE.INTRA.DIHEDRAL.0>
13.6206

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.946162

>  <SCORE.INTRA.VDW.0>
-0.542085

>  <SCORE.INTRA.norm>
-0.210821

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.211401

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000382

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  202.0370  198.4611  250.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8647  196.9695  250.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9899  196.7541  251.7857 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.8673  197.7849  252.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0390  198.7686  251.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5095  195.3670  252.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8882  195.1258  251.7555 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8830  194.8268  252.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6572  194.7071  253.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2857  194.6512  252.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9038  196.2655  251.5556 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.9650  196.6133  250.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2086  195.7332  249.5002 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5120  196.3577  248.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7830  197.7180  248.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9484  198.2008  249.4624 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.1498  198.4989  247.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2080  197.8696  246.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9161  196.5099  246.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5620  195.7535  247.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5261  198.6595  245.4433 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.8130  199.8586  245.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7063  198.0692  244.7216 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.0919  195.2070  250.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
65.65675273,120.92617534,70.49379450,-72.04604074,-11.61210406,204.06643686
196.98428117,249.64783948,1.88263961,0.16188670,-1.21159915

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446419/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.34088

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-7.05912

>  <SCORE.INTRA.DIHEDRAL>
0.541814

>  <SCORE.INTRA.DIHEDRAL.0>
2.54357

>  <SCORE.INTRA.POLAR>
-0.962251

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.05837

>  <SCORE.INTRA.VDW.0>
-1.64824

>  <SCORE.INTRA.norm>
-0.306918

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.145256

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  214.0548  193.6290  247.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9737  193.4707  246.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6277  191.9662  246.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6809  194.1746  246.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5223  194.0773  244.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5093  195.4732  244.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0641  196.0311  243.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6565  195.2208  242.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6895  193.8473  242.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1276  193.2809  243.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2199  195.7773  241.5309 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0595  197.3815  243.3841 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0746  196.7389  241.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6102  197.8064  244.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-79.53307951,-0.91193399,-0.28788355,213.76731621,194.58396530,244.50118248
2.41186633,-1.08503405,2.94913828

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446420/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38098

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0190208

>  <SCORE.INTRA.DIHEDRAL>
-0.0212793

>  <SCORE.INTRA.DIHEDRAL.0>
0.809067

>  <SCORE.INTRA.POLAR>
-0.000483381

>  <SCORE.INTRA.POLAR.0>
-0.353148

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0067376

>  <SCORE.INTRA.VDW.0>
2.39149

>  <SCORE.INTRA.norm>
-0.00158506

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.531748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  195.2163  203.6137  252.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7531  203.5049  251.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5811  202.5530  250.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9507  202.9109  252.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1958  204.8248  251.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7285  205.5788  250.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6488  205.2242  249.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1130  206.7893  250.1028 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0793  207.3866  250.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2960  208.2130  249.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3604  208.7151  248.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4696  207.6603  248.9749 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8330  208.3257  249.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7501  208.3396  248.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8877  208.8682  250.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1157  209.4578  250.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2934  208.7046  250.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5000  209.2703  251.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5131  210.5701  251.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3299  211.3066  251.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1293  210.7440  251.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7810  211.1613  252.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8169  212.2963  252.6720 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9912  210.3087  252.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8267  209.0716  251.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6424  208.5067  251.1776 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3129  210.8065  252.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2761  209.9221  253.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5312  210.3949  253.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8447  211.7502  253.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8926  212.6366  252.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6312  212.1668  252.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0613  212.2807  253.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0535  211.2604  253.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5069  210.0941  254.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4113  209.4681  253.9221 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
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 24 27  1  0  0  0  0
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 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 36  1  0  0  0  0
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 30 31  1  0  0  0  0
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 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
62.97301748,1.06466444,130.31353556,177.28071798,-55.85826860,149.15925687
198.17080704,208.66045425,251.54301569,-2.77634679,-0.33969418,-0.21243331

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446421/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.65637

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.316667

>  <SCORE.INTRA>
-2.74363

>  <SCORE.INTRA.DIHEDRAL>
-7.33588

>  <SCORE.INTRA.DIHEDRAL.0>
12.5786

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.924313

>  <SCORE.INTRA.VDW.0>
-1.23727

>  <SCORE.INTRA.norm>
-0.0762119

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.240455

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  204.6533  218.3882  252.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9882  216.8839  252.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3112  216.3214  250.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5220  216.7949  251.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4910  216.0834  253.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1791  214.9508  253.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7327  214.2311  254.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5730  214.6092  255.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8525  215.7040  255.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3035  216.4294  253.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0945  213.8826  256.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0195  214.1801  257.3951 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8034  213.2791  258.4230 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7606  212.3831  258.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9633  212.5372  257.3073 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.7535  211.3643  259.4186 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7515  211.1269  260.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6759  211.7081  260.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9953  210.0065  261.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9882  209.7157  262.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1646  208.7056  263.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3857  207.9960  263.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4158  208.3039  262.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2038  209.3040  261.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6058  207.6351  262.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2781  207.2136  261.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4861  207.0957  264.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7674  205.7432  263.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2002  208.3717  264.0608 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8072  209.4043  264.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5076  210.7042  259.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-147.93473127,179.50486145,2.22807664,-178.63275338,-60.57292131,123.76212340
140.01958960,203.08903452,211.95501855,258.55358337,1.35686899,0.54334389
-0.78248970

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446422/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.2752

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-5.1248

>  <SCORE.INTRA.DIHEDRAL>
-1.23476

>  <SCORE.INTRA.DIHEDRAL.0>
11.5616

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.50742

>  <SCORE.INTRA.VDW.0>
7.49635

>  <SCORE.INTRA.norm>
-0.170827

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.242507

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000264

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  215.7422  190.0470  243.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7382  190.8439  244.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1709  191.9143  245.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2688  192.5965  246.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8985  192.3388  246.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4653  191.2788  245.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3788  190.5217  244.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9676  193.0971  247.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8629  192.4316  247.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9282  193.3788  248.7344 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.9789  194.6992  248.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0285  194.4801  247.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8514  195.6143  247.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6161  196.7613  248.1725 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5876  196.7952  249.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7195  195.8191  249.2527 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1044  195.7231  246.2514 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.2002  195.0942  244.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6580  194.2363  244.0163 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5623  193.7092  243.3962 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4401  194.2080  243.8968 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8201  195.1632  244.7857 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8688  196.0249  245.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5595  195.5683  245.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6128  196.4158  246.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9601  197.7185  246.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2520  198.1849  246.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2052  197.3413  245.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-144.87649630,45.50478523,-137.32555498,-151.56890867,212.09259270,194.36995687
246.30308579,-0.43666103,0.87565079,-0.55127289

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446424/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.35035

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-5.04965

>  <SCORE.INTRA.DIHEDRAL>
-0.765283

>  <SCORE.INTRA.DIHEDRAL.0>
10.9681

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.66701

>  <SCORE.INTRA.VDW.0>
-2.44476

>  <SCORE.INTRA.norm>
-0.180345

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.15537

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000297

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  189.1539  230.9783  253.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6382  231.2155  253.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5648  230.2570  253.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2923  228.8090  252.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9088  227.8649  253.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2260  227.4181  253.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7034  226.4440  254.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8642  225.8828  255.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5480  226.3393  255.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1325  227.3681  254.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9370  227.9946  255.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6061  225.8075  256.9376 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.3760  225.0872  256.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5086  224.5193  257.3799 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3802  225.1820  258.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1330  226.2920  258.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1272  226.8201  257.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5628  227.9588  258.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9829  226.8351  260.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0729  226.2646  261.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3077  225.1732  260.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4519  224.6384  259.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4051  224.5798  261.5678 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1076  227.8933  252.8909 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0725  232.6287  253.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1535  228.9462  255.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.3970  225.0383  262.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7241  228.6694  252.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 26  1  0  0  0  0
 12  9  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <CHROM.1>
-122.04600454,-85.15153246,9.94381868,-115.78996931,-49.11813084,0.45291476
190.26004497,227.24237299,256.42416603,0.92446686,0.70401358,-0.55422040

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446425/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19742

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-2.20258

>  <SCORE.INTRA.DIHEDRAL>
-3.59898

>  <SCORE.INTRA.DIHEDRAL.0>
8.05325

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.403083

>  <SCORE.INTRA.VDW.0>
-1.39083

>  <SCORE.INTRA.norm>
-0.088103

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.247897

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000553

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  198.0355  203.8897  248.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2238  203.4101  247.6920 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8235  204.5346  246.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4854  204.6609  245.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9970  205.7082  244.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8605  206.6607  245.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2165  206.5216  246.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7051  205.4750  247.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3689  207.8116  244.4485 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5894  209.1017  244.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8317  208.0544  244.6947 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5145  207.8767  243.6797 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2580  202.8010  248.5970 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5034  201.6244  248.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-99.08804432,121.43516951,99.94799642,117.60238387,200.63001143,205.57245461
246.23067735,1.95355719,-0.21294249,2.58999907

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446434/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.96487

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-0.435135

>  <SCORE.INTRA.DIHEDRAL>
-0.027951

>  <SCORE.INTRA.DIHEDRAL.0>
1.5394

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.421159

>  <SCORE.INTRA.VDW.0>
-0.623104

>  <SCORE.INTRA.norm>
-0.0310811

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.640348

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006429

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  213.4852  198.1863  250.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2823  198.0811  249.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1565  197.1723  248.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2435  196.3855  247.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4386  196.4895  248.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5597  197.3778  249.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1574  195.4619  246.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7887  194.2711  247.0149 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7105  193.3153  246.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0061  193.5184  244.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9462  192.4503  243.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5682  191.2234  244.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2733  191.0485  245.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3365  192.0963  246.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0722  192.6041  242.4761 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.4146  194.7124  244.6335 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4923  195.6998  245.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8166  196.9562  245.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6175  196.9004  244.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9270  198.0576  244.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4173  199.3062  244.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6156  199.3968  245.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3197  198.2367  245.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-138.98658993,-142.46606438,212.67579049,195.40422185,245.84665574,-1.69734032
0.97573372,-2.45867969

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446435/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.37078

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-0.0292242

>  <SCORE.INTRA.DIHEDRAL>
-0.204522

>  <SCORE.INTRA.DIHEDRAL.0>
3.96678

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0730369

>  <SCORE.INTRA.VDW.0>
-1.65075

>  <SCORE.INTRA.norm>
-0.00127062

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.320469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003209

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  218.2200  189.9199  241.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1242  190.4815  239.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3253  189.8674  238.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6210  188.6925  239.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6922  188.1632  240.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4988  188.7718  241.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9493  187.9078  238.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8839  188.4049  236.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3003  186.8912  238.4695 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  1   9  -1
M  END
>  <CHROM.1>
-8.83776571,216.79373538,188.74089169,239.27338392,0.46134644,0.93602741
1.99793177

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446437/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.47903

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-1.92097

>  <SCORE.INTRA.DIHEDRAL>
-4.76302

>  <SCORE.INTRA.DIHEDRAL.0>
4.95847

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.460543

>  <SCORE.INTRA.VDW.0>
-0.157139

>  <SCORE.INTRA.norm>
-0.213441

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.49767

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.335882

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  206.0556  217.4361  242.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4039  216.6861  241.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0332  216.4299  241.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3094  216.9075  242.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9735  217.6446  243.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3396  217.9126  243.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9518  216.6840  242.9388 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0183  216.6701  244.3953 P   0  0  0  0  0  0  0  0  0  0  0  0
  199.6949  216.7227  243.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3266  215.0647  244.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3128  214.5266  245.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1504  213.1743  245.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1237  212.4982  246.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2563  213.1806  246.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4005  214.5425  246.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4249  215.2219  245.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0848  216.6563  245.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7438  216.6485  247.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2285  215.8017  248.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8304  215.7403  249.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9440  216.5318  249.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4509  217.3876  248.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8487  217.4524  247.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
157.26645132,167.35160960,95.84970855,-50.48523944,162.76821458,-137.95313235
202.45456994,216.02780187,245.33616897,-1.02228695,-0.41823698,2.03364358

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446438/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.34036

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-3.05964

>  <SCORE.INTRA.DIHEDRAL>
-0.475027

>  <SCORE.INTRA.DIHEDRAL.0>
5.66608

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.82213

>  <SCORE.INTRA.VDW.0>
-2.31439

>  <SCORE.INTRA.norm>
-0.133028

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.362624

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003127

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  205.6101  204.2030  254.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8294  204.7782  253.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7775  205.7620  253.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4747  205.3259  253.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4783  206.2334  254.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8063  207.5893  254.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0974  208.0340  254.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0760  207.1262  253.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0699  205.7575  254.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8202  205.3523  255.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-90.53906483,90.39682457,202.70162667,205.96802417,254.16650988,0.13730289
-0.30954906,2.96760707

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446439/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35726

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.0427355

>  <SCORE.INTRA.DIHEDRAL>
-0.0483239

>  <SCORE.INTRA.DIHEDRAL.0>
1.44323

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0185735

>  <SCORE.INTRA.VDW.0>
-0.245157

>  <SCORE.INTRA.norm>
-0.00427355

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.735726

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027746

$$$$
rDock on collection 9274/Array of sdfs_004190.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  214.4122  192.9231  241.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8273  191.8519  242.7891 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3755  192.2204  244.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8782  192.2544  244.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1687  193.4570  244.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7873  193.4857  244.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1127  192.3114  244.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8040  191.1080  244.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1846  191.0809  244.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4137  192.3472  245.1146 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.2430  190.5758  242.3233 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7685  189.4039  243.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4245  190.4757  241.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
65.59042566,167.75333877,-94.18608632,212.08633794,191.93664264,244.00457082
-0.15028004,0.41193009,-0.09792712

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446440/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71447

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-0.685532

>  <SCORE.INTRA.DIHEDRAL>
0.361891

>  <SCORE.INTRA.DIHEDRAL.0>
0.732981

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.866477

>  <SCORE.INTRA.VDW.0>
1.47535

>  <SCORE.INTRA.norm>
-0.0571276

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.642872

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002240

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  197.7237  210.2328  243.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8664  211.5201  244.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4084  212.6409  243.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6751  213.8708  244.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1584  214.2199  244.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9033  213.0812  245.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8359  213.0327  246.9461 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5310  212.0410  247.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2772  211.1262  246.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3635  211.1633  245.4844 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6672  212.1528  244.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7192  212.2348  243.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4540  210.9850  242.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
114.53804347,-59.54245049,-82.68119477,-130.14384487,200.42387681,212.15779564
244.97585358,-2.67059043,-0.35355156,0.90097734

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446443/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.50442

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-1.89558

>  <SCORE.INTRA.DIHEDRAL>
2.72753

>  <SCORE.INTRA.DIHEDRAL.0>
0.810657

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.25935

>  <SCORE.INTRA.VDW.0>
2.05805

>  <SCORE.INTRA.norm>
-0.145814

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.577263

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001432

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  190.1237  201.7260  253.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4287  202.8528  254.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8046  203.5229  254.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0278  204.6319  255.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4224  205.2228  255.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7098  206.3477  256.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1087  206.9417  256.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3779  208.0738  257.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7336  208.6407  257.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6356  208.6135  258.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9947  209.1864  257.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0125  208.0837  258.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4106  208.6311  257.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4415  207.5284  258.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8393  208.0955  257.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8830  207.0037  258.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2863  207.5687  257.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3621  206.5336  258.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9090  206.3679  259.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7223  205.7774  257.0421 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1  20  -1
M  END
>  <CHROM.1>
179.99992058,-179.89421847,179.98452817,-179.91429433,179.42284208,-179.95892650
-120.00294065,-120.34149302,179.98243611,-179.85144291,179.94533940,-179.94028691
179.96595505,-179.83959383,-92.57883039,198.90706449,206.52872881,257.02375395
-2.88957468,-0.11237194,0.39544967

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446444/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.1811

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02

>  <SCORE.INTRA>
-2.21892

>  <SCORE.INTRA.DIHEDRAL>
-0.675732

>  <SCORE.INTRA.DIHEDRAL.0>
2.02147

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.88106

>  <SCORE.INTRA.VDW.0>
-0.378132

>  <SCORE.INTRA.norm>
-0.110946

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.909054

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  214.4093  176.2708  245.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4017  175.8885  246.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1280  174.3842  246.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2282  173.6371  246.9085 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0526  177.6414  245.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9403  177.6510  246.7812 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.1221  176.6598  246.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2861  177.0044  246.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7734  175.3602  246.7870 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4720  179.0171  246.9909 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2340  173.7824  247.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.1109  174.0154  246.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5155  174.7293  246.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1299  179.2131  246.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.0731  178.9990  247.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <CHROM.1>
-162.48235557,66.28927660,76.81188010,70.56734360,61.62983570,108.59945681
-68.28418048,-178.55895877,215.53610144,176.32665822,246.43572118,2.42595785
0.20494298,2.99488155

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446445/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0241

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.24

>  <SCORE.INTRA>
-2.37594

>  <SCORE.INTRA.DIHEDRAL>
2.78929

>  <SCORE.INTRA.DIHEDRAL.0>
0.875949

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.370587

>  <SCORE.INTRA.VDW.0>
-0.408551

>  <SCORE.INTRA.norm>
-0.237594

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.00241

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034933

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 65 70  0  0  0  0  0  0  0  0999 V2000
  229.5967  185.0873  249.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3454  185.8938  249.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2553  185.6229  249.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0791  186.3754  249.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9522  187.4603  250.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9830  187.6026  251.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1943  186.8673  250.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3179  187.2634  251.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8133  188.3274  250.0337 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7260  187.9048  249.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8938  186.8529  248.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0627  186.1344  248.2941 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7792  186.4356  247.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8760  185.4477  246.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6726  187.2203  247.4743 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4966  188.2850  248.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4666  188.9753  248.2755 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5191  188.5735  249.1426 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.7711  189.6099  250.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1825  190.9176  250.0631 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.3633  191.3038  248.8045 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.5966  190.3904  247.5830 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.6610  191.1381  246.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4305  191.8010  245.9496 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2104  190.5887  245.7635 P   0  0  1  0  0  0  0  0  0  0  0  0
  221.5282  191.1076  247.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6107  191.4297  244.4926 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9904  189.3763  245.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4733  188.2557  244.3511 P   0  0  1  0  0  0  0  0  0  0  0  0
  222.7525  188.0188  245.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2908  187.2320  244.8118 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9562  187.1351  243.1248 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1162  187.5196  242.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9226  188.7438  241.4171 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.9037  188.4750  240.2905 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.4041  189.8688  239.9267 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.4014  190.5691  241.2855 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.4350  189.9195  242.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6155  192.0026  241.2488 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6903  192.9118  240.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2502  194.0521  240.4774 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4792  193.9859  241.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4309  194.9925  241.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3826  194.7766  242.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.4331  193.5476  242.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6853  192.4405  242.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.6885  192.7486  241.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3181  196.2287  240.6659 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2808  190.4933  238.9826 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8224  187.6377  240.6968 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7966  189.6317  247.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9753  191.3358  249.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.2100  191.9882  251.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0015  185.2250  247.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.9111  186.9678  246.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.3548  189.3712  249.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.1266  191.3381  243.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.4459  187.4216  244.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.3595  196.5649  240.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.0199  196.8791  240.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.9608  191.3812  238.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3455  188.0242  241.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.7741  188.9735  246.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.4149  191.5633  248.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.4525  192.8224  250.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 54  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 56  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  1  0  0  0
 22 23  1  6  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  1  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 57  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  1  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  1  0  0  0
 34 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 50  1  1  0  0  0
 36 37  1  0  0  0  0
 36 49  1  6  0  0  0
 37 38  1  0  0  0  0
 37 39  1  6  0  0  0
 39 47  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 47  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 48  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 48 59  1  0  0  0  0
 48 60  1  0  0  0  0
 49 61  1  0  0  0  0
 50 62  1  0  0  0  0
 51 63  1  0  0  0  0
 52 64  1  0  0  0  0
 53 65  1  0  0  0  0
M  END
>  <CHROM.1>
96.85882010,59.41254829,-70.15446558,-179.20195323,-140.10158546,-179.31706525
-62.80685803,169.74893745,-63.32852790,112.66952415,76.70298295,-16.58437766
56.03825588,87.44733547,-62.29632536,-67.34339988,-65.66488584,58.03170606
-179.90219818,72.36091511,43.26551845,223.42211695,189.60066828,245.69168860
0.74278533,1.03213445,2.77976605

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446446/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.73006

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.366038

>  <SCORE.INTRA>
-27.1301

>  <SCORE.INTRA.DIHEDRAL>
-10.6078

>  <SCORE.INTRA.DIHEDRAL.0>
26.5191

>  <SCORE.INTRA.POLAR>
-3.7377

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0515138

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.37554

>  <SCORE.INTRA.VDW.0>
-3.77572

>  <SCORE.INTRA.norm>
-0.511888

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
-0.14585

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017269

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  209.0515  200.4600  250.3492 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2420  199.5189  248.9945 Se  0  0  0  0  0  0  0  0  0  0  0  0
  208.9235  198.1180  249.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7639  199.2357  250.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5661  201.3231  250.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3087  200.1146  250.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
-164.30400865,73.40002494,208.23100306,199.44548520,249.37830842,0.47749489
0.13927795,0.49870665

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446447/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01824

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-0.381763

>  <SCORE.INTRA.DIHEDRAL>
-0.689747

>  <SCORE.INTRA.DIHEDRAL.0>
0.910805

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0368895

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.0954407

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.25456

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.162204

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  215.1113  188.8068  250.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8035  188.1357  249.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6137  187.0475  249.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7206  186.5656  251.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0125  187.2613  252.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2278  188.3818  251.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0235  186.8881  253.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4152  187.4419  254.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7009  185.7458  253.8172 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5254  185.4360  251.4518 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7425  185.0510  250.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7761  183.9374  249.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9740  183.6621  249.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1542  184.3235  249.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1516  185.4590  250.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9089  185.8574  250.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1694  183.8717  248.8345 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5377  183.0569  247.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0718  182.6260  246.8528 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2187  182.8605  248.2713 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6012  185.5875  254.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.4467  185.1586  252.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.9599  183.4146  249.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5225  182.5050  247.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
34.62394111,-178.80489421,-177.46676577,-108.57430123,218.35680125,185.57968096
250.60822505,2.71340753,-0.69204005,1.72979574

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446448/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.95183

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-5.44817

>  <SCORE.INTRA.DIHEDRAL>
-6.60994

>  <SCORE.INTRA.DIHEDRAL.0>
7.65535

>  <SCORE.INTRA.POLAR>
-0.739452

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.370933

>  <SCORE.INTRA.VDW.0>
-1.35639

>  <SCORE.INTRA.norm>
-0.272409

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.147591

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  195.3173  210.3405  241.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3166  210.9086  243.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7142  212.2350  243.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7196  212.7909  244.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3314  212.0331  245.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9406  210.7011  245.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9244  210.1496  244.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3409  212.5279  247.0468 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6434  213.8168  247.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8193  214.7777  246.7200 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5795  214.0025  248.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2918  213.0396  249.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0311  213.6811  251.4505 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.4943  215.1937  250.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7440  215.2577  249.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0465  216.6530  249.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2984  217.3637  250.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6144  216.4908  251.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1347  211.6702  249.8332 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2177  210.8320  249.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3168  211.0021  250.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9931  209.6086  248.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1356  208.8303  248.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0611  207.6841  247.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8373  207.2785  247.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6964  208.0310  247.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7676  209.1918  248.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2687  210.0349  248.4438 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.0560  211.8841  247.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3603  211.2971  250.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
4.08921948,1.81648181,71.42403391,40.55120144,174.80006765,195.45082836,212.00393355
247.97632446,-2.68391879,1.52313659,1.85697219

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446449/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.8418

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-6.5582

>  <SCORE.INTRA.DIHEDRAL>
-2.95735

>  <SCORE.INTRA.DIHEDRAL.0>
4.16449

>  <SCORE.INTRA.POLAR>
-0.676999

>  <SCORE.INTRA.POLAR.0>
-0.126729

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.77773

>  <SCORE.INTRA.VDW.0>
-1.34465

>  <SCORE.INTRA.norm>
-0.234222

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.137207

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  202.1186  216.5254  247.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6347  215.4287  246.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3148  215.0370  245.6794 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3919  214.8950  246.8659 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5600  215.2403  247.8857 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9986  216.1470  248.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1926  216.8186  248.6583 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5779  217.8000  249.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7361  218.1603  250.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0925  219.1599  251.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3040  219.8277  251.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1611  219.4884  250.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8034  218.4832  249.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0532  214.1844  246.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
178.72287736,201.44334141,217.07877577,248.77320323,-1.74572376,0.43759893
0.88326939

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446458/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.47825

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.921755

>  <SCORE.INTRA.DIHEDRAL>
-3.40913

>  <SCORE.INTRA.DIHEDRAL.0>
3.41232

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.782809

>  <SCORE.INTRA.VDW.0>
0.739239

>  <SCORE.INTRA.norm>
-0.0709042

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.421403

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009957

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 28  0  0  0  0  0  0  0  0999 V2000
  202.7681  218.5426  262.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2784  218.8304  262.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9469  219.4715  261.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4588  219.7910  260.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8469  220.7625  261.9186 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0092  222.1433  261.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4027  222.7856  261.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9421  222.8382  262.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3290  223.4702  263.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4116  220.4120  262.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2036  219.3734  263.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9226  218.1644  262.9942 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8820  217.0157  264.2218 Si  0  0  0  0  0  0  0  0  0  0  0  0
  198.4872  217.8179  265.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8700  218.4419  265.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1114  216.3832  264.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4380  215.6455  263.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9227  215.7339  263.8491 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2631  214.8905  264.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2073  213.7310  264.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4504  214.2074  263.9122 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6447  213.9159  264.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8996  214.8217  265.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0441  216.3031  265.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3107  217.1348  266.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5804  213.6265  262.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5799  214.1468  261.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7074  215.6504  261.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6482  216.1314  260.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
179.96810424,62.08624560,87.49323508,-75.45592983,86.69850163,-57.42371555
179.25129973,-57.92629026,174.56579737,-54.89539905,-56.37739989,63.26307778
163.32342825,179.85423788,54.33395793,115.81013236,-76.32875538,70.35816869
-58.36788922,-179.29913271,61.68432203,-176.80710957,199.94275253,217.64183738
263.35533377,-1.70059261,0.19387571,2.86623110

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446459/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
22.2866

>  <SCORE.INTER>
27.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
22

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.944828

>  <SCORE.INTRA>
-5.11338

>  <SCORE.INTRA.DIHEDRAL>
5.96977

>  <SCORE.INTRA.DIHEDRAL.0>
0.464212

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.09827

>  <SCORE.INTRA.VDW.0>
0.187317

>  <SCORE.INTRA.norm>
-0.176323

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.768504

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026924

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  205.0701  216.9695  246.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0536  216.2792  247.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5571  216.3208  248.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5185  215.6403  249.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7328  214.2271  249.6483 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8053  213.2571  249.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0668  211.9294  249.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2896  211.4506  249.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6010  210.2723  249.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1332  212.4659  248.9132 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9272  213.8224  249.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8083  214.5927  248.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9575  211.2844  250.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0585  212.2587  250.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5695  213.4663  250.5195 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6649  211.9725  251.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7571  212.1105  250.1024 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7236  213.3438  249.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4624  213.5032  248.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4959  214.7327  247.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7922  215.8093  248.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0555  215.6793  249.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0174  214.4502  249.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8260  216.9915  247.5240 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.3685  212.1973  247.6174 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.7469  209.8559  250.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0183  212.1959  248.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-179.80499437,-60.63124555,-78.04793298,-95.44827688,-59.07543057,98.62039246
204.56976508,213.59561808,249.06561367,-2.61044849,-0.03910967,2.76386875

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446460/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.2594

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-3.1406

>  <SCORE.INTRA.DIHEDRAL>
4.24789

>  <SCORE.INTRA.DIHEDRAL.0>
3.92163

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.26454

>  <SCORE.INTRA.VDW.0>
-0.196968

>  <SCORE.INTRA.norm>
-0.120792

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.317669

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000880

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  200.8744  224.4979  253.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1333  223.9885  251.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6424  223.8650  252.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3327  224.9036  250.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7363  224.8444  250.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9549  225.6496  248.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9633  225.4554  247.6780 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7523  226.0278  246.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5633  223.9037  247.4293 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0835  223.5846  247.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9897  222.4405  248.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2208  221.5546  247.9192 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3023  222.4840  247.1483 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.7547  222.6437  247.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0993  221.7927  248.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9135  221.4734  249.7518 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8204  220.7010  249.0229 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6889  220.1927  249.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2706  219.3036  251.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2487  220.1106  251.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0077  220.2884  253.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9103  221.0967  253.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5915  221.3475  255.1279 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2254  221.5385  253.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0058  221.9464  251.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4169  220.7882  251.0693 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.5386  219.7506  250.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4878  221.5339  245.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  6  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
M  END
>  <CHROM.1>
71.15246283,175.04501536,-50.96919008,-161.74070963,131.18262186,201.23305682
222.44809508,250.11074668,1.05145236,-1.36201953,1.49695103

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446461/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.54178

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-5.85822

>  <SCORE.INTRA.DIHEDRAL>
1.80777

>  <SCORE.INTRA.DIHEDRAL.0>
3.44031

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.76211

>  <SCORE.INTRA.VDW.0>
1.40446

>  <SCORE.INTRA.norm>
-0.209222

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.162206

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017047

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  199.6869  208.0597  249.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9157  208.7494  250.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2773  209.9448  250.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2184  210.7315  248.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0635  211.8985  248.8305 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7749  213.2288  249.7040 P   0  0  1  0  0  0  0  0  0  0  0  0
  199.8871  214.2307  249.6697 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4544  213.7624  248.9563 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1505  212.9627  251.2237 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4715  212.1269  251.9650 P   0  0  0  0  0  0  0  0  0  0  0  0
  200.1295  213.4441  252.3795 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5368  211.7781  253.2553 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7924  211.2911  252.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9776  207.9537  251.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0302  208.8309  252.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6182  213.9644  248.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3856  210.8116  253.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5947  211.6727  252.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8348  209.3685  252.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
144.25410051,-104.22774502,-68.71245399,168.04796641,-60.72953288,64.66470865
86.68246493,112.62309502,-173.57994905,-60.70284192,199.05498931,211.52450913
250.86341898,1.30253469,1.29098178,3.09502960

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446463/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.09954

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-14.4995

>  <SCORE.INTRA.DIHEDRAL>
-9.84301

>  <SCORE.INTRA.DIHEDRAL.0>
15.0255

>  <SCORE.INTRA.POLAR>
-2

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.77804

>  <SCORE.INTRA.VDW.0>
-0.803282

>  <SCORE.INTRA.norm>
-0.966636

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
-0.206636

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.063246

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  194.1338  212.5555  264.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5469  213.6945  263.7607 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.5861  214.3783  262.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7454  213.6792  262.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7469  214.3129  261.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6142  215.6466  261.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4635  216.3489  261.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4539  215.7208  262.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1577  213.4358  261.3393 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.4340  213.1942  262.8969 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.6323  212.9338  263.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0502  213.9805  262.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6597  212.0399  261.9569 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3738  211.6360  261.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6769  212.4640  260.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5280  213.6197  260.3257 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4769  213.9085  259.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5663  213.1309  259.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3977  213.7848  258.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8851  215.0251  257.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4227  215.3799  258.5358 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6948  213.2885  257.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2791  212.0656  257.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5715  211.9396  257.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9080  213.0491  256.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6504  214.2058  256.3856 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7153  211.8752  259.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6676  211.1077  259.6901 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6848  211.5830  260.6124 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8141  210.7061  261.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 29  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
24.25270531,68.80848923,175.95671322,-46.12064543,3.54557073,195.76348773
213.52941003,260.13826416,-2.32773723,-0.11126182,-1.65599491

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446464/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.842

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-4.558

>  <SCORE.INTRA.DIHEDRAL>
-2.45729

>  <SCORE.INTRA.DIHEDRAL.0>
4.07605

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.32936

>  <SCORE.INTRA.VDW.0>
-1.31946

>  <SCORE.INTRA.norm>
-0.168815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.21637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 35  0  0  0  0  0  0  0  0999 V2000
  208.2918  204.8625  245.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5980  204.1116  245.9485 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.2830  203.2269  247.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0334  202.5567  246.7777 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.0039  203.6137  245.7397 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.3930  202.2349  248.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2020  201.4469  248.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5184  199.9420  247.2406 P   0  0  1  0  0  0  0  0  0  0  0  0
  205.4110  199.2925  248.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7664  200.5040  245.9088 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8348  198.4372  246.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3945  198.4953  245.7017 P   0  0  1  0  0  0  0  0  0  0  0  0
  208.2768  197.0205  245.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6143  199.1923  244.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9541  198.5535  244.9554 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1233  199.1049  246.1050 P   0  0  0  0  0  0  0  0  0  0  0  0
  211.1560  197.7422  246.8012 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3000  199.0042  244.9840 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2926  199.6563  247.2548 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2633  203.3398  244.8888 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6863  203.2753  243.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2012  202.5027  242.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4240  201.7497  243.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9017  201.7247  244.2284 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2640  202.4157  245.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5575  202.2044  246.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0943  201.0363  242.0623 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6860  202.3718  241.4459 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.2763  200.1925  245.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1620  198.9671  243.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3993  199.8635  244.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3315  200.6208  247.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0792  200.0247  242.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0049  201.4237  241.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  1  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  6  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 33  1  0  0  0  0
 27 34  1  0  0  0  0
M  END
>  <CHROM.1>
-1.47714488,-174.10974433,58.63744230,149.83256007,140.61734801,11.56705422
174.74536093,-153.04897170,27.11424880,76.62827812,92.41652118,27.22009414
-111.68921600,209.10668134,200.86400517,245.60409121,0.39001429,0.50903869
-0.23792348

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446465/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.50147

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-21.9015

>  <SCORE.INTRA.DIHEDRAL>
-3.48729

>  <SCORE.INTRA.DIHEDRAL.0>
16.8467

>  <SCORE.INTRA.POLAR>
-2.99911

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.96084

>  <SCORE.INTRA.VDW.0>
3.73862

>  <SCORE.INTRA.norm>
-0.782195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
-0.26791

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014910

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  185.6837  222.9523  256.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8059  222.7317  255.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4921  221.6350  254.2116 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9218  221.9937  252.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4135  221.9586  252.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8660  220.2845  254.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6391  219.2779  253.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0516  217.8685  253.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8256  217.0104  252.9748 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7449  217.5965  255.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0945  216.3310  255.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7164  215.8851  256.5445 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0391  215.6844  257.7287 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3595  216.7004  258.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0996  217.0853  258.0565 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0191  218.1523  258.8572 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1126  218.4351  259.5768 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9832  217.4962  259.2329 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9553  218.7007  256.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5392  219.9380  255.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6097  216.3651  256.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.4450  215.0076  258.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.1832  218.7251  258.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 20  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
96.85505025,-95.59839681,-177.02530301,78.75651391,-57.83329219,86.14952984
186.94442794,218.90253234,255.83863550,2.52506425,1.25475946,-1.61554191

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446474/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19669

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-4.20331

>  <SCORE.INTRA.DIHEDRAL>
-1.08036

>  <SCORE.INTRA.DIHEDRAL.0>
6.21509

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.66313

>  <SCORE.INTRA.VDW.0>
2.58079

>  <SCORE.INTRA.norm>
-0.210166

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.359834

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000208

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  193.7973  210.1735  253.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5641  211.4478  253.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6834  211.6681  252.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4701  212.9405  251.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5969  213.1763  250.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3798  214.4298  250.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8522  215.4707  249.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4899  216.8151  249.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6953  217.1573  247.7786 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1022  218.3607  247.0626 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.4460  218.3646  247.5560 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2094  219.3853  247.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7666  220.7768  247.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0467  221.5624  248.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6952  222.9056  248.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9905  222.9851  249.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1756  223.1699  248.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4713  223.3042  249.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4277  222.1474  249.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9309  220.8013  249.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7941  220.2611  248.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7428  220.2744  247.5862 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8018  219.7410  249.5637 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0686  219.3592  249.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.28410086,-179.93159271,-179.75003311,-120.03117687,120.47983129,120.35057657
121.00810188,-120.36450615,-120.92796876,116.70989989,114.97700950,-66.84785007
73.84811977,42.73995833,-178.12296713,197.19346026,218.10648695,249.46955391
-2.00264545,-0.48568059,-0.55026154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446475/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.2392

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.843478

>  <SCORE.INTRA>
-7.16076

>  <SCORE.INTRA.DIHEDRAL>
0.213315

>  <SCORE.INTRA.DIHEDRAL.0>
6.46792

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.86742

>  <SCORE.INTRA.VDW.0>
-0.707579

>  <SCORE.INTRA.norm>
-0.311338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.532141

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022885

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  208.9506  201.6060  251.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7214  200.9246  250.6163 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0384  199.5054  250.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1617  201.5889  249.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8063  202.9462  249.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2763  203.6337  248.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0798  202.9842  247.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3841  201.6209  247.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9199  200.9463  248.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6308  203.7843  246.0583 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.3244  203.2500  245.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2646  202.7210  244.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9978  202.1544  243.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9874  201.7750  244.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7717  202.9265  245.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0784  203.4032  246.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0950  203.9920  247.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4035  202.6737  243.4546 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6147  203.2229  243.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7495  203.7969  245.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0430  204.4215  245.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1757  205.1562  246.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0806  204.1495  244.5415 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9379  203.6091  243.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8740  203.5253  242.5121 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6879  203.1789  242.9762 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3168  202.3101  242.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9776  204.5458  244.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.6001  202.7557  242.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 26  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
0.77712409,-122.20666737,207.23096370,202.82363169,246.32004312,-1.33611591
-0.08102377,-1.27276779

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446476/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35016

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.0498427

>  <SCORE.INTRA.DIHEDRAL>
0.0219113

>  <SCORE.INTRA.DIHEDRAL.0>
0.708673

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0607984

>  <SCORE.INTRA.VDW.0>
1.26711

>  <SCORE.INTRA.norm>
-0.00191703

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.282698

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000415

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  202.4843  205.2860  247.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5653  205.0756  245.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9600  204.6295  245.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3307  203.1811  245.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6963  202.8702  244.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0101  204.0575  243.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0956  205.6182  245.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8408  207.1639  244.4960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
71.22499736,-60.81489320,204.13152491,205.10019428,244.99728473,1.81600223
-0.81231851,-2.98001671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446477/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30339

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-0.0966127

>  <SCORE.INTRA.DIHEDRAL>
-0.138683

>  <SCORE.INTRA.DIHEDRAL.0>
1.1082

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0272713

>  <SCORE.INTRA.VDW.0>
0.522017

>  <SCORE.INTRA.norm>
-0.0120766

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.912923

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.116729

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  215.6111  190.4664  249.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2656  189.9084  250.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3212  188.6899  250.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1186  188.9751  252.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5356  190.2457  252.1711 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9971  190.8248  251.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5094  188.1022  253.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7116  187.4095  250.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4784  186.5643  251.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3652  187.1840  249.3585 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5294  186.0450  248.9220 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6389  186.4788  247.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7766  185.3211  247.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6913  187.6316  248.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5252  184.8634  248.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5101  183.8731  249.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4024  184.8965  247.5693 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7159  186.0215  246.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0454  185.4031  245.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6107  184.0265  245.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1281  183.6922  247.0952 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.3526  183.2905  247.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9859  182.2447  247.7903 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6099  184.1034  249.0173 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0794  185.4571  248.7974 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.7447  186.3559  249.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1681  187.8121  249.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9340  188.3530  250.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5355  189.9011  250.5812 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.6415  189.9860  249.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6065  191.0861  248.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8169  191.0229  247.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0643  189.8943  246.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1119  188.8016  247.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9169  188.8113  248.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5898  185.4495  248.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3378  184.6538  249.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0838  186.4945  247.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1054  186.9375  246.7280 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.5472  187.6070  248.2025 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.0965  186.0531  246.7784 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.5957  187.8489  248.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.7758  183.6387  249.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  6  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  1  0  0  0
 25 36  1  0  0  0  0
 26 27  1  0  0  0  0
 27 35  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
M  END
>  <CHROM.1>
-154.91289871,145.61540557,177.96616962,111.64921160,171.75653651,-69.14411741
155.57453976,179.92602317,-35.05465074,-125.64744196,-21.75096885,217.86605020
187.12784542,248.86821905,1.24969651,0.13353434,0.50929469

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446478/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.42584

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-8.97416

>  <SCORE.INTRA.DIHEDRAL>
0.595356

>  <SCORE.INTRA.DIHEDRAL.0>
9.2622

>  <SCORE.INTRA.POLAR>
0.336976

>  <SCORE.INTRA.POLAR.0>
-0.336976

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.4176

>  <SCORE.INTRA.VDW.0>
-5.56428

>  <SCORE.INTRA.norm>
-0.218882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.181118

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000366

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  193.2942  221.2372  264.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7364  220.9394  265.9842 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3645  220.9590  266.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6478  219.7506  265.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2564  219.7353  265.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5826  220.9502  266.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2692  222.1636  266.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6805  222.1833  266.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2530  223.4105  266.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2932  223.6047  267.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3874  223.2132  266.2732 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6331  224.4060  265.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5707  218.4709  265.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2426  218.3458  265.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6678  217.0211  265.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3900  216.0442  264.9207 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1846  216.8925  264.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6708  215.6273  264.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2944  215.4287  264.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4192  216.5034  264.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9169  217.7678  265.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3007  217.9556  265.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9710  216.3047  264.5539 N   0  3  0  0  0  0  0  0  0  0  0  0
  180.5653  215.1714  264.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.2368  217.2838  264.7533 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  2  23   1  25  -1
M  END
>  <CHROM.1>
98.23846280,-177.03637021,-134.66992279,-46.99440757,-0.33565627,-179.65626887
187.25172328,219.31640922,265.44329389,-0.60109822,0.04643689,-2.96799112

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446479/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.23504

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.16496

>  <SCORE.INTRA.DIHEDRAL>
3.36708

>  <SCORE.INTRA.DIHEDRAL.0>
6.31273

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.8485

>  <SCORE.INTRA.VDW.0>
7.6212

>  <SCORE.INTRA.norm>
-0.206598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.249402

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  196.4981  218.0840  250.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6048  218.3713  251.1722 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2498  219.7437  250.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3339  220.9068  251.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1448  221.7351  250.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0458  221.2123  252.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3283  222.3412  252.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1913  222.4701  254.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4564  222.8510  255.1094 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.4907  221.7953  254.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9991  224.1353  254.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1541  223.0203  256.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0472  218.3542  252.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7236  218.4534  253.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9426  218.5495  253.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9634  218.4404  254.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
66.99335281,174.04827510,-124.01534941,173.19735387,-177.89138210,71.94839145
-64.76686223,-1.19966364,197.38861235,220.66669920,253.10746744,1.59115925
1.40694498,-2.44320126

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446480/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.578198

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8375

>  <SCORE.INTRA>
-13.9782

>  <SCORE.INTRA.DIHEDRAL>
-26.8917

>  <SCORE.INTRA.DIHEDRAL.0>
29.7292

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.53233

>  <SCORE.INTRA.VDW.0>
1.43288

>  <SCORE.INTRA.norm>
-0.873637

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
-0.0361374

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.083694

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  196.6186  218.9900  253.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9519  220.0811  253.6836 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1812  220.0480  254.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4053  218.9231  254.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6648  218.2530  253.6805 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1277  216.9831  253.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2495  216.4847  254.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9778  215.7788  255.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0056  215.3472  256.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3000  216.4787  256.8539 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5595  218.6329  255.8315 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4821  219.5514  256.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1773  220.6489  256.9488 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0950  220.9927  255.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7698  222.0161  256.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5821  219.2385  257.8048 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7037  216.1419  257.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8928  217.8748  255.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0666  218.3754  257.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.5205  219.8631  258.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
175.11495944,-84.41069039,176.41321754,-55.39604520,-179.55978398,195.13290868
218.58817344,255.38384341,-0.76139994,-0.94976622,-2.47501923

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446481/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.58201

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-3.81799

>  <SCORE.INTRA.DIHEDRAL>
2.49421

>  <SCORE.INTRA.DIHEDRAL.0>
2.5739

>  <SCORE.INTRA.POLAR>
-1.59598

>  <SCORE.INTRA.POLAR.0>
-0.0285352

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.36125

>  <SCORE.INTRA.VDW.0>
-0.693997

>  <SCORE.INTRA.norm>
-0.238624

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.348876

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002799

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 28  0  0  0  0  0  0  0  0999 V2000
  189.7546  216.8402  244.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8035  216.5481  243.2773 N   0  3  1  0  0  0  0  0  0  0  0  0
  190.3573  217.1221  241.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4617  217.6051  241.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8929  217.0837  241.3687 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.2756  216.4651  242.7435 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2199  217.0113  243.7211 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.5201  218.5888  243.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4662  219.1354  242.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6126  218.3720  241.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4767  218.5932  240.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2381  219.7327  240.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1892  220.5235  241.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3154  220.2308  242.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0606  220.1589  239.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4056  220.2892  238.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4788  217.5769  239.5877 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5866  216.5324  240.1119 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.3411  215.1958  240.3222 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.9170  214.4283  241.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8406  215.0616  242.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0981  214.3287  239.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8109  215.1675  243.1258 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.4544  214.7786  238.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6 21  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  6  0  0  0
 20 21  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  2   2   1  23  -1
M  END
>  <CHROM.1>
54.80481152,61.83938591,193.28917266,217.46482812,241.54344127,2.78891156
-0.80677937,-2.79155122

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446490/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.20545

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-1.19455

>  <SCORE.INTRA.DIHEDRAL>
1.11194

>  <SCORE.INTRA.DIHEDRAL.0>
2.11009

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.75052

>  <SCORE.INTRA.VDW.0>
2.10221

>  <SCORE.INTRA.norm>
-0.0519371

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.226324

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000070

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  211.9951  184.5465  244.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9958  184.7014  246.0782 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.6752  185.3525  246.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5138  186.7326  245.8481 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.5410  186.5683  244.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8670  185.9264  243.8805 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0391  186.8222  244.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0213  187.0017  245.8596 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.1694  185.6023  246.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6762  187.6691  246.2645 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.6197  187.9801  247.6959 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7469  189.2120  248.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5069  190.5476  247.6301 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.1596  189.3417  249.5294 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4473  188.3831  250.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3138  187.2232  249.8372 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8508  188.8504  251.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1591  187.9382  252.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5384  188.2133  253.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8175  187.3217  254.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3806  188.0053  255.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8685  189.2895  255.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5534  189.4223  254.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8113  190.4868  256.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1581  190.5374  257.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1703  191.7309  258.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8220  192.8681  257.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4586  192.8315  256.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4495  191.6542  255.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4040  191.8722  259.6762 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.3709  189.1353  258.0456 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.1551  187.2858  248.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2246  190.2749  249.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-133.30931109,-179.54255211,-179.60388999,0.71191015,209.66864215,188.73151968
251.53583457,0.85002052,-0.99241185,-2.53198561

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446491/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.06126

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-2.33874

>  <SCORE.INTRA.DIHEDRAL>
-6.36075

>  <SCORE.INTRA.DIHEDRAL.0>
7.5924

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.841629

>  <SCORE.INTRA.VDW.0>
-2.16496

>  <SCORE.INTRA.norm>
-0.0754434

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.227782

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 43  0  0  0  0  0  0  0  0999 V2000
  201.8744  214.9315  251.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0008  213.7668  251.8633 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7530  212.5458  252.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8690  211.2698  252.2657 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6551  211.4491  253.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6567  212.3758  252.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4438  212.4662  253.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2746  211.5844  254.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2627  210.6914  254.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4454  210.6152  254.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0921  211.4515  255.2775 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2537  213.2309  252.9256 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.1994  212.2473  252.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8015  210.9894  252.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8710  210.2690  252.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3352  210.8035  250.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6693  212.0918  250.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5789  212.7785  251.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0761  214.0634  251.0456 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.2791  214.2742  251.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0974  215.3255  251.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3740  216.2779  250.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0575  216.2496  250.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4404  215.0381  250.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4614  217.2068  250.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4652  218.4281  249.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6616  219.0668  249.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8653  218.4890  249.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9014  217.2994  250.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6895  216.6740  250.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4466  215.5224  251.5303 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6294  213.9334  254.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4628  210.8875  250.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5557  213.6577  250.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5247  212.2321  255.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1185  214.9015  251.9614 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2323  214.6688  254.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9176  210.0881  251.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 35  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 31  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
M  CHG  1  19   1
M  END
>  <CHROM.1>
178.88534803,-51.02781268,65.11158022,179.68567873,104.67141006,-19.00533443
73.02729153,197.47950783,213.72714338,251.88538869,-1.21852759,0.10408850
2.64755504

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446493/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.34122

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-6.05878

>  <SCORE.INTRA.DIHEDRAL>
-1.88731

>  <SCORE.INTRA.DIHEDRAL.0>
4.68275

>  <SCORE.INTRA.POLAR>
-1.24307

>  <SCORE.INTRA.POLAR.0>
-0.350565

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.888686

>  <SCORE.INTRA.VDW.0>
-2.84968

>  <SCORE.INTRA.norm>
-0.183599

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.101249

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000591

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  194.4748  216.2010  254.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7609  216.6320  255.8001 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3056  217.8528  256.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5816  217.8033  257.4492 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1461  216.5968  257.9515 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6367  215.9108  256.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0817  214.2720  257.0592 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2987  214.4555  257.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5535  215.1312  256.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8296  214.5252  255.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6728  216.6156  256.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1713  217.4505  257.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2819  218.8089  256.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8782  219.3425  255.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0739  220.8258  255.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0720  221.0146  256.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7908  219.8924  257.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3522  218.5376  254.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2592  217.1669  254.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5618  219.0072  255.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2979  220.1076  255.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5122  221.2301  254.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0123  221.2536  253.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2955  220.1759  253.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0525  219.0775  253.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2429  222.6337  252.6184 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-170.77213284,-94.10295110,63.68196992,104.46304006,-15.40987564,193.91815136
218.20633110,255.63572256,-1.97769385,0.05754344,-0.40072663

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446494/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.56261

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-5.83739

>  <SCORE.INTRA.DIHEDRAL>
-1.96566

>  <SCORE.INTRA.DIHEDRAL.0>
8.68097

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.85456

>  <SCORE.INTRA.VDW.0>
-0.505904

>  <SCORE.INTRA.norm>
-0.224515

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.175485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  220.6809  185.2277  245.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2684  185.8763  243.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7458  187.3168  244.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4953  188.0672  242.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1148  189.5340  242.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4875  187.3168  244.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3903  187.8463  246.0166 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4563  186.6411  244.3544 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6480  186.6281  244.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
172.28223547,-174.07117825,115.16898479,179.52386652,219.15896405,187.22393836
244.28858487,-1.20391751,0.60349316,-0.71581540

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446495/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24032

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-2.15968

>  <SCORE.INTRA.DIHEDRAL>
-1.08343

>  <SCORE.INTRA.DIHEDRAL.0>
2.179

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.61797

>  <SCORE.INTRA.VDW.0>
1.54796

>  <SCORE.INTRA.norm>
-0.269961

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.780039

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024455

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 70 73  0  0  0  0  0  0  0  0999 V2000
  193.7842  224.8822  242.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2032  224.7268  244.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5422  223.5045  244.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9507  223.3522  246.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2946  222.1212  246.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6932  221.9768  248.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0457  220.7429  248.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4288  220.6183  250.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7855  219.3830  250.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1566  219.2512  252.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5133  217.9969  252.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8363  217.8120  254.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1607  216.5282  254.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5202  216.2035  256.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6092  216.0664  257.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0748  215.5714  258.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2171  215.4037  259.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4110  215.3593  258.7357 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0499  214.0806  258.3062 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5013  214.1875  257.8957 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.4010  214.3892  259.0979 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1885  213.2354  260.1034 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.7764  213.0993  260.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8574  212.8920  259.2928 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0338  211.5415  258.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2040  211.0505  257.6492 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2440  209.4867  257.3198 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.6416  208.6910  258.5005 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.1528  209.1453  258.7080 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.1560  210.6960  258.8402 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8125  211.3840  257.7592 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8871  211.5362  259.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3105  211.2332  260.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3514  208.6418  257.6401 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7449  207.2742  258.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5053  208.9471  256.7886 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9431  209.2764  255.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3435  210.0823  254.8087 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2552  208.6694  255.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8093  211.8582  259.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3484  210.6914  260.6350 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.8143  209.3072  260.1980 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3282  209.0455  260.2529 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3522  207.5592  259.9803 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1405  207.0940  260.8077 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2267  208.2127  260.9498 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5203  205.9039  260.2514 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5329  204.6998  260.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8371  203.6458  260.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1051  203.7648  259.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5804  202.7712  258.7109 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0424  205.0027  258.6836 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6973  206.1061  259.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5276  207.2018  258.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2906  207.3079  258.5648 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9567  209.3781  261.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8421  210.8155  261.9701 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7294  214.6225  258.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6526  215.2348  256.9289 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8890  215.9552  259.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.5236  211.7932  260.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6960  209.0315  256.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4055  206.8564  259.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9169  208.1515  257.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4942  205.1214  257.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3202  206.3576  258.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6548  210.2528  261.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4553  211.6276  262.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0129  213.8517  258.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3190  216.0480  257.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 60  1  0  0  0  0
 19 18  1  1  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 59  1  6  0  0  0
 21 22  1  0  0  0  0
 21 58  1  6  0  0  0
 22 23  1  0  0  0  0
 22 40  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 26 25  1  1  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  1  1  0  0  0
 28 29  1  0  0  0  0
 28 35  1  6  0  0  0
 29 30  1  0  0  0  0
 29 34  1  6  0  0  0
 30 31  1  0  0  0  0
 30 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 63  1  0  0  0  0
 36 37  1  0  0  0  0
 36 64  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 41 40  1  6  0  0  0
 41 57  1  0  0  0  0
 42 41  1  1  0  0  0
 42 46  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 56  1  1  0  0  0
 44 45  1  0  0  0  0
 44 55  1  6  0  0  0
 45 46  1  0  0  0  0
 45 47  1  6  0  0  0
 47 53  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 65  1  0  0  0  0
 53 54  2  0  0  0  0
 55 66  1  0  0  0  0
 56 67  1  0  0  0  0
 57 68  1  0  0  0  0
 58 69  1  0  0  0  0
 59 70  1  0  0  0  0
M  END
>  <CHROM.1>
-179.49971449,-179.47560247,-179.49895678,-179.62607651,-179.01521973,-179.77158765
-179.75136833,-179.15632938,-179.49919044,-179.56079787,175.05352251,121.77364690
-178.57912041,-84.73630125,151.33206456,57.80647305,-60.71799267,-169.12973716
-59.49013140,-167.50599413,-69.26135369,175.78498353,-61.63780908,61.30112545
-179.56115046,173.14048924,65.46592365,63.52913312,-45.90197434,179.03050764
114.01068294,194.33973910,212.54126937,256.72083276,-1.78965275,-1.02652582
2.27703199

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446496/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.57483

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.481356

>  <SCORE.INTRA>
-30.9748

>  <SCORE.INTRA.DIHEDRAL>
-26.232

>  <SCORE.INTRA.DIHEDRAL.0>
34.6022

>  <SCORE.INTRA.POLAR>
-1.1007

>  <SCORE.INTRA.POLAR.0>
-0.453262

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-14.1165

>  <SCORE.INTRA.VDW.0>
3.44819

>  <SCORE.INTRA.norm>
-0.524997

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
59

>  <SCORE.norm>
-0.0436412

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003620

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  195.1661  214.9173  254.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2221  213.7692  255.5127 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2160  212.7806  255.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2719  211.5036  255.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9229  210.9198  255.9834 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9194  211.8633  256.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8920  213.1227  255.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7302  209.5525  256.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9926  208.8816  257.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8658  207.5028  257.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4702  206.7463  256.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1933  207.3380  255.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3296  208.7447  255.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1338  209.3696  253.8820 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.8222  206.5048  254.0204 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7134  205.1335  254.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9501  204.4744  255.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3577  205.2818  256.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5939  204.7369  257.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7945  203.0043  255.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9819  202.3358  256.4189 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4156  202.4486  254.2418 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5471  207.1720  252.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6729  207.1466  251.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7780  207.7592  252.1893 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.3663  209.5573  258.4541 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.3077  201.4666  254.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 11 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
71.56000190,99.59512054,-179.40210871,-179.62515583,-59.62673514,194.57212202
208.19655533,255.32275106,0.37652069,-1.43174568,-1.15441550

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446497/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.60288

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-3.79712

>  <SCORE.INTRA.DIHEDRAL>
-0.170167

>  <SCORE.INTRA.DIHEDRAL.0>
2.97577

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.71204

>  <SCORE.INTRA.VDW.0>
1.5552

>  <SCORE.INTRA.norm>
-0.146043

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.215495

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005638

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  199.1085  203.0398  257.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5690  203.3719  255.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8230  202.9354  255.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3687  203.3813  254.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5823  204.2476  253.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3161  204.6759  253.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8216  204.2367  255.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7707  202.9811  253.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5767  202.3885  254.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9724  202.1311  256.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6620  201.9309  257.0121 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6214  202.1501  256.1291 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0808  201.9953  254.6777 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4536  200.6911  253.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1191  200.6542  252.7925 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0919  199.3567  252.3564 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4523  198.5794  253.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0232  199.3977  254.2062 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9279  198.8972  255.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4683  199.1630  254.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2494  199.6666  253.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0260  200.2336  253.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9598  200.3000  253.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1041  199.6919  255.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3546  199.1246  255.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9411  201.0709  253.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6607  201.0708  254.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0460  203.1235  254.5064 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9323  203.6924  253.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6335  205.0131  252.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7358  205.2969  253.8808 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.2219  205.1983  255.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1783  204.0874  255.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8159  204.3970  253.6464 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2850  201.8899  257.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5284  204.6176  254.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 35  1  0  0  0  0
 13  9  1  6  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
-79.50304650,108.56144647,-66.75653521,66.38122281,12.53132622,167.33026412
177.66730877,203.10914966,202.01979950,254.42441682,2.96935436,-0.13585408
-2.99106962

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446498/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.61697

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-6.78303

>  <SCORE.INTRA.DIHEDRAL>
-2.67934

>  <SCORE.INTRA.DIHEDRAL.0>
6.92069

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.44336

>  <SCORE.INTRA.VDW.0>
-3.11278

>  <SCORE.INTRA.norm>
-0.199501

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.135793

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000087

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  181.4604  212.0505  257.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8081  213.1479  257.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8558  213.6667  256.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1859  214.7141  255.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4719  215.2803  255.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4284  214.7872  256.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1037  213.7020  257.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7399  215.3084  256.2995 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2817  216.3418  255.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9343  216.3779  255.3169 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.3930  217.2957  255.1547 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.6771  218.2486  254.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9395  219.5791  254.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4560  219.4271  254.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5683  219.7180  253.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2030  219.5661  253.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7643  219.1278  254.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7138  218.8625  255.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0412  219.0099  255.5877 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.1651  215.2380  254.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4073  214.7728  256.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.6197  217.4940  255.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
0.71775349,-151.84291411,-51.22154965,-107.72684997,182.86019562,216.55383269
255.36746687,1.46872513,0.02222936,2.74258124

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446499/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.85577

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-4.54423

>  <SCORE.INTRA.DIHEDRAL>
-4.84131

>  <SCORE.INTRA.DIHEDRAL.0>
7.53029

>  <SCORE.INTRA.POLAR>
-0.566239

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.198355

>  <SCORE.INTRA.VDW.0>
-1.83459

>  <SCORE.INTRA.norm>
-0.227211

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.242789

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  211.4655  185.9721  241.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6213  186.7942  240.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6909  187.8008  241.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0915  187.2103  242.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4860  186.0726  243.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6106  185.2282  242.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6480  185.8499  244.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7534  184.8973  245.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7830  186.8988  244.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9786  187.7510  243.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3823  188.7778  243.2283 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7773  187.0802  245.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4020  187.4742  246.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2507  188.7486  246.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5938  188.4357  246.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4445  189.6803  245.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7180  189.3304  245.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8483  189.4198  245.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4811  188.8935  243.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2882  188.6595  243.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
72.44435591,56.97767930,-76.16926060,174.56515191,-176.22288898,-113.65434069
-179.80140900,209.50842315,187.51926380,244.22275131,-1.03129609,0.45882120
0.98243497

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446500/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.85631

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.54369

>  <SCORE.INTRA.DIHEDRAL>
1.20827

>  <SCORE.INTRA.DIHEDRAL.0>
3.54804

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.14783

>  <SCORE.INTRA.VDW.0>
0.181102

>  <SCORE.INTRA.norm>
-0.133879

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.466121

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  189.1442  211.8684  256.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6068  212.0430  257.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3406  210.9334  258.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5922  209.6555  257.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0993  209.4651  256.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3932  210.5837  255.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2396  208.1160  256.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2475  207.2140  256.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8477  207.4048  256.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3336  208.4467  256.9327 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1782  206.2131  256.5146 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8153  205.1403  255.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1090  203.6541  255.7906 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.4420  205.5870  255.5141 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.3218  208.5984  258.7054 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.2158  206.1678  256.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
50.93697119,187.83868060,207.74018104,256.61131840,-1.17633933,-0.64962495
-2.66478936

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446501/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.44693

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-1.95307

>  <SCORE.INTRA.DIHEDRAL>
-4.64059

>  <SCORE.INTRA.DIHEDRAL.0>
12.7804

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.367228

>  <SCORE.INTRA.VDW.0>
-1.28059

>  <SCORE.INTRA.norm>
-0.130204

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.296462

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000105

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  181.8967  213.3852  254.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5738  212.1808  253.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8786  211.6860  253.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9238  210.5085  253.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6268  210.2893  252.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8480  211.3239  253.0430 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.0196  209.1841  251.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0476  209.6279  252.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9004  208.4589  252.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2637  210.2057  252.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3620  209.3354  252.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0046  212.2758  254.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1602  213.4901  254.7393 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9869  211.3577  255.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3056  211.8323  255.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3208  211.0147  256.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0216  209.7268  256.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7057  209.2722  256.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6625  210.0691  255.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2730  209.4595  255.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1972  210.3156  256.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8515  210.1063  256.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8507  210.9026  256.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1821  211.9178  257.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5164  212.1441  257.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5190  211.3492  257.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8662  211.4338  252.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-38.22931859,154.46363800,177.93884482,151.32909196,-51.82383046,157.65832051
184.30897557,210.81445202,254.80916402,2.86769997,-0.18993494,1.22586854

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446502/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86783

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-4.53217

>  <SCORE.INTRA.DIHEDRAL>
-3.23833

>  <SCORE.INTRA.DIHEDRAL.0>
13.603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.913

>  <SCORE.INTRA.VDW.0>
-1.56038

>  <SCORE.INTRA.norm>
-0.174314

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.264147

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000175

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  213.5397  182.8945  257.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6337  183.1736  256.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9123  184.5530  255.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0020  184.8385  254.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2805  186.2203  253.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3745  186.5051  252.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6466  187.8831  252.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7872  188.1138  250.9856 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9806  189.3288  250.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7729  190.1784  250.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0761  189.5398  249.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1452  190.7729  248.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2639  191.0607  247.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3225  190.0994  247.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2532  188.8624  247.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1345  188.5832  248.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4052  190.3960  246.0317 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.4995  191.4968  245.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5892  189.5141  245.7115 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
>  <CHROM.1>
-179.95851742,179.90528311,179.84607151,179.87923260,179.46529721,-179.90593378
-0.78386553,178.23872358,210.35557158,188.07582308,250.62201006,1.01486913
0.72113504,2.55562748

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446503/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.1985

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.705263

>  <SCORE.INTRA>
-1.20152

>  <SCORE.INTRA.DIHEDRAL>
-1.98161

>  <SCORE.INTRA.DIHEDRAL.0>
1.99413

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.210717

>  <SCORE.INTRA.VDW.0>
0.616522

>  <SCORE.INTRA.norm>
-0.063238

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.642025

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003484

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  203.7399  188.7557  247.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9979  188.3748  245.7066 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2057  189.3020  244.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4544  188.6323  243.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3738  187.2553  243.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1176  187.0961  245.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9671  185.8504  245.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4457  185.7812  247.0518 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4438  184.5781  245.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2911  184.5998  244.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6405  183.4022  243.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1920  182.1845  244.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3963  182.1575  245.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0235  183.3518  245.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6994  183.4482  242.0103 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
15.74331976,14.91296054,205.06083481,185.13517367,244.20108655,2.41268446
1.02854760,-0.17776599

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446504/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19713

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-1.20287

>  <SCORE.INTRA.DIHEDRAL>
-5.17301

>  <SCORE.INTRA.DIHEDRAL.0>
6.85512

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.38363

>  <SCORE.INTRA.VDW.0>
-0.794856

>  <SCORE.INTRA.norm>
-0.0801916

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.413142

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001146

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  190.7835  220.3524  255.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7442  221.4616  255.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9080  220.8545  256.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2141  222.2613  254.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9837  223.5310  254.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4333  224.3116  253.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2243  225.5929  253.6926 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6014  225.2694  254.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4192  226.4902  252.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1243  227.0767  251.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5098  227.8983  252.8853 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6896  228.2545  252.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
170.14510106,-179.70317739,-179.48637098,69.05914017,65.87876384,61.34480482
179.96131598,193.07142894,224.14398373,253.99783503,1.85341453,0.25681521
2.64847389

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446505/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.5091

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
-0.890932

>  <SCORE.INTRA.DIHEDRAL>
0.88142

>  <SCORE.INTRA.DIHEDRAL.0>
0.135366

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.33164

>  <SCORE.INTRA.VDW.0>
1.74879

>  <SCORE.INTRA.norm>
-0.0809938

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.95537

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003182

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  199.6359  189.2248  241.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1843  189.0447  242.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6239  188.6779  242.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6906  187.3831  243.6637 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8656  187.3605  245.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0029  188.3422  245.7495 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8767  185.9533  245.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9671  185.5477  246.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0555  186.4679  247.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0771  187.4397  248.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1614  188.2137  249.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2136  188.0282  250.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1919  187.0793  250.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1249  186.3069  248.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4896  186.8403  251.1108 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.9667  189.4033  249.7665 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.0209  187.6500  247.3730 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7388  184.8642  244.2103 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.6135  186.1636  243.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4432  185.8500  241.3962 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.8903  186.8746  246.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-117.95062800,-98.24604610,57.86328545,20.18408203,201.69062814,187.21448448
246.40078169,1.83574754,0.86362303,-1.86970697

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446514/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.76598

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-1.63402

>  <SCORE.INTRA.DIHEDRAL>
-3.43538

>  <SCORE.INTRA.DIHEDRAL.0>
15.1479

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0836761

>  <SCORE.INTRA.VDW.0>
-1.97222

>  <SCORE.INTRA.norm>
-0.0817008

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.338299

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000092

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  193.4435  217.7228  263.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7767  216.4344  263.7310 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0648  216.6028  265.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0368  216.1053  266.2788 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0038  215.1200  265.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6687  215.3868  264.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8582  215.2888  263.4575 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4212  214.9999  261.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2522  215.8382  261.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7591  216.2713  260.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8041  217.2327  260.6666 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7081  217.4361  262.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0389  218.3938  262.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1938  218.3155  264.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9620  217.3107  264.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6541  216.3929  264.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5083  216.4784  262.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8405  215.5919  267.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7880  216.0986  268.5981 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5853  214.4779  267.2769 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3097  217.7708  259.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0722  214.1473  268.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  1  0  0  0
  5  6  2  0  0  0  0
  6 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
116.67102523,-178.43331728,191.90884699,216.36109418,264.08777401,-2.28005353
-0.52499089,1.44782728

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446515/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.47357

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-1.92643

>  <SCORE.INTRA.DIHEDRAL>
-1.01396

>  <SCORE.INTRA.DIHEDRAL.0>
1.87408

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.41945

>  <SCORE.INTRA.VDW.0>
0.908167

>  <SCORE.INTRA.norm>
-0.0963215

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.223679

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000184

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 38  0  0  0  0  0  0  0  0999 V2000
  197.1682  213.0147  249.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9172  214.4647  249.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5124  214.6675  249.5993 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0968  215.9278  249.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7298  216.0568  250.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1711  217.2833  250.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9871  218.4246  250.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3709  218.3416  250.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9020  217.0694  250.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3293  219.4902  250.7311 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5129  220.7707  249.8319 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.5383  221.4444  250.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3923  222.2353  250.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3654  220.9836  252.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0004  221.3651  253.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4730  219.9292  252.1297 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1969  219.1577  253.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6795  219.9472  254.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3122  220.6283  254.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1543  221.5740  253.2650 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.6926  221.1763  252.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7321  221.7990  252.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8190  222.9018  253.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3779  221.7696  249.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4527  221.8389  250.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4264  222.7717  248.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5948  223.9140  248.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3976  224.6733  247.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1303  224.4070  246.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0866  223.3893  246.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2213  222.5592  247.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0352  225.0793  244.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5076  226.4062  244.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9447  224.4238  249.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9098  214.9648  250.1245 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4818  214.2112  249.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  1  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  1  20   1
M  END
>  <CHROM.1>
179.94715371,-175.75160016,-1.36153176,-75.67745581,21.58788788,-147.36873540
64.78977535,-55.32687638,35.36688972,-162.79905918,22.32972596,195.38639947
220.38552059,250.17678164,0.27136941,1.54117368,-2.20527475

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446516/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3153

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-5.08468

>  <SCORE.INTRA.DIHEDRAL>
-4.36894

>  <SCORE.INTRA.DIHEDRAL.0>
10.1152

>  <SCORE.INTRA.POLAR>
-0.973652

>  <SCORE.INTRA.POLAR.0>
-1.20056

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.410198

>  <SCORE.INTRA.VDW.0>
-2.28175

>  <SCORE.INTRA.norm>
-0.14955

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.303392

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000262

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  217.6277  173.7564  250.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5805  172.3769  250.3552 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.3026  171.6382  250.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8075  170.4399  250.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2163  170.2887  248.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1577  171.3706  248.2207 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.7448  172.5987  248.8843 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.0902  172.7871  248.0814 I   0  0  0  0  0  0  0  0  0  0  0  0
  218.2691  170.6236  249.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8440  169.5659  249.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5552  171.3720  250.4168 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7648  172.2254  247.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6845  173.2877  246.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0060  172.7468  245.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3895  172.2347  245.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5037  171.8969  245.2610 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  6  0  0  0
  7  8  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <CHROM.1>
-157.49562019,58.96378029,-61.45890233,218.29939110,172.15381396,248.36189982
-2.63133498,-0.23620804,-1.33944246

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446517/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.53216

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-2.86784

>  <SCORE.INTRA.DIHEDRAL>
-0.419185

>  <SCORE.INTRA.DIHEDRAL.0>
2.29099

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.65825

>  <SCORE.INTRA.VDW.0>
1.1031

>  <SCORE.INTRA.norm>
-0.17924

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.34576

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002216

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 40  0  0  0  0  0  0  0  0999 V2000
  216.8787  166.8382  254.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9857  167.9098  253.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1928  168.8053  253.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3034  169.8900  252.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5357  170.7435  253.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7050  171.8222  252.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9553  172.6351  252.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1614  173.7335  251.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4226  174.5286  251.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6583  175.6613  250.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9140  176.4950  250.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0873  177.6322  249.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0365  177.7294  249.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0831  178.5352  250.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0060  179.7263  249.2103 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.1447  180.6879  249.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5167  181.6220  250.5483 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.1011  181.6343  250.3075 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7954  180.6504  249.2951 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.4010  180.0539  249.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4589  179.2924  250.7029 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5847  180.1182  252.2179 P   0  0  1  0  0  0  0  0  0  0  0  0
  219.6407  179.0986  252.8554 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0660  179.4627  252.4440 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7105  180.9439  253.7330 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5454  182.0946  253.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8535  183.1694  252.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0618  184.6711  252.5658 Br  0  0  0  0  0  0  0  0  0  0  0  0
  224.0615  182.9696  250.5323 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7375  183.8650  249.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2079  185.1095  249.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0935  185.5582  250.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5771  186.6853  250.6672 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.3507  184.6179  251.5808 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.9193  183.3151  251.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3047  182.5327  252.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.9045  185.9986  248.5638 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.2096  178.8910  251.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.9609  184.8905  252.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  1  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 35  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <CHROM.1>
-179.66366924,-178.69220742,178.71032310,-179.66872618,-179.62643723,-179.56727727
-178.92766769,179.85813157,-178.30703328,-117.33053736,179.29210329,-65.70364683
74.55149447,57.56825823,70.79752050,141.40971274,-1.66049002,-168.72251073
70.69070521,-174.84107699,222.05036613,179.52363209,251.52013208,1.98493344
-0.71002511,-2.99174185

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446518/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.9101

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.659459

>  <SCORE.INTRA>
-12.4899

>  <SCORE.INTRA.DIHEDRAL>
-6.53178

>  <SCORE.INTRA.DIHEDRAL.0>
15.0126

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.82403

>  <SCORE.INTRA.VDW.0>
-2.83188

>  <SCORE.INTRA.norm>
-0.337565

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.321894

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002635

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 46  0  0  0  0  0  0  0  0999 V2000
  213.4669  184.4294  257.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4460  184.4290  256.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9934  184.5180  255.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8633  185.1493  254.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5346  185.2950  252.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3322  184.7981  252.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4687  184.1522  253.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7932  184.0120  254.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9366  184.8896  251.0137 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7088  184.5535  250.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7541  184.0989  251.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5302  184.8717  248.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6386  186.6296  248.5815 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.2216  187.2340  249.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3156  186.5240  248.8939 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5329  187.1914  249.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5517  188.5396  249.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3859  189.2286  249.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5117  190.3913  250.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1919  188.5468  249.5442 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0904  189.4943  249.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3355  189.6565  251.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7373  188.4374  251.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3559  187.9427  252.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8401  186.8338  253.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7021  186.1990  253.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1106  186.6463  251.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6327  187.7532  251.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7110  189.3434  248.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8418  190.8393  248.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3490  191.0814  248.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6104  190.4597  249.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6499  189.2945  249.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8222  188.6667  247.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3517  187.2705  247.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5954  187.0669  246.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6150  186.5665  247.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3092  186.1434  248.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9522  186.1007  249.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8796  186.6315  248.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6492  185.1955  250.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 40  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <CHROM.1>
150.06501766,-172.61179388,-62.50576902,60.35475172,38.44312702,88.07824510
-51.51071871,107.23629281,214.11598926,187.03868146,250.65772234,-2.33782689
0.08748737,-0.94105969

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446519/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.9217

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335

>  <SCORE.INTRA>
-8.4783

>  <SCORE.INTRA.DIHEDRAL>
0.257654

>  <SCORE.INTRA.DIHEDRAL.0>
7.38064

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.20713

>  <SCORE.INTRA.VDW.0>
-0.242085

>  <SCORE.INTRA.norm>
-0.211958

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.123042

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  180.4569  213.6639  264.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6934  214.4289  263.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9947  214.2444  262.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2429  215.0416  261.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6003  214.9006  260.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8602  215.6936  260.0429 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.3481  215.5406  258.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7030  216.1558  258.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6878  215.5520  257.9544 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7219  217.4905  258.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6606  217.0756  260.3392 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5885  217.9085  258.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.4506  217.5563  260.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
179.71715809,-179.99819052,-179.62705278,176.21863549,-170.40900177,-175.53324245
120.91083699,-179.08652154,184.31707913,215.48922430,260.56657162,-3.01036091
0.78950098,0.23779546

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446520/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.77924

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
-3.62076

>  <SCORE.INTRA.DIHEDRAL>
0.335016

>  <SCORE.INTRA.DIHEDRAL.0>
1.62319

>  <SCORE.INTRA.POLAR>
-0.799198

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07099

>  <SCORE.INTRA.VDW.0>
0.588328

>  <SCORE.INTRA.norm>
-0.32916

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.707204

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005258

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  197.8522  207.9027  244.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3055  207.7228  246.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1251  207.3978  246.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5625  207.2254  248.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3878  206.9079  249.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1755  205.8144  249.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3167  208.2839  249.5796 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.0421  207.4740  250.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-179.52203310,179.79686242,107.86468869,176.31859013,196.40846694,207.45881498
248.34664443,0.74329035,0.74354375,-0.87355276

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446521/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.97355

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-0.426446

>  <SCORE.INTRA.DIHEDRAL>
0.179036

>  <SCORE.INTRA.DIHEDRAL.0>
1.09602

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.515964

>  <SCORE.INTRA.VDW.0>
0.667374

>  <SCORE.INTRA.norm>
-0.0533058

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.12169

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.065836

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  201.9114  211.4683  239.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1454  212.8506  240.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9345  212.9329  241.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1026  214.1487  242.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5582  215.3288  241.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8248  215.2587  240.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5849  214.0298  239.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7185  214.0834  238.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6830  216.5716  242.2744 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2265  216.5779  243.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7425  215.3083  244.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1195  215.3316  245.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7451  214.1767  243.3736 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3908  217.8275  244.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6034  218.0584  245.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7549  218.9556  245.5351 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8631  217.2502  246.6162 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1591  217.4919  247.7507 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3650  216.7795  248.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5701  217.0916  250.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6307  218.1212  250.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9308  218.3796  251.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1551  217.6461  252.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0895  216.6127  252.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7892  216.3384  251.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3811  217.9720  253.9010 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.9611  219.4545  251.2188 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.3808  220.5784  250.9142 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7834  219.1609  251.4550 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.0855  213.3278  243.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5819  216.5223  246.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <CHROM.1>
111.39874439,-112.35374740,-179.33120604,-0.08082691,201.57904201,216.53093668
246.50454966,-0.98212067,-1.17118886,1.76374950

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446530/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.77626

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-0.623739

>  <SCORE.INTRA.DIHEDRAL>
-0.0511244

>  <SCORE.INTRA.DIHEDRAL.0>
2.11053

>  <SCORE.INTRA.POLAR>
-0.0515859

>  <SCORE.INTRA.POLAR.0>
-0.623917

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.422785

>  <SCORE.INTRA.VDW.0>
-0.689892

>  <SCORE.INTRA.norm>
-0.0215083

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.30263

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 41  0  0  0  0  0  0  0  0999 V2000
  205.5806  215.3210  248.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7691  214.6524  249.4791 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8248  215.2694  250.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3272  215.1531  251.9785 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.6565  214.1829  252.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5192  216.0890  252.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0351  215.9897  253.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9387  216.2928  254.5787 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8281  215.3554  254.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2459  215.4034  253.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7518  217.4134  255.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7519  217.5218  256.1024 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7429  218.5176  255.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4965  219.5750  256.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4152  220.6239  256.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6116  220.6082  255.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8240  219.5750  254.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8566  218.5758  254.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9875  219.5521  254.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8982  219.4563  252.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4419  221.6902  255.8847 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7804  221.4315  256.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2097  221.7050  257.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0109  222.4452  257.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6558  213.2227  249.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8753  212.3746  250.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1127  212.7015  251.4460 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8206  210.9740  249.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4857  210.7049  248.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3535  209.3904  248.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5210  208.3271  248.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8503  208.6040  250.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0164  209.9338  250.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9484  207.5489  251.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9888  207.5541  252.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2528  207.0790  248.4676 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2582  206.0818  248.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0264  209.0837  246.7688 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0409  209.3291  245.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 38  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
-154.04651857,175.50997334,-45.55876394,-177.82790482,-56.24849899,123.84664912
-127.50438751,3.26391583,-4.14887595,70.98885264,125.64785303,140.12748828
206.51338990,214.75717188,252.26111495,-2.09308814,1.24277370,1.04366130

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446531/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.42766

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457895

>  <SCORE.INTRA>
-11.9723

>  <SCORE.INTRA.DIHEDRAL>
6.76571

>  <SCORE.INTRA.DIHEDRAL.0>
15.7666

>  <SCORE.INTRA.POLAR>
-1.49977

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.256

>  <SCORE.INTRA.VDW.0>
12.8482

>  <SCORE.INTRA.norm>
-0.315062

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.142833

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000319

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  205.0390  203.3232  249.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3048  203.9649  250.2675 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1050  202.9861  251.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2719  203.6067  251.6647 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3224  204.5312  248.9019 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.7298  202.9302  252.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
-178.57197443,-179.93410862,206.96259383,203.85834285,250.05310682,2.09009911
-0.29406445,-1.08263311

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446532/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09836

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-0.301639

>  <SCORE.INTRA.DIHEDRAL>
-0.0733563

>  <SCORE.INTRA.DIHEDRAL.0>
0.0846402

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.264961

>  <SCORE.INTRA.VDW.0>
-0.0910062

>  <SCORE.INTRA.norm>
-0.0603279

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.21967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042357

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  218.8843  177.7594  249.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5723  177.7389  250.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9679  177.1208  251.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5670  177.1770  253.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8185  177.7889  253.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4442  178.3685  252.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8210  178.3476  251.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4572  178.1748  255.0105 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.8302  177.2264  255.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8960  178.0825  254.7987 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1291  179.8004  255.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4439  180.7754  255.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5642  182.1967  255.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9578  183.2804  254.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2189  180.4729  253.6051 Br  0  0  0  0  0  0  0  0  0  0  0  0
  221.6686  179.9929  257.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9291  179.6423  257.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8535  180.7521  258.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
26.25753957,-1.15903389,47.62818151,-178.65869856,220.43354562,179.35078614
254.13365514,2.08576356,0.94371786,-2.43555529

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446533/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.73753

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.662471

>  <SCORE.INTRA.DIHEDRAL>
-0.238779

>  <SCORE.INTRA.DIHEDRAL.0>
7.63039

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.543082

>  <SCORE.INTRA.VDW.0>
-1.43101

>  <SCORE.INTRA.norm>
-0.0368039

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.485418

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  188.5092  206.7989  261.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3421  206.7651  259.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6514  207.8939  259.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0686  209.1195  259.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3047  209.0856  260.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0268  207.9480  261.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1501  210.4080  258.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4171  211.5412  259.5129 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3550  212.7574  258.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6352  214.0162  259.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4843  215.1832  258.7501 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0896  215.1179  257.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8463  213.9898  256.8432 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0005  212.8526  257.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7939  211.7492  256.8080 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8808  210.5510  257.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6481  209.5232  256.5138 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8751  216.2982  256.8099 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0366  214.1597  260.7402 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3809  208.8271  256.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.7504  209.1133  256.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.0337  216.2526  256.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.7193  216.5960  256.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4597  214.8367  261.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0487  213.2389  261.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <CHROM.1>
172.43505128,-127.44156925,-137.44224236,-51.87435727,189.05850619,211.42773701
258.79512437,-1.84512209,-1.34501142,-0.58250417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446534/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.18485

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-0.21515

>  <SCORE.INTRA.DIHEDRAL>
-0.303875

>  <SCORE.INTRA.DIHEDRAL.0>
1.73945

>  <SCORE.INTRA.POLAR>
-0.0545264

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.122177

>  <SCORE.INTRA.VDW.0>
-1.00937

>  <SCORE.INTRA.norm>
-0.0113237

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.483413

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003350

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  186.8584  211.7615  248.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2038  211.8143  248.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0387  212.7840  248.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5359  213.7199  249.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1849  213.6359  249.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3502  212.6669  249.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4606  214.7241  250.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1192  215.6713  250.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1059  216.6877  251.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2326  216.8219  250.9580 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5080  217.4714  252.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3395  218.4706  252.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4907  217.8671  253.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6725  218.0495  253.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1007  217.0317  254.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3166  215.8894  254.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9737  214.9866  253.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1425  215.0677  253.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0356  213.9127  253.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4255  212.9392  252.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5696  211.8401  252.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0989  210.9089  251.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3036  209.8833  250.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9653  209.7766  251.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4234  210.7000  251.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2183  211.7253  252.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-179.61484249,5.19161868,176.57488334,-64.00774475,117.09211918,61.58142428
64.13150014,2.71289807,175.77137963,178.31306501,189.59418782,214.22438320
251.67969888,2.54947002,1.02823151,2.76864695

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446536/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.74449

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.592308

>  <SCORE.INTRA>
-9.65551

>  <SCORE.INTRA.DIHEDRAL>
-9.00537

>  <SCORE.INTRA.DIHEDRAL.0>
12.2318

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.15282

>  <SCORE.INTRA.VDW.0>
0.0555832

>  <SCORE.INTRA.norm>
-0.371366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.220942

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.124752

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 12  0  0  0  0  0  0  0  0999 V2000
  206.9028  194.1803  245.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9761  195.2899  244.2148 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5705  195.1583  243.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7687  194.7970  244.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6290  194.7396  245.9116 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.0746  196.1906  246.2848 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0455  196.5653  245.0976 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4512  196.8717  245.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5213  198.4504  246.4518 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.8998  197.1574  246.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4533  198.7458  247.0313 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  6  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  6  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
174.19746976,172.34609468,206.53614209,196.75734478,245.80789517,-1.86739912
0.15039199,0.53146305

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446537/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.42671

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
0.026712

>  <SCORE.INTRA.DIHEDRAL>
0.218681

>  <SCORE.INTRA.DIHEDRAL.0>
0.209143

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0826287

>  <SCORE.INTRA.VDW.0>
-1.19833

>  <SCORE.INTRA.norm>
0.00242836

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.675156

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002398

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 45  0  0  0  0  0  0  0  0999 V2000
  194.3870  228.9563  251.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8106  228.8663  253.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1884  227.4956  253.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5734  227.4160  254.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9880  226.0307  255.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4371  225.9271  256.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9589  224.5108  256.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1283  223.5334  256.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5930  222.1257  256.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7685  221.6463  255.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6002  221.3050  255.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5560  221.4678  254.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0089  220.9461  253.4871 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.7914  219.4216  253.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2661  218.8120  252.2416 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.0939  219.3685  251.0355 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.7907  220.9653  250.9344 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4283  221.7688  252.1521 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.1339  223.2842  252.5915 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3988  223.7614  253.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4947  222.9741  252.7289 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7767  222.3079  251.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8877  222.8458  250.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7655  222.7911  249.3886 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.2305  221.4087  249.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2747  222.9291  248.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5945  223.7302  252.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1876  224.5638  253.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8800  224.6756  254.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3314  225.3021  252.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0692  223.5084  253.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8350  223.1697  253.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5931  222.6737  251.9902 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8104  223.4086  254.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6016  219.0694  251.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7109  218.5137  249.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8646  216.9719  249.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4488  216.2755  248.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2048  215.7826  248.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4383  216.2826  247.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2683  215.7397  246.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7393  218.9649  252.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6869  223.8040  247.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  6  0  0  0
 16 17  1  0  0  0  0
 16 35  1  1  0  0  0
 16 36  1  0  0  0  0
 17 25  1  6  0  0  0
 17 18  1  0  0  0  0
 18 22  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  6  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  6  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
>  <CHROM.1>
-178.38498233,-178.45307178,177.08259477,-175.36453211,68.28673544,-175.87690511
64.12440291,-120.43023900,176.95094619,-77.33281537,-55.49679140,-63.70090374
59.59951560,-62.94354235,2.24426757,1.89111820,179.05779285,-94.71896162
-178.99040827,191.65197779,222.24738974,252.42632049,-1.18619341,-0.89341132
-2.29039670

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446546/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7753

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.557143

>  <SCORE.INTRA>
-12.6247

>  <SCORE.INTRA.DIHEDRAL>
-19.0018

>  <SCORE.INTRA.DIHEDRAL.0>
26.009

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.12387

>  <SCORE.INTRA.VDW.0>
-2.57713

>  <SCORE.INTRA.norm>
-0.300589

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.256554

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000973

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 29  0  0  0  0  0  0  0  0999 V2000
  216.2655  184.1069  244.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0422  184.1309  245.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0517  185.0202  244.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2269  185.9252  243.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4928  185.8694  243.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4871  184.9717  243.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7741  186.7113  242.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8343  187.6241  241.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1693  188.4435  240.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2438  189.3698  240.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9520  189.5155  240.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9715  190.4268  240.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7152  190.5163  240.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4018  189.6967  241.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3394  188.7806  242.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0007  187.9658  243.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9154  187.0413  243.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2268  186.8716  243.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5572  187.7187  242.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6225  188.6728  241.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4816  186.2840  244.9244 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6774  190.1859  238.9359 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.0299  189.5881  237.9101 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6961  191.4139  239.0939 O   0  5  0  0  0  0  0  0  0  0  0  0
  210.5716  186.5262  245.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
>  <CHROM.1>
-0.06157379,213.63485787,187.82786168,242.06870280,-1.37623500,0.36702343
-0.82701657

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446547/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.225

>  <SCORE.INTRA>
-2.99433e-06

>  <SCORE.INTRA.DIHEDRAL>
-2.73401e-05

>  <SCORE.INTRA.DIHEDRAL.0>
3.03435e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.06757e-05

>  <SCORE.INTRA.VDW.0>
0.565556

>  <SCORE.INTRA.norm>
-1.24764e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.225

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019697

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  209.6910  194.1429  255.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3540  193.8876  254.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2523  193.7722  255.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3958  193.7828  253.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8058  195.0475  252.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9679  195.1457  251.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9786  194.0854  251.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9135  194.6768  250.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5393  195.9710  250.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1902  196.7557  249.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3567  196.2925  251.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5743  196.5232  252.5646 Si  0  0  0  0  0  0  0  0  0  0  0  0
  208.1469  197.6865  253.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5063  197.4354  250.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8392  195.9243  252.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
-64.55602562,112.52639830,96.95899821,209.14889860,195.52086553,252.42004090
-2.54131082,0.48006699,-0.78582573

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446548/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.55945

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-0.840545

>  <SCORE.INTRA.DIHEDRAL>
-1.23835

>  <SCORE.INTRA.DIHEDRAL.0>
2.51926

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.22137

>  <SCORE.INTRA.VDW.0>
-1.52468

>  <SCORE.INTRA.norm>
-0.0560364

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.503964

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022318

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  197.2434  222.0735  242.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5791  221.7643  241.7371 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.5229  221.1047  242.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3393  220.4012  243.5093 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3224  219.7203  244.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9377  219.0087  245.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8675  218.2755  246.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2112  218.2895  245.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6147  219.0019  244.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6716  219.7053  243.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2015  217.5722  246.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3898  217.5984  246.2415 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7347  216.8195  247.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6600  216.1671  248.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2170  215.4258  249.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8528  215.3252  249.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9292  215.9846  249.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3740  216.7430  248.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3940  217.4719  247.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1949  217.4114  247.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9582  222.4607  240.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3965  220.3244  243.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-178.93458148,200.99307894,218.56644202,245.64711609,1.98035376,0.13924299
-0.94572207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446549/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.48461

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.304762

>  <SCORE.INTRA>
-0.915393

>  <SCORE.INTRA.DIHEDRAL>
-2.149

>  <SCORE.INTRA.DIHEDRAL.0>
2.16293

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.159105

>  <SCORE.INTRA.VDW.0>
-0.0579257

>  <SCORE.INTRA.norm>
-0.0435901

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.261172

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012470

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  212.0301  190.0379  243.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5645  191.3065  243.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7561  192.4385  243.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4007  192.2723  243.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8585  191.0128  242.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6844  189.8920  243.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5155  193.4358  243.1492 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.4431  193.6405  242.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8936  194.7949  242.7710 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6167  195.3831  243.7703 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5560  194.5374  244.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6070  194.6460  245.4244 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.7965  193.6662  246.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3026  192.3752  246.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9768  191.3463  246.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0898  192.4806  245.4018 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6287  191.3915  244.7221 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6166  191.5554  243.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0773  190.4102  243.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9687  190.6208  242.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4330  189.5550  241.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9941  188.2820  241.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0976  188.0708  242.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6415  189.1302  243.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7305  188.8354  244.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9227  192.8508  241.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7427  191.9289  240.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2390  191.1801  239.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9274  191.3676  238.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1188  192.3100  239.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6146  193.0530  240.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1024  190.1820  238.7694 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.2197  189.9939  239.2703 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6580  189.5939  237.7775 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.0984  195.2661  242.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.5524  193.3395  245.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.0034  189.6518  244.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 37  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  CHG  3   7   1  32   1  34  -1
M  END
>  <CHROM.1>
145.87875626,-17.44202912,-79.21339600,43.57613799,96.17081244,-169.11589397
178.89978950,1.55772685,208.54043287,191.67874269,242.71916096,-0.99137699
-0.49728612,-1.88786981

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446550/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64638

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-5.75362

>  <SCORE.INTRA.DIHEDRAL>
0.344712

>  <SCORE.INTRA.DIHEDRAL.0>
11.4878

>  <SCORE.INTRA.POLAR>
2.02747e-05

>  <SCORE.INTRA.POLAR.0>
-0.879884

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.92605

>  <SCORE.INTRA.VDW.0>
-2.83862

>  <SCORE.INTRA.norm>
-0.169224

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.195482

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  196.9091  221.6859  256.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7321  220.1641  256.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1696  219.8285  257.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3777  219.5801  255.8547 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7340  220.1224  254.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3472  219.4914  253.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2177  219.9196  254.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1720  217.8778  256.1183 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.0084  217.8441  257.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5779  216.7086  257.9443 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6446  216.9268  258.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9459  215.9179  259.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9834  216.2696  260.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7343  217.6118  260.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4369  218.6328  260.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3869  218.2667  259.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3896  219.2523  258.2043 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
44.25537994,78.31512828,112.28758072,179.42055112,193.99605210,218.64658323
257.35498087,-0.67668726,0.67603685,1.45518218

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446551/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.13897

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-4.26103

>  <SCORE.INTRA.DIHEDRAL>
-0.0248917

>  <SCORE.INTRA.DIHEDRAL.0>
1.24363

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.24858

>  <SCORE.INTRA.VDW.0>
3.72015

>  <SCORE.INTRA.norm>
-0.250649

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.302292

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  196.1264  213.5615  257.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0288  215.0088  257.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8073  215.9655  257.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7477  217.3455  257.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8634  217.7993  258.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0998  216.7941  259.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1734  215.4359  258.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6962  219.2288  258.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3579  219.8342  260.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3617  221.2677  259.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7273  221.5215  258.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8935  220.2974  257.9967 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8841  222.8129  258.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6279  223.8851  258.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2470  223.6639  260.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1122  222.3686  260.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9465  225.0101  261.2733 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.3093  223.0793  256.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4087  222.3591  256.2544 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.3423  222.7721  255.7209 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.6319  224.3833  256.4104 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.0591  219.2011  261.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2880  219.1308  262.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4277  218.3096  261.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0495  216.8361  261.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0757  216.1228  260.8583 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6831  218.2153  256.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1536  220.2319  257.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0900  216.4556  259.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8373  215.1331  260.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <CHROM.1>
-149.48186430,94.93050785,-48.53517949,-60.20284295,-66.73769886,172.09614691
-66.13670567,196.06002429,220.07941974,258.91458569,-0.84939871,1.41204695
-0.70573671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446552/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.52851

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-3.87149

>  <SCORE.INTRA.DIHEDRAL>
2.08277

>  <SCORE.INTRA.DIHEDRAL.0>
3.22098

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.91288

>  <SCORE.INTRA.VDW.0>
1.10782

>  <SCORE.INTRA.norm>
-0.143389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.315871

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000389

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  185.9676  215.8684  250.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6817  214.5601  251.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6444  214.7181  252.2264 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.3298  213.3656  252.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0567  215.6976  253.2338 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2344  215.5830  253.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0646  214.6916  253.8371 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3798  216.7206  254.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4356  216.8245  255.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6178  217.9112  256.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8294  218.0419  257.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9968  219.0375  258.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9488  219.9555  258.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7318  219.8109  257.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5783  218.7894  256.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3210  220.7925  258.0791 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.2906  220.8771  259.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8658  222.2241  259.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1836  219.2036  258.9694 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6096  218.1074  259.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0365  217.7803  254.7436 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.2698  216.7841  253.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1852  217.0621  253.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
176.72515816,-57.81311511,-171.17817813,-62.02674054,142.03623177,186.54610081
217.78257134,255.78018910,-1.98670752,-0.46593720,0.72903979

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446553/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.13943

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-5.26057

>  <SCORE.INTRA.DIHEDRAL>
-7.7933

>  <SCORE.INTRA.DIHEDRAL.0>
16.1953

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.36392

>  <SCORE.INTRA.VDW.0>
2.34478

>  <SCORE.INTRA.norm>
-0.22872

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.223454

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  207.7485  205.2649  245.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6061  206.7216  245.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6269  206.9997  244.4406 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4209  208.3350  244.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2420  209.3677  244.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9753  210.7018  244.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8725  210.9891  243.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0534  209.9651  242.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3366  208.6380  243.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4647  212.7843  242.9472 Br  0  0  0  0  0  0  0  0  0  0  0  0
  208.3815  209.0182  245.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1115  209.9130  245.7912 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5115  207.6624  245.6774 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4248  207.3696  246.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4725  206.2869  247.4128 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5195  206.3387  248.3188 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2363  207.4344  248.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6998  208.4818  246.9277 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.6080  207.8150  249.1928 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.5699  209.6410  249.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1376  210.1540  249.4869 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6209  209.6295  250.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1889  209.9101  251.0307 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2959  209.4007  250.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7877  210.2448  249.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8650  209.7755  248.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4093  208.4621  248.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8566  207.6244  249.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7812  208.0989  250.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2787  207.8755  247.0399 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.1235  211.5899  249.4742 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9997  210.8837  251.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3872  211.8912  248.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 13  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
-8.07619944,-149.35376581,46.28808819,59.84920516,-170.51129424,62.53433633
57.99721926,-101.03828495,208.13148996,209.21523207,246.59081143,0.44281131
0.80574730,2.99636054

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446554/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-25.8581

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-38.2581

>  <SCORE.INTRA.DIHEDRAL>
-81.0616

>  <SCORE.INTRA.DIHEDRAL.0>
92.4724

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.27269

>  <SCORE.INTRA.VDW.0>
-1.4776

>  <SCORE.INTRA.norm>
-1.23413

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
-0.834133

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  204.8385  206.7290  250.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5018  206.4059  249.3572 Si  0  0  0  0  0  0  0  0  0  0  0  0
  207.8699  207.0148  250.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6623  204.5444  249.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5736  207.1907  247.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7877  207.0733  246.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0229  207.9189  245.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3060  207.7509  244.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3499  206.7409  244.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0732  205.9279  245.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7712  206.1169  246.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5002  206.4841  242.9052 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.2126  209.1690  245.7234 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-59.80433503,176.32949001,205.68549522,206.98865076,246.64084230,1.00695328
0.77316722,2.06006704

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446557/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.63633

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.763674

>  <SCORE.INTRA.DIHEDRAL>
-1.50088

>  <SCORE.INTRA.DIHEDRAL.0>
1.52865

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0132318

>  <SCORE.INTRA.VDW.0>
-0.801828

>  <SCORE.INTRA.norm>
-0.0587441

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.510487

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001674

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  201.3964  204.2304  239.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9236  203.4047  238.7458 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6826  202.2996  239.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1807  201.4619  238.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9668  201.6980  236.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4029  200.9647  235.8132 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2157  202.8570  236.4437 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6689  203.7170  237.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9963  204.7019  237.0971 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9462  203.2230  235.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8610  200.4899  238.7945 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7807  200.8535  240.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0410  201.9296  240.2876 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3849  200.1789  241.1309 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3753  200.7421  242.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0446  202.0960  242.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2838  203.2674  242.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9016  204.5199  242.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2878  204.6156  242.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0581  203.4586  242.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4427  202.2052  242.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6320  199.3837  238.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7233  199.8069  237.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7303  200.7909  237.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1567  202.1874  237.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7922  202.9053  236.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2325  204.1822  236.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0333  204.7576  238.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3911  204.0560  239.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9513  202.7781  239.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0411  199.4240  240.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
54.56465941,172.25829287,-59.62040333,106.52065705,57.65326883,-76.23959099
-63.07332694,204.17068559,202.44546086,239.08393151,2.26671258,0.79359377
-2.11133991

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446558/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.21372

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-7.18628

>  <SCORE.INTRA.DIHEDRAL>
-1.01691

>  <SCORE.INTRA.DIHEDRAL.0>
10.3005

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.67782

>  <SCORE.INTRA.VDW.0>
-2.20547

>  <SCORE.INTRA.norm>
-0.239543

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.173791

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000237

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  186.8299  205.7978  259.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7292  206.0855  260.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9887  207.0583  260.6527 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6219  205.1496  261.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3887  205.0089  258.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.9104  205.3222  262.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.1634  204.8869  258.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <CHROM.1>
-89.57487673,179.79415191,-179.25164728,185.90073357,205.78770436,260.26671379
0.52339489,1.03033531,-0.94945118

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446559/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.49244

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-3.90756

>  <SCORE.INTRA.DIHEDRAL>
-5.37331

>  <SCORE.INTRA.DIHEDRAL.0>
6.6804

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.22091

>  <SCORE.INTRA.VDW.0>
0.894042

>  <SCORE.INTRA.norm>
-0.781513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
0.498487

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047743

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  212.0927  192.8118  259.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3418  192.9816  258.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2233  192.2810  257.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7137  192.9611  256.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5716  192.3063  255.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9509  190.9676  254.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4867  190.2847  256.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6240  190.9431  257.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7795  190.2421  253.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2834  190.8236  252.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0813  190.0723  251.4733 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1467  190.7749  250.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9583  190.1311  249.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6960  188.7124  249.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5459  188.0382  250.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6807  188.7166  251.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4476  188.0784  252.5697 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2509  186.5477  250.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0061  185.3112  250.1533 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6085  188.0633  247.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4278  192.2548  250.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <CHROM.1>
90.69935345,0.47450807,-151.81065025,212.27164824,190.16770468,253.05604343
0.68160307,1.37460011,1.97797109

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446560/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.36388

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.0361152

>  <SCORE.INTRA.DIHEDRAL>
0.0292052

>  <SCORE.INTRA.DIHEDRAL.0>
2.47042

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0507178

>  <SCORE.INTRA.VDW.0>
0.233448

>  <SCORE.INTRA.norm>
-0.00171977

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.39828

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000883

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  208.5345  201.2786  242.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8930  202.2865  243.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8440  202.4337  244.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5569  203.6840  242.6128 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5977  203.7438  241.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2743  203.2570  240.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3281  202.9018  241.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1856  205.2315  241.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3333  206.1105  241.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0682  207.4434  240.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9460  207.9279  240.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3535  208.2561  240.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1048  209.6750  240.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9500  208.2923  242.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9190  204.4456  243.6894 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6836  205.3089  244.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8789  205.5069  244.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8473  205.9781  245.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7489  206.8197  244.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2459  204.9383  246.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
57.76279417,-73.53726659,97.08518110,50.63177100,-175.21182161,0.09068288
164.13190534,0.66497841,-63.06490888,207.31452814,205.28513010,242.63372051
1.22913440,1.56253654,3.10523917

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446561/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.10005

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.72

>  <SCORE.INTRA>
-6.29995

>  <SCORE.INTRA.DIHEDRAL>
-9.43561

>  <SCORE.INTRA.DIHEDRAL.0>
16.9865

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.58214

>  <SCORE.INTRA.VDW.0>
2.29927

>  <SCORE.INTRA.norm>
-0.314997

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.405003

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030858

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  224.6147  183.9124  242.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9696  182.4705  242.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1270  182.0781  242.4387 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8934  181.5130  242.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2622  180.1855  243.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3135  179.2388  243.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9731  179.5831  243.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5998  180.9144  243.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5526  181.8766  243.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9819  178.6505  244.1874 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2180  177.3062  244.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3253  176.7779  244.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9791  176.4965  244.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8577  176.2792  243.4035 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.0685  177.8329  243.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2394  178.7784  244.2305 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6363  179.8970  243.7213 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1218  179.6639  242.5228 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3354  178.3439  242.2622 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8195  177.7505  241.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1016  178.5403  240.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6267  177.9821  238.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8479  176.6363  238.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5015  175.8358  239.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9892  176.3891  240.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3448  176.1959  237.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2465  175.4332  236.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0436  179.0104  244.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-179.36714747,1.13868691,69.06151931,-77.91870445,-5.75519815,179.91447415
132.30471848,219.76250684,178.63228190,242.20662523,-0.09818423,-0.63865010
-1.05200189

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446578/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.73292

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-5.66708

>  <SCORE.INTRA.DIHEDRAL>
-3.16477

>  <SCORE.INTRA.DIHEDRAL.0>
7.89331

>  <SCORE.INTRA.POLAR>
-0.999808

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.68535

>  <SCORE.INTRA.VDW.0>
0.941658

>  <SCORE.INTRA.norm>
-0.209892

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.249367

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  217.2853  177.0909  240.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7515  177.1371  239.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9818  178.1152  238.3239 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.9892  178.6143  239.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1742  178.0415  240.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5365  178.2936  241.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3725  177.6262  237.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7111  178.7099  236.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8696  178.9144  235.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9059  179.4937  236.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0867  179.4828  237.9343 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.9161  179.3013  237.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-175.01131016,132.08765070,4.56861496,216.57138632,178.50427111,238.28946233
-1.46993886,0.00890003,-1.32998739

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446579/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.13308

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-2.26692

>  <SCORE.INTRA.DIHEDRAL>
0.4357

>  <SCORE.INTRA.DIHEDRAL.0>
1.12827

>  <SCORE.INTRA.POLAR>
-0.82352

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.315194

>  <SCORE.INTRA.VDW.0>
-0.163057

>  <SCORE.INTRA.norm>
-0.206084

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.466643

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042224

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  200.7567  200.3310  250.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4526  201.6188  250.9626 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8173  201.4201  250.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3573  202.5312  252.1323 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0863  203.4184  252.2899 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9850  204.3413  251.0645 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.5790  204.6306  250.5360 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2297  204.0178  249.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7270  202.8842  248.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9866  204.5950  248.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8961  204.6148  249.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6191  204.6700  248.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4452  205.1110  247.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5650  205.4188  246.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8412  205.0879  247.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5124  204.2730  249.6850 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1456  204.5533  250.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4083  204.4166  251.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6148  203.6552  252.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7408  203.6016  253.6020 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7957  202.6875  252.7054 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.0959  201.9077  254.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2889  201.7389  254.9083 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4193  201.2121  254.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5001  199.8733  254.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4721  198.9919  254.2778 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6991  199.1968  253.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6147  201.8396  253.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7261  201.7006  253.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3515  201.7206  251.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0901  204.8930  251.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6096  205.5819  251.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7412  204.2936  250.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0076  198.9648  255.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8304  199.0838  253.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5455  198.2296  254.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5486  201.3002  252.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4405  204.8977  252.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5882  206.1901  250.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4 28  1  0  0  0  0
  4  5  1  0  0  0  0
  5 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 10 11  2  0  0  0  0
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 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
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 26 35  1  0  0  0  0
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 28 29  2  0  0  0  0
 30 37  1  0  0  0  0
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 32 39  1  0  0  0  0
M  END
>  <CHROM.1>
-79.46654980,178.46032836,20.56230564,-173.96813181,178.18395496,-74.64114918
-175.76002895,198.60837834,202.95238647,251.46292850,-0.78018687,0.27803547
-1.09780144

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446580/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.27566

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.23125

>  <SCORE.INTRA>
-9.67566

>  <SCORE.INTRA.DIHEDRAL>
-12.4264

>  <SCORE.INTRA.DIHEDRAL.0>
14.9458

>  <SCORE.INTRA.POLAR>
-0.819361

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.676631

>  <SCORE.INTRA.VDW.0>
-0.421284

>  <SCORE.INTRA.norm>
-0.302364

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
-0.0711144

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007113

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  214.2520  184.0084  242.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0318  184.6462  241.1164 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.6919  183.5242  241.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7799  182.0664  242.1576 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.1954  184.0445  240.5628 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.0406  183.7284  241.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
-12.85442114,-133.88702869,211.66606832,183.64185307,241.46241341,-0.02064758
0.16646221,2.61267662

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446581/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.79088

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-0.609117

>  <SCORE.INTRA.DIHEDRAL>
-3.24269

>  <SCORE.INTRA.DIHEDRAL.0>
5.55002

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.01223

>  <SCORE.INTRA.VDW.0>
-0.321477

>  <SCORE.INTRA.norm>
-0.101519

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.13181

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  204.0270  213.2101  253.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3813  213.7493  252.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1478  213.5577  251.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9625  212.9609  250.3491 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7205  212.9031  249.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6227  211.8538  249.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0052  210.4091  249.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0243  209.8097  250.3483 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.8151  210.4647  250.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5097  209.5556  251.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6011  208.5400  249.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1710  212.4353  249.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2740  212.5240  250.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1892  211.6880  248.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3110  210.8827  248.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4268  210.1754  246.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4127  210.2413  245.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3170  211.0650  246.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2349  211.8150  247.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0123  214.4804  253.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
-86.71400661,-60.80801978,64.22649347,-50.93873699,-160.29861986,205.98068201
211.66190462,249.82716524,1.98578655,0.67403905,0.82647983

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446582/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.22739

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-4.17261

>  <SCORE.INTRA.DIHEDRAL>
-3.32235

>  <SCORE.INTRA.DIHEDRAL.0>
6.70407

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.51144

>  <SCORE.INTRA.VDW.0>
0.259193

>  <SCORE.INTRA.norm>
-0.219611

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.327757

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  198.8941  214.2039  247.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9920  213.0441  248.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6855  212.7232  249.1845 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9378  213.8372  249.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7740  214.9825  248.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1156  215.3998  248.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9013  216.1000  249.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0677  211.4907  248.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6349  211.3541  248.1100 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.7616  210.4485  249.5802 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2234  209.2487  250.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8447  209.0550  250.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3407  207.8588  250.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2140  206.8521  251.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5920  207.0508  251.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0963  208.2557  250.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6987  216.4509  248.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7674  210.5356  249.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
62.29474336,-9.78271019,197.23280602,211.50116838,249.35282635,-1.35421095
0.28596272,2.79737273

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446583/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.22971

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.17029

>  <SCORE.INTRA.DIHEDRAL>
-2.55303

>  <SCORE.INTRA.DIHEDRAL.0>
2.82013

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.106222

>  <SCORE.INTRA.VDW.0>
-0.35281

>  <SCORE.INTRA.norm>
-0.0731433

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.326857

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002738

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  210.2146  195.8597  245.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9081  195.1033  245.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2005  195.6960  246.7225 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9891  195.1279  247.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5140  194.1675  246.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4087  195.8439  248.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3895  196.0737  249.3135 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4856  194.9741  250.3047 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.3348  195.3493  251.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0121  196.5059  251.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9025  197.4763  250.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1258  197.2636  249.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0781  198.3598  248.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8727  196.7278  252.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9618  195.7687  253.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7372  196.0164  254.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4232  197.2261  255.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3413  198.1850  254.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5671  197.9374  252.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0594  193.7065  249.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  6  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-179.96649939,1.29920487,-44.20357190,-89.50038833,-1.73612145,208.78403088
196.12792496,250.02534598,-2.12268334,0.84397258,1.77806826

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446584/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.44742

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-7.95258

>  <SCORE.INTRA.DIHEDRAL>
-18.2535

>  <SCORE.INTRA.DIHEDRAL.0>
21.8605

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.17416

>  <SCORE.INTRA.VDW.0>
-1.1661

>  <SCORE.INTRA.norm>
-0.397629

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.122371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.065640

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 37  0  0  0  0  0  0  0  0999 V2000
  196.4698  204.2436  246.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3989  203.6618  245.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4820  202.9834  244.7515 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8558  201.6883  245.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0676  201.4525  245.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4397  200.1612  246.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7015  200.3711  248.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0201  199.0415  248.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1757  199.2297  250.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4346  197.8915  250.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5371  198.0752  252.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7291  196.7303  253.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6850  196.8944  254.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8458  195.5387  255.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6663  195.6605  256.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6746  195.0105  257.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5284  195.0170  258.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3646  195.1226  259.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0947  195.3358  261.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1999  196.8178  261.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0726  197.5811  261.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2571  199.0751  261.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2400  199.8397  260.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4834  201.3328  260.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4604  202.0945  259.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6766  203.5888  259.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6677  204.3437  258.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9434  204.0916  257.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1801  203.8754  256.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4682  203.6123  254.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6805  203.4212  253.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9614  203.1561  252.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1802  202.9507  250.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4514  202.6755  249.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3454  202.0167  248.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0050  202.7373  243.4387 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5830  201.8582  247.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7936  203.6007  243.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  3  0  0  0  0
 29 30  1  0  0  0  0
 30 31  3  0  0  0  0
 31 32  1  0  0  0  0
 32 33  3  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <CHROM.1>
4.42819263,-114.46279722,61.19437405,-114.21914277,177.54428188,-175.61548988
177.57647580,-177.85305207,177.28518918,-174.05126111,178.69567383,-174.25223758
118.19051632,76.58306224,-47.36079002,67.56690485,-174.11037039,172.33128597
-175.97487628,-179.58211399,178.27715705,179.11744117,-66.75132631,-27.18725168
-164.45368415,-44.02556211,71.75736503,-179.59816725,199.25280868,200.17762027
253.58782682,1.66462617,1.05173778,-1.37673169

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446585/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
30.658

>  <SCORE.INTER>
31.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
26

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.872222

>  <SCORE.INTRA>
-0.742047

>  <SCORE.INTRA.DIHEDRAL>
1.40308

>  <SCORE.INTRA.DIHEDRAL.0>
0.0452254

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.44359

>  <SCORE.INTRA.VDW.0>
-3.746

>  <SCORE.INTRA.norm>
-0.0206124

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.85161

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014136

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  215.1258  199.1429  246.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1782  199.2419  247.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2387  198.0988  248.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2101  196.8466  247.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1882  196.7492  246.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1388  197.8909  245.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1983  195.1944  245.6675 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.2286  198.2949  249.8247 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3093  197.3325  250.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4790  196.0062  250.4678 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2879  197.7267  251.9992 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0981  198.9512  252.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8727  199.9543  251.3933 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.1698  200.8364  251.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3865  199.7755  250.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8496  200.0161  251.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.1413  199.3774  253.6139 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5863  195.5085  250.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9599  195.5611  251.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2327  199.6950  253.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9025  199.9515  253.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  CHG  1  13   1
M  END
>  <CHROM.1>
-178.42438663,-89.96849715,5.08622181,-154.41685597,-113.39467103,215.18704486
197.66683385,248.91926651,1.45667481,1.50301512,-1.82964914

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446586/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.412991

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-9.81299

>  <SCORE.INTRA.DIHEDRAL>
-25.0361

>  <SCORE.INTRA.DIHEDRAL.0>
27.4643

>  <SCORE.INTRA.POLAR>
0.214117

>  <SCORE.INTRA.POLAR.0>
-0.584125

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.97704

>  <SCORE.INTRA.VDW.0>
-0.104126

>  <SCORE.INTRA.norm>
-0.700928

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
-0.0294994

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000469

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  206.0342  202.5991  241.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7533  201.5315  241.9407 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3063  201.4475  242.6545 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.8935  202.6918  243.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1456  200.8107  241.3741 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7172  200.6315  241.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6244  199.5352  243.3351 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.0574  201.6942  240.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7167  203.0583  240.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6193  203.8594  239.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8579  203.3098  237.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1978  201.9674  237.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2961  201.1669  238.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7167  204.3896  236.2753 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.6484  199.5045  240.9875 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5388  200.1707  243.6251 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4217  200.3236  244.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8642  199.0440  241.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  5  6  1  1  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
-52.89741160,178.12895266,69.47172668,-57.72369948,-56.01277620,45.68435651
203.36624008,202.02019112,240.33467513,-1.42830770,-0.45688184,-1.00296239

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446587/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.97877

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-0.421229

>  <SCORE.INTRA.DIHEDRAL>
-1.14437

>  <SCORE.INTRA.DIHEDRAL.0>
3.50491

>  <SCORE.INTRA.POLAR>
0.0752069

>  <SCORE.INTRA.POLAR.0>
-0.406486

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.104747

>  <SCORE.INTRA.VDW.0>
-3.0967

>  <SCORE.INTRA.norm>
-0.0247782

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.586987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  195.8196  215.8506  258.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5805  215.8569  259.4774 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9824  215.7320  260.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7852  215.5196  260.8725 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9676  215.8223  261.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2709  216.3516  261.4236 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2368  215.2502  261.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2367  215.6238  260.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4383  215.7403  260.4276 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6652  215.8581  258.9604 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9140  214.9747  257.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8280  213.9062  257.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6756  213.0518  258.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4440  212.9691  259.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3238  212.2252  260.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4292  211.5508  261.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6525  211.6065  260.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7751  212.3502  259.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5505  216.1610  259.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6308  216.9764  262.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3594  216.8043  258.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
13.94074214,-102.42796931,150.89615106,118.82971695,-112.99947406,94.63658911
-57.91435677,122.17497581,198.26402407,214.54661659,259.97730310,-2.61081145
-0.20465475,3.09264867

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446588/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.49018

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.744444

>  <SCORE.INTRA>
-5.90982

>  <SCORE.INTRA.DIHEDRAL>
3.87903

>  <SCORE.INTRA.DIHEDRAL.0>
4.86632

>  <SCORE.INTRA.POLAR>
-1.03681

>  <SCORE.INTRA.POLAR.0>
-0.192517

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.32419

>  <SCORE.INTRA.VDW.0>
-0.906759

>  <SCORE.INTRA.norm>
-0.328324

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.416121

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  204.9897  189.5823  240.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5004  188.3257  240.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6506  188.1889  241.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2186  189.3381  242.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5753  190.6521  242.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5426  190.7103  241.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1457  191.9838  240.8123 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.3797  192.0254  240.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3648  192.9160  240.5694 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.0724  191.8517  242.7991 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6168  192.0230  244.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6155  191.1714  245.0669 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0309  191.8148  246.1301 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6803  193.0493  245.8048 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0336  193.1855  244.5161 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7024  194.3970  243.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8692  194.1023  242.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7218  193.6734  241.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2663  189.0555  243.6774 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.6621  188.3300  244.5975 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1051  189.4560  243.5053 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.8449  187.1492  240.0104 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.5757  187.3278  239.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3534  186.0636  240.3434 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.9095  192.6003  242.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1579  193.4889  240.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  6   7   1   9  -1  19   1  21  -1  22   1  24  -1
M  END
>  <CHROM.1>
27.76082896,5.10422312,52.60936365,-80.49393834,179.77256605,203.30589863
190.69173726,242.41857200,-0.71896648,0.97121156,-0.11001487

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446589/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.42372

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-15.8237

>  <SCORE.INTRA.DIHEDRAL>
-27.9913

>  <SCORE.INTRA.DIHEDRAL.0>
36.6117

>  <SCORE.INTRA.POLAR>
-0.866418

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.11777

>  <SCORE.INTRA.VDW.0>
-3.12043

>  <SCORE.INTRA.norm>
-0.659321

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.267655

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000376

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  213.9050  190.0864  259.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0653  191.4052  258.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0662  192.1185  257.8947 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5451  193.2950  257.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9188  193.4420  257.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6258  192.0930  258.1660 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.5866  194.2337  256.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8405  193.5426  255.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5764  193.0911  254.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7850  193.1862  254.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7082  192.3080  253.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2953  191.6591  252.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5072  190.8341  251.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1702  190.5802  252.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5788  191.2559  253.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3377  192.1356  253.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1971  190.1069  250.3176 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.6315  190.0399  250.4928 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4194  188.9251  250.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8644  191.2793  249.1306 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5212  192.5976  249.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4197  193.5220  249.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1578  192.9709  249.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4576  191.5116  248.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-54.83219180,-65.13511601,2.26960136,-174.95347002,24.10513150,65.49076576
212.47129341,191.82305021,253.50622896,-0.95808324,0.97215795,-2.23711815

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446590/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.94702

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-3.45298

>  <SCORE.INTRA.DIHEDRAL>
-7.73296

>  <SCORE.INTRA.DIHEDRAL.0>
9.56431

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.4135

>  <SCORE.INTRA.VDW.0>
-2.34475

>  <SCORE.INTRA.norm>
-0.143874

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.331126

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000615

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  207.9732  195.3139  243.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2805  195.2206  244.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4323  196.5246  245.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7789  196.5287  246.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9242  197.8188  247.8069 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0963  197.7281  249.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0599  198.9887  249.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4517  198.1228  248.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2447  197.1099  248.7571 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3287  197.0966  250.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3180  195.7753  251.0425 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.7022  196.0767  252.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1533  196.4790  252.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9095  195.0885  250.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5497  194.5214  249.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1611  193.8692  249.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8720  193.3066  248.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3111  196.5059  248.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4101  197.0491  247.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0619  195.1123  247.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8859  193.7633  248.5981 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-179.36091010,178.65102783,174.01683462,-174.41314975,-63.17669801,-85.51480029
140.84159232,82.74805922,168.65248693,-69.69860509,69.34607094,-179.36918472
-179.04727843,-100.95543091,208.83292500,195.66946669,248.61214094,-2.34974925
-0.60481129,1.21810147

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446591/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2399

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.92381

>  <SCORE.INTRA>
-9.1601

>  <SCORE.INTRA.DIHEDRAL>
-1.55354

>  <SCORE.INTRA.DIHEDRAL.0>
7.78276

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.38333

>  <SCORE.INTRA.VDW.0>
2.03399

>  <SCORE.INTRA.norm>
-0.436195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.487614

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 67 66  0  0  0  0  0  0  0  0999 V2000
  207.7456  195.6842  237.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7363  194.6195  236.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6657  193.2614  236.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9995  192.3032  237.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5608  192.6635  239.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9562  193.6900  240.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2188  194.8906  240.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1276  196.0763  241.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3722  196.4020  240.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2893  197.5352  240.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2836  198.4796  241.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4937  198.9279  242.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9040  198.9773  244.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3253  198.0108  245.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7425  197.9135  246.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6733  198.8385  247.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3266  198.2457  247.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2863  199.1292  248.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8101  199.0439  249.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0497  198.0989  250.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0638  196.9530  250.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0751  195.6548  249.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2574  194.9841  249.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9715  194.8866  248.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7455  195.7774  247.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8823  196.8944  246.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7617  197.1505  245.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0521  196.9059  244.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5616  196.2691  244.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3239  194.8718  244.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7043  193.7203  244.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
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  211.1330  192.3111  242.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9913  193.4568  241.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9472  193.6063  240.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0140  193.9506  238.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
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  212.7960  191.1543  237.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6094  191.7005  236.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2140  192.1864  235.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9696  191.5377  234.4654 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6044  191.9740  234.0442 P   0  0  1  0  0  0  0  0  0  0  0  0
  218.5731  191.7298  235.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8818  191.0132  232.7799 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9496  193.6487  233.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3197  194.4835  234.5335 P   0  0  0  0  0  0  0  0  0  0  0  0
  218.7341  194.7549  235.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0385  195.8193  233.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6898  195.3183  235.9117 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3530  190.7489  236.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9876  193.4987  239.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7672  194.3339  242.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5238  194.5668  246.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7101  197.8882  246.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4841  195.0025  250.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6810  200.1810  247.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5353  197.1713  245.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4377  197.6031  239.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6470  193.1561  241.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9708  195.2436  235.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6678  190.0608  232.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7571  195.8323  232.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.7952  194.7399  236.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 64  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 63  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 62  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 46 47  2  1  0  0  0
 46 48  1  0  0  0  0
 46 49  1  0  0  0  0
 48 65  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 50 53  1  0  0  0  0
 52 66  1  0  0  0  0
 53 67  1  0  0  0  0
M  END
>  <CHROM.1>
-0.77301345,54.66607564,-110.14627465,9.82051345,-174.09638450,-0.24886045
115.44197877,-62.76240434,-125.41945303,118.65628023,173.90924267,-111.55553281
4.84144000,-67.79930614,-7.37049135,7.23931040,73.57364409,22.88001390,-24.07311115
52.46881211,92.66716878,106.61925278,-56.01886589,-109.61554475,5.95680461
55.54302572,-4.29925972,-9.19754650,45.56447881,2.28644305,122.79697114,-176.85256270
56.13713091,-50.66449758,62.07397040,99.73717006,-33.13038255,106.47602169
211.32205299,194.87273557,241.19739924,0.97233157,-0.12441268,-1.98312840

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446592/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72497

>  <SCORE.INTER>
40.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
35

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.63125

>  <SCORE.INTRA>
-31.675

>  <SCORE.INTRA.DIHEDRAL>
-40.054

>  <SCORE.INTRA.DIHEDRAL.0>
49.9522

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.648

>  <SCORE.INTRA.VDW.0>
-11.5148

>  <SCORE.INTRA.norm>
-0.494922

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
64

>  <SCORE.norm>
0.136328

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.954044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  192.0784  226.5439  257.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3508  225.2575  257.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9327  224.0319  257.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2809  222.7931  257.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0070  222.8174  258.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4310  224.0496  258.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0878  225.2557  258.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1322  221.6081  258.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8378  221.6183  257.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9770  221.0014  257.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8926  219.4737  257.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8457  219.1198  256.0773 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7997  219.8323  255.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8661  221.3552  255.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5373  217.9976  255.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1463  217.3044  256.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5330  217.7594  254.3170 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2154  218.5049  253.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5982  218.2898  253.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2836  218.9547  252.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6047  219.8454  251.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2495  220.0921  251.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5631  219.4334  252.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9679  218.7073  251.8105 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.4248  217.1760  254.1953 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.7577  217.2173  253.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
76.04449195,70.90177232,78.53384888,193.45628441,220.40663508,255.28313701
-2.65561429,-0.83595816,2.93451789

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446593/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.65529

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-3.74471

>  <SCORE.INTRA.DIHEDRAL>
0.0394063

>  <SCORE.INTRA.DIHEDRAL.0>
1.39002

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.76441

>  <SCORE.INTRA.VDW.0>
0.683123

>  <SCORE.INTRA.norm>
-0.149788

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.186212

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  183.9919  223.9850  253.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0956  222.9382  254.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8775  222.5463  253.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1338  221.5377  254.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5514  220.9854  255.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7338  221.4021  256.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5042  222.3714  255.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7305  219.9606  256.2132 N   0  3  0  0  0  0  0  0  0  0  0  0
  179.6552  219.6523  255.6778 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.1502  219.4721  257.2717 O   0  5  0  0  0  0  0  0  0  0  0  0
  181.5157  223.0566  252.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.9579  222.3783  251.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4288  222.0456  251.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2776  222.7647  250.3753 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4995  222.1627  250.3949 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4014  221.0760  251.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1105  220.9574  251.6455 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.6288  219.9892  252.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4723  219.4661  253.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0186  218.4643  254.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7383  217.9395  254.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8960  218.4394  253.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3273  219.4777  252.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7469  220.0408  251.5070 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.1847  220.8685  250.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7229  221.9182  251.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8945  221.9199  252.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7516  222.8259  252.1405 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3903  222.9926  253.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9514  221.8337  254.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6641  221.8604  255.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7718  223.0540  256.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1632  224.2196  255.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4642  224.2049  254.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8057  225.4401  253.7015 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3071  225.7810  252.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5522  223.3719  252.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.9974  222.9342  251.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 38  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <CHROM.1>
87.98588566,-50.23238817,-101.01416059,3.86916370,-144.33496050,84.17725455
125.18646271,119.80579720,-56.93773845,39.90623434,184.62522597,221.63242825
253.39712861,-0.02536678,0.52489241,0.91612877

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446602/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24301

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427778

>  <SCORE.INTRA>
-8.15699

>  <SCORE.INTRA.DIHEDRAL>
0.200108

>  <SCORE.INTRA.DIHEDRAL.0>
11.4948

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.25705

>  <SCORE.INTRA.VDW.0>
-2.22335

>  <SCORE.INTRA.norm>
-0.226583

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.201195

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 23  0  0  0  0  0  0  0  0999 V2000
  186.2955  207.9068  256.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5079  209.2111  256.1065 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.3465  210.2214  256.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5121  211.5948  255.8086 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7928  211.5430  254.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1287  212.1899  253.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3731  211.6954  254.5034 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2144  211.0243  253.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7641  209.6116  253.7882 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.7406  209.1011  252.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4380  209.6419  255.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1146  212.8095  255.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0311  212.9570  256.6778 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.8478  214.1159  257.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6593  213.1665  257.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2965  212.4152  256.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3545  213.5769  257.0617 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.0009  214.2036  257.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9024  213.0815  258.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7744  209.7481  256.4969 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7653  209.8133  255.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.1525  212.3947  256.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.8365  212.8676  258.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.9122  210.5690  255.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
172.52876539,179.14817349,54.66093818,-121.26978985,109.83782270,55.07249002
115.84783780,-129.96848547,103.22686404,-173.12817402,66.38588101,178.90185947
59.60270862,-170.79187874,68.32709483,187.27311288,211.48736946,255.75636792
0.59203039,-0.33993193,-2.82698103

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446603/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.316776

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.82

>  <SCORE.INTRA>
-16.7168

>  <SCORE.INTRA.DIHEDRAL>
9.93142

>  <SCORE.INTRA.DIHEDRAL.0>
2.81952

>  <SCORE.INTRA.POLAR>
-3.99516

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00291998

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.11355

>  <SCORE.INTRA.VDW.0>
1.85037

>  <SCORE.INTRA.norm>
-0.835839

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
-0.0158388

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000659

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  210.0905  206.4228  245.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2136  207.6644  245.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7659  207.3013  246.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0749  207.0721  244.9383 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7699  206.8047  244.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1198  206.6125  243.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7594  206.3260  243.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0290  206.2193  244.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6683  206.3986  246.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0571  206.7038  246.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8053  206.8860  247.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1684  207.2603  247.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9604  207.6783  248.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1228  206.7254  248.6610 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5742  205.5226  249.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4339  205.1201  248.8548 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5365  204.5938  249.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1454  203.5174  248.9102 N   0  3  1  0  0  0  0  0  0  0  0  0
  206.7062  202.9133  249.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0534  202.6358  248.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5793  201.6659  247.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3626  202.3651  246.2045 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.5273  203.1209  246.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0753  204.1347  247.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4707  203.2778  245.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6914  207.5695  249.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 24  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  1  0  0  0
 23 24  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-87.18140942,64.20751475,-88.93647875,-97.18882846,-175.53979134,205.99634725
205.45255496,246.84104348,-1.12650928,0.33073447,2.39251347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446604/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.18142

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-4.21858

>  <SCORE.INTRA.DIHEDRAL>
-0.166324

>  <SCORE.INTRA.DIHEDRAL.0>
3.16527

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.13542

>  <SCORE.INTRA.VDW.0>
-0.968136

>  <SCORE.INTRA.norm>
-0.175774

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.257559

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  209.3847  194.5958  242.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5218  195.6148  242.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1534  195.9537  243.7079 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2385  195.0143  244.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8339  193.8035  244.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5927  197.3864  243.7514 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.4363  198.3959  243.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3371  197.7316  245.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4528  198.2509  245.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7136  197.3459  246.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4259  197.6162  247.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9014  197.2726  248.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6523  196.6648  248.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9337  196.3909  247.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4601  196.7265  246.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
86.36893812,-91.26042971,64.15514033,126.68986464,177.40548095,211.33630679
196.55453308,245.31753330,1.88125425,-1.04461500,-1.63394842

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446605/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.06497

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-2.33503

>  <SCORE.INTRA.DIHEDRAL>
2.0634

>  <SCORE.INTRA.DIHEDRAL.0>
1.71932

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.36673

>  <SCORE.INTRA.VDW.0>
3.66496

>  <SCORE.INTRA.norm>
-0.155669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.537665

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.062448

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  188.4323  209.4716  257.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7818  210.0334  256.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2903  209.6944  256.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0133  211.5421  256.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4715  211.8840  255.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6361  213.3805  256.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0717  213.8898  255.9002 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.1542  215.4099  255.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9140  213.2378  257.0073 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4234  213.4231  256.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9006  212.5567  258.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8404  212.7296  259.1647 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.6450  213.4962  258.5228 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.2830  212.9503  259.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3223  212.5405  260.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1612  211.2578  260.6215 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4553  211.3500  259.7378 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6942  210.7359  260.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2849  209.5097  261.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5744  209.9099  262.3644 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.2784  210.7445  262.1269 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.9940  209.9265  262.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9007  209.5772  263.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1006  208.7323  264.4053 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3768  209.4369  263.9540 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9400  208.6662  263.0175 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2381  210.1914  264.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9837  207.4758  263.6575 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7960  206.4459  263.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5897  206.4310  264.8873 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5194  205.2815  263.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2603  212.0181  263.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7385  214.9850  258.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  1  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  6  0  0  0
 25 26  1  0  0  0  0
 25 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
71.02061405,-174.99897189,174.55162859,172.16212351,169.62605121,-170.09734040
4.71305545,191.20034350,210.84289868,260.19867543,1.80029318,-0.66338477
-0.83200725

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446606/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.237

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-2.16298

>  <SCORE.INTRA.DIHEDRAL>
-0.956324

>  <SCORE.INTRA.DIHEDRAL.0>
3.48577

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.68481

>  <SCORE.INTRA.VDW.0>
1.70429

>  <SCORE.INTRA.norm>
-0.0655448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.310213

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.032073

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  222.9802  188.0960  245.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6201  187.9791  246.5240 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8495  189.1713  246.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9299  186.7716  246.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4361  185.4848  246.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1128  184.5448  245.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6698  183.3819  246.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5473  183.1864  247.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8034  184.0632  248.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2691  185.2229  248.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5655  183.7919  250.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8122  183.7410  250.8800 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3797  185.0799  251.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5501  183.1396  252.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1520  182.1148  248.4142 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4356  182.4551  245.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7167  181.9441  246.0368 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.2017  180.7874  245.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7250  183.0104  245.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8380  181.7868  247.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
72.96590724,-112.89309695,135.96666634,18.02185304,61.72063749,73.43165341
164.13331576,222.72138630,184.41096137,247.57420648,-2.57339868,-1.06867642
1.98740951

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446607/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1705

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.22947

>  <SCORE.INTRA.DIHEDRAL>
1.0536

>  <SCORE.INTRA.DIHEDRAL.0>
2.5324

>  <SCORE.INTRA.POLAR>
0.00717665

>  <SCORE.INTRA.POLAR.0>
-0.969679

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78067

>  <SCORE.INTRA.VDW.0>
0.412327

>  <SCORE.INTRA.norm>
-0.0647092

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.535291

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001631

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  200.4226  185.9607  268.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0796  185.4786  267.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2338  186.2418  266.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7469  185.7137  265.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1013  184.4177  264.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0794  183.7239  265.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5611  184.2561  266.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3119  183.8169  263.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6147  184.5687  262.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3396  182.3255  263.4003 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9317  181.4318  264.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7666  182.1112  265.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6525  182.0715  264.7653 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0392  182.7834  266.4853 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0737  183.5679  267.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4848  184.3695  268.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5739  185.2497  268.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2564  185.3299  268.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8177  184.4975  267.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7174  183.6071  266.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4067  186.2123  268.9712 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.9936  186.0431  269.8647 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.4447  182.1229  262.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7787  182.2097  260.8797 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.7448  182.3973  260.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7175  181.9292  260.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6188  181.8564  258.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3495  181.5235  258.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2519  181.2910  259.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3698  181.3792  260.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6366  181.6966  260.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1293  181.8494  262.1817 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9994  182.8410  266.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5870  181.8146  263.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 23 32  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 34  1  0  0  0  0
M  CHG  1  24   1
M  END
>  <CHROM.1>
15.72690978,56.55442981,39.70110740,86.56277691,74.46966422,-170.67707085
196.87384563,183.59562872,264.76560608,-1.49835133,-0.12502656,-1.98017713

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446608/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44531

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-4.95469

>  <SCORE.INTRA.DIHEDRAL>
1.43245

>  <SCORE.INTRA.DIHEDRAL.0>
4.8644

>  <SCORE.INTRA.POLAR>
-0.474464

>  <SCORE.INTRA.POLAR.0>
-0.56313

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.05774

>  <SCORE.INTRA.VDW.0>
0.768221

>  <SCORE.INTRA.norm>
-0.159829

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.207913

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  198.0614  208.1901  247.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5315  207.7452  247.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2075  207.0211  246.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1722  207.8115  244.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1299  207.1692  244.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5798  207.7782  242.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8330  207.1942  241.7803 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8424  209.0337  243.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5884  209.5644  242.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4768  209.1132  243.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1946  209.8032  243.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2180  210.6385  242.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0084  211.2198  241.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7336  210.6998  241.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8128  210.7242  243.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8942  209.7649  243.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9951  212.1906  243.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3464  210.3610  243.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3837  210.9676  241.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5686  210.4274  241.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8441  210.7130  241.0195 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.5014  211.1409  239.5911 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5060  212.2832  239.7551 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.2830  211.8088  240.3133 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2346  212.9659  238.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9641  210.0037  238.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8413  209.6479  240.9027 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1205  209.3548  241.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6951  210.0550  240.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  6  0  0  0
 22 23  1  0  0  0  0
 22 26  1  6  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
58.67304437,161.07245971,-56.99773246,199.39492879,209.85872664,242.60773474
-2.02666805,0.39091731,-0.99047108

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446609/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.72421

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-4.67579

>  <SCORE.INTRA.DIHEDRAL>
-5.17388

>  <SCORE.INTRA.DIHEDRAL.0>
6.00566

>  <SCORE.INTRA.POLAR>
-0.095138

>  <SCORE.INTRA.POLAR.0>
-0.269893

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.76538

>  <SCORE.INTRA.VDW.0>
0.845051

>  <SCORE.INTRA.norm>
-0.173177

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.137934

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000293

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  194.4617  221.0776  253.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2807  222.1939  253.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9716  222.1625  254.8364 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5775  221.0300  255.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6538  220.3239  254.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1692  220.7821  256.7550 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.8060  219.7518  257.3379 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9902  221.6054  257.1780 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.4861  223.2934  252.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9166  223.4084  251.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3816  224.2416  253.1395 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8656  224.1710  254.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5578  225.0296  252.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  2   6   1   8  -1
M  END
>  <CHROM.1>
0.03283658,195.65829924,221.83864103,254.68808365,1.76063504,-0.83169579
-0.85423957

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446618/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-5.20638e-06

>  <SCORE.INTRA.DIHEDRAL>
-7.99167e-06

>  <SCORE.INTRA.DIHEDRAL.0>
1.13318e-05

>  <SCORE.INTRA.POLAR>
-3.61335e-07

>  <SCORE.INTRA.POLAR.0>
-0.00346749

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.79956e-08

>  <SCORE.INTRA.VDW.0>
-0.392776

>  <SCORE.INTRA.norm>
-4.73307e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000121

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  196.6664  212.0128  249.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6734  212.1723  250.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7275  211.0510  251.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7664  209.7727  250.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7149  209.5926  249.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7063  210.7321  248.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8999  208.3304  248.7011 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8427  208.4085  251.7541 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.7435  207.8656  249.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0812  207.7320  248.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
-50.91172225,196.76993784,209.88893116,250.24543593,2.63047794,1.52001880
-1.60459300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446619/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87467

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.52533

>  <SCORE.INTRA.DIHEDRAL>
-0.188006

>  <SCORE.INTRA.DIHEDRAL.0>
0.609472

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.431327

>  <SCORE.INTRA.VDW.0>
-0.0961079

>  <SCORE.INTRA.norm>
-0.0656662

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.734334

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  212.2984  197.0824  238.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6744  196.0970  239.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3918  196.6680  239.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7680  195.6946  240.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4896  196.2954  241.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8422  195.3490  242.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5735  195.9831  242.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9080  195.0540  243.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6409  195.6990  244.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9715  194.7745  245.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7051  195.4230  245.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0312  194.5011  246.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7671  195.1540  247.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0893  194.2344  248.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8230  194.8812  248.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1527  193.9499  249.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8837  194.5845  250.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2098  193.6729  251.3232 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.1793  192.7319  250.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9377  193.5535  252.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7834  194.0995  251.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-179.17414412,-179.98941206,-179.93919033,179.96437970,179.94704152,-179.97170463
179.99375393,179.90996721,179.93347839,179.94016293,-179.93122385,179.95827345
179.97371921,179.93615189,-179.79888141,-47.05769342,203.39943323,195.12674451
245.49476282,0.60623897,0.35750896,-0.90133575

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446620/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
21.131

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.07

>  <SCORE.INTRA>
-0.268976

>  <SCORE.INTRA.DIHEDRAL>
0.405359

>  <SCORE.INTRA.DIHEDRAL.0>
0.055634

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.471656

>  <SCORE.INTRA.VDW.0>
-0.964246

>  <SCORE.INTRA.norm>
-0.0134488

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
1.05655

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031552

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  210.9433  185.2311  242.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8012  186.6078  243.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8353  187.3276  243.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0030  186.6770  244.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1392  185.2990  243.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1114  184.5822  243.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2707  183.1303  243.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4022  182.4590  242.4967 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6999  188.7779  243.8421 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.6573  189.3168  243.4452 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6382  189.3762  244.3870 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
>  <CHROM.1>
-0.17497428,211.84362501,186.32084982,243.45265816,1.55044460,0.43393111
-2.95538123

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446621/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39997

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-2.85081e-05

>  <SCORE.INTRA.DIHEDRAL>
-5.17737e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.000160969

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.62119e-06

>  <SCORE.INTRA.VDW.0>
0.0102902

>  <SCORE.INTRA.norm>
-2.59164e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581816

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003593

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  207.2219  195.6415  256.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1990  195.9664  255.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8777  194.7436  254.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7492  194.5255  254.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9686  193.7701  254.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6704  192.7085  253.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6267  191.7265  253.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8967  191.7900  253.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2135  192.8652  254.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2497  193.8557  254.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6817  190.7015  253.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6577  189.6181  254.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2528  189.0025  254.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9561  187.9948  253.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3951  189.5815  255.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0457  189.1128  255.6339 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0181  188.0388  256.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1418  190.2867  256.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7437  190.0690  255.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7941  191.0693  256.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2114  192.3384  256.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5676  192.5760  256.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5431  191.5690  256.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7643  192.1107  256.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2283  192.3705  258.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6447  190.5250  255.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
99.23721205,-175.23408652,-91.97024760,62.34618817,96.33464336,84.47540001
154.38111518,-105.12524977,207.61970724,191.74525866,255.18392721,-2.10183033
-0.50995919,3.07966190

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446622/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.48816

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.536

>  <SCORE.INTRA>
-6.91184

>  <SCORE.INTRA.DIHEDRAL>
7.45666

>  <SCORE.INTRA.DIHEDRAL.0>
7.09826

>  <SCORE.INTRA.POLAR>
-0.673836

>  <SCORE.INTRA.POLAR.0>
-0.0770865

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.34913

>  <SCORE.INTRA.VDW.0>
2.92114

>  <SCORE.INTRA.norm>
-0.276474

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.259526

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000187

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  187.6654  206.6287  261.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5863  205.5815  260.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2313  205.7231  259.1837 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.9637  206.9669  258.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9803  208.0496  259.5560 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3409  207.8574  260.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6076  207.1393  257.4523 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2304  206.2772  257.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.0471  207.9737  257.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
23.77805397,187.16856112,206.85788068,259.59123766,-0.37415666,1.27666562
-2.62368590

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446624/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-5.97681e-08

>  <SCORE.INTRA.DIHEDRAL>
-9.70136e-08

>  <SCORE.INTRA.DIHEDRAL.0>
0.458255

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12612e-08

>  <SCORE.INTRA.VDW.0>
-0.0964835

>  <SCORE.INTRA.norm>
-8.53829e-09

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.914286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000840

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 60 62  0  0  0  0  0  0  0  0999 V2000
  196.8027  187.8347  243.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7197  188.5231  242.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4777  188.2457  242.1061 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.7640  187.7823  240.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3352  186.5050  240.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6987  187.1295  240.8561 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.9321  186.0986  242.4300 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.4659  186.8832  243.9628 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.7036  188.6583  244.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6181  189.9269  242.7536 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.7878  189.0666  241.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2547  190.5283  243.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3917  191.3566  244.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2230  192.5374  244.3254 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5622  191.9674  243.8177 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4398  191.1105  242.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5093  193.0892  243.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9171  192.6106  243.0578 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5619  191.8008  244.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8457  191.8020  241.8872 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4429  193.3749  243.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9873  186.0567  245.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2926  184.9224  245.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1676  184.6420  244.9279 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1247  184.0183  246.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7332  183.0156  246.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7387  182.2184  247.8172 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3247  183.1344  248.9626 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1620  182.6996  250.2106 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1399  183.7651  251.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3565  183.5995  252.3291 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1509  184.9767  251.4440 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7430  186.1041  250.4596 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1701  187.6034  250.4558 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3309  188.4488  249.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7745  189.5041  249.7966 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1503  188.0292  247.9603 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5093  187.7180  247.2198 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3852  187.2371  245.7513 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5529  187.4813  244.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0478  188.6057  243.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1876  188.2813  242.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7752  188.7688  242.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5559  188.1438  242.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0071  185.7874  245.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2588  188.9487  247.2167 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9601  187.0634  247.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6490  189.2272  247.2668 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1446  188.3515  251.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3641  185.6506  249.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2947  185.4219  252.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6840  181.3764  250.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2180  183.9395  248.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0624  180.9072  248.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2767  185.3333  242.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1284  191.1588  242.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6730  189.5835  246.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5058  188.9518  246.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0711  184.7444  249.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8602  183.3840  247.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3 44  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 55  1  1  0  0  0
  8  9  1  6  0  0  0
  8 22  1  0  0  0  0
 10  9  1  1  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  6  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 56  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  1  0  0  0
 28 29  1  0  0  0  0
 28 53  1  6  0  0  0
 29 30  1  0  0  0  0
 29 52  1  1  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  1  0  0  0
 33 34  1  0  0  0  0
 33 50  1  6  0  0  0
 34 35  1  0  0  0  0
 34 49  1  1  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 47  1  6  0  0  0
 37 48  1  0  0  0  0
 38 39  1  0  0  0  0
 38 46  1  6  0  0  0
 39 40  1  0  0  0  0
 39 45  1  1  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 46 57  1  0  0  0  0
 48 58  1  0  0  0  0
 50 59  1  0  0  0  0
 53 60  1  0  0  0  0
M  END
>  <CHROM.1>
119.20754192,172.81269273,-55.07637325,-48.38167120,-57.56493448,54.77366956
-178.07185911,-58.22572063,202.06105374,187.42699531,245.83665508,1.96869877
-0.95231152,-0.59132090

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446625/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.05091

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.152727

>  <SCORE.INTRA>
-10.4509

>  <SCORE.INTRA.DIHEDRAL>
-9.45973

>  <SCORE.INTRA.DIHEDRAL.0>
14.3263

>  <SCORE.INTRA.POLAR>
-1.1312

>  <SCORE.INTRA.POLAR.0>
-0.0786802

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.87498

>  <SCORE.INTRA.VDW.0>
1.95246

>  <SCORE.INTRA.norm>
-0.190017

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
-0.0372893

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028931

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  201.6325  204.2452  251.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9546  205.7462  251.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8398  206.5378  251.9681 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4222  206.1759  253.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0471  204.6899  253.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2094  203.8225  252.9599 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4113  203.6910  254.1741 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.1228  204.9533  254.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7722  203.1387  255.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5666  202.4726  253.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8349  202.4059  254.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8139  201.5888  253.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5261  200.8337  252.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2585  200.8918  251.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2839  201.7367  252.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9589  200.0456  250.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9937  200.6917  249.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3947  201.8660  249.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5234  202.3283  249.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2455  202.5121  248.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4302  203.6660  247.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1075  204.4604  247.1540 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.7943  204.4190  248.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5020  205.6110  249.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5676  205.6369  250.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9111  204.4684  250.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1890  203.2762  249.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1292  203.2506  248.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
55.01080865,162.79976724,-149.81030670,64.05744004,9.83604132,-177.21009287
45.98413111,104.63774511,201.93907070,203.48464043,251.27524971,2.53202768
0.68533009,-1.82308930

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446634/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34878

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-6.05122

>  <SCORE.INTRA.DIHEDRAL>
-5.2243

>  <SCORE.INTRA.DIHEDRAL.0>
11.9917

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.43907

>  <SCORE.INTRA.VDW.0>
-1.59249

>  <SCORE.INTRA.norm>
-0.216115

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.262457

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001247

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  214.3489  189.0439  232.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6280  189.2998  234.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5591  187.9913  235.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8372  188.2088  236.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7433  187.0005  237.0874 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  CHG  1   5  -1
M  END
>  <CHROM.1>
-179.99010347,179.95779481,214.62276378,188.28370465,235.14298508,1.95927052
-1.35150968,-0.75256154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446635/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.00277

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-0.39723

>  <SCORE.INTRA.DIHEDRAL>
-0.237891

>  <SCORE.INTRA.DIHEDRAL.0>
0.237898

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.278285

>  <SCORE.INTRA.VDW.0>
0.0419376

>  <SCORE.INTRA.norm>
-0.0794461

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.40055

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.093869

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  199.1618  181.7033  238.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9376  182.0677  239.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0454  183.1944  239.6872 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7951  183.5858  240.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3124  183.0693  241.9445 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9684  184.6798  240.9750 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9084  185.6439  242.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0385  186.7538  241.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0819  187.7221  243.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9919  187.5846  244.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8585  186.5051  244.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8190  185.5521  243.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0650  188.8795  245.4361 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.0362  186.9414  240.9306 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.0120  186.1269  239.9952 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2703  187.9108  241.0248 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.3805  184.8021  240.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <CHROM.1>
-179.87014032,2.63463823,-179.63542715,197.01809722,186.21657436,242.46162834
-1.36106044,-0.68206821,0.87741190

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446636/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.75209

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-2.64791

>  <SCORE.INTRA.DIHEDRAL>
-5.23232

>  <SCORE.INTRA.DIHEDRAL.0>
5.33365

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0317503

>  <SCORE.INTRA.VDW.0>
1.39968

>  <SCORE.INTRA.norm>
-0.165495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.359505

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  191.4880  221.4303  262.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0819  221.5116  261.3250 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.3870  222.9011  261.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9972  220.6549  262.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8250  220.7393  259.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1234  219.4893  259.4506 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7252  219.2310  258.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1514  220.2983  257.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0939  221.6652  258.5070 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.6592  220.2650  256.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1464  221.2097  255.5471 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8097  218.9485  255.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3696  218.8116  254.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5064  217.5890  253.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0758  216.4956  254.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5144  216.6205  255.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3879  217.8446  256.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8801  217.9374  257.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3798  216.9664  258.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 18  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-98.79368465,192.44539241,219.83142033,258.06917407,1.24424786,-1.13662162
0.74340316

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446637/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24675

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-0.153253

>  <SCORE.INTRA.DIHEDRAL>
-0.0395202

>  <SCORE.INTRA.DIHEDRAL.0>
1.19863

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.133493

>  <SCORE.INTRA.VDW.0>
-0.683199

>  <SCORE.INTRA.norm>
-0.00806596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.328776

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000556

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  200.7746  219.8766  259.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9009  220.7911  257.9414 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3403  220.3133  256.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6865  222.0938  258.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5124  222.3873  258.5373 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7310  222.7886  258.3364 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
M  CHG  1   6  -1
M  END
>  <CHROM.1>
-67.27315623,200.65301098,221.38384669,258.13728118,-1.81621223,-1.15095387
0.01422352

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446638/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.979334

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-5.42067

>  <SCORE.INTRA.DIHEDRAL>
-0.101546

>  <SCORE.INTRA.DIHEDRAL.0>
0.601072

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.36989

>  <SCORE.INTRA.VDW.0>
6.22462

>  <SCORE.INTRA.norm>
-0.903444

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
0.163222

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.243827

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  198.6116  200.8317  240.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1696  200.0674  238.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1931  199.0808  239.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6724  198.8389  240.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1119  199.6116  241.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0754  200.6171  241.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4780  201.4517  242.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3076  202.3336  242.2669 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7454  201.1417  244.0267 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.6961  198.3094  237.9693 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.1688  198.5707  236.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8302  197.4494  238.1840 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <CHROM.1>
-0.31778738,197.58987877,199.97732798,240.62731336,-1.22822298,-0.80187488
-1.84318626

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446639/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.19783

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-1.20217

>  <SCORE.INTRA.DIHEDRAL>
-2.92543

>  <SCORE.INTRA.DIHEDRAL.0>
2.92777

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.260543

>  <SCORE.INTRA.VDW.0>
-0.164812

>  <SCORE.INTRA.norm>
-0.100181

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.433152

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  191.4345  214.1764  253.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6406  212.9493  252.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1408  213.2399  252.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3360  212.0102  252.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8370  212.3169  252.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0141  211.0985  251.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5124  211.3805  251.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7041  210.1762  251.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8676  209.6441  252.3539 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.2198  208.5731  251.8478 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.3435  207.9984  252.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0931  208.2880  253.8696 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.5697  206.8429  252.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8135  206.4583  250.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1090  205.3849  250.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1850  204.6768  250.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.9672  205.0730  252.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6206  206.1296  252.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
179.83088324,179.92964548,179.92960938,-179.68144540,179.78437652,116.45643777
179.75461194,0.44886217,183.86481653,209.34138890,252.21305549,-0.45577402
-0.46937039,-2.25766691

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446640/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.0612

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.744444

>  <SCORE.INTRA>
-0.338795

>  <SCORE.INTRA.DIHEDRAL>
-0.0204114

>  <SCORE.INTRA.DIHEDRAL.0>
1.37214

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.328589

>  <SCORE.INTRA.VDW.0>
-0.537509

>  <SCORE.INTRA.norm>
-0.0188219

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.725623

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000409

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  198.3521  217.3654  257.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5467  218.5797  257.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5806  219.0842  256.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8946  220.2564  256.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1619  220.8796  258.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0716  220.4329  259.0531 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7491  219.2837  258.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6987  218.8610  259.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2668  217.4084  260.8454 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.7452  217.7652  261.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1232  216.9672  262.4109 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1532  217.7532  262.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2737  217.4703  264.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4686  218.5048  264.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5029  219.7829  263.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3334  220.0643  262.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1419  219.0224  262.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0916  218.9534  261.4311 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3590  218.3598  255.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0268  217.8480  255.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5937  216.8692  256.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5566  217.4229  257.6419 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.3630  216.3709  256.1452 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.4438  215.8162  256.4644 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.3817  219.7268  260.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
118.94249895,-70.41056877,-59.48939801,-177.29131985,-61.66364792,62.03051234
195.93643205,218.23614316,259.42020884,-1.45776670,0.30912679,1.42073631

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446641/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.1754

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-4.2246

>  <SCORE.INTRA.DIHEDRAL>
-2.25259

>  <SCORE.INTRA.DIHEDRAL.0>
6.67425

>  <SCORE.INTRA.POLAR>
-0.268958

>  <SCORE.INTRA.POLAR.0>
-0.731042

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.18385

>  <SCORE.INTRA.VDW.0>
-0.902328

>  <SCORE.INTRA.norm>
-0.176025

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.298975

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  224.4320  183.6657  245.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0728  183.3008  243.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7491  182.5141  242.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8547  182.7268  241.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7915  183.4967  242.3829 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.2983  183.8519  243.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0455  182.3205  240.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2938  182.4881  239.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4679  182.1665  238.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3964  181.6760  237.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1489  181.5220  238.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9710  181.8521  239.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5573  181.7244  242.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3970  180.8520  241.5693 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.0891  180.4365  241.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4923  179.5636  240.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0943  179.1468  240.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0829  179.8348  241.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7384  179.5742  241.2343 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3356  178.6717  240.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9599  178.5607  240.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4840  177.7427  239.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3854  177.0240  238.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7606  177.0942  238.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2376  177.9207  239.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6874  178.0497  239.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5110  177.3099  239.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4915  181.1513  242.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3700  181.0868  243.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5115  181.9368  243.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 30  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-168.91209064,-171.31844621,16.56586829,222.12398885,180.66679538,240.99427847
0.38826672,0.38658107,1.12977488

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446650/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.60722

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.28

>  <SCORE.INTRA>
-3.79278

>  <SCORE.INTRA.DIHEDRAL>
-11.0696

>  <SCORE.INTRA.DIHEDRAL.0>
13.0105

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.74202

>  <SCORE.INTRA.VDW.0>
-2.44137

>  <SCORE.INTRA.norm>
-0.126426

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.153574

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000307

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  182.3996  205.4757  263.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2816  205.7449  262.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7004  206.6500  261.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.6335  208.0182  261.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0852  208.3301  259.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1362  209.6630  259.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8488  210.6665  260.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3545  210.3228  261.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2181  208.9870  261.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0153  212.1090  259.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3806  212.9114  260.6837 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8991  212.5210  258.9966 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8824  213.9374  258.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2977  214.4956  258.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9909  213.6251  257.3788 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1437  212.2515  257.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7502  211.6574  258.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0664  214.1112  256.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9893  214.2255  255.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0737  214.6793  254.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2638  215.0391  255.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3740  214.9415  256.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2939  214.4762  257.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5787  214.2858  258.9392 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  182.4233  207.1860  259.1253 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.1994  206.1594  259.9329 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 26  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-89.39495638,158.53056686,-115.48494607,183.97157115,211.39245290,259.02093164
-2.25491854,0.59663275,-0.13287780

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446651/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93074

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-1.46926

>  <SCORE.INTRA.DIHEDRAL>
-3.53654

>  <SCORE.INTRA.DIHEDRAL.0>
8.09984

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.29901

>  <SCORE.INTRA.VDW.0>
-0.38682

>  <SCORE.INTRA.norm>
-0.05651

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.266567

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002138

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  181.3644  210.4701  268.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7752  211.8271  267.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8302  211.6449  266.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3214  212.7746  265.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4334  212.5781  265.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0655  213.6640  264.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6001  214.9744  264.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4384  215.1532  265.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8052  214.0653  266.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2412  216.1320  264.1741 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4003  216.1383  263.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0031  215.1025  263.1235 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8300  217.4240  262.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3645  218.7418  262.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6621  219.2673  261.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7681  218.5450  261.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4076  217.4704  262.1648 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.1938  218.4512  259.7944 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2101  218.6860  258.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8264  217.5904  258.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0894  217.7360  257.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7547  219.0329  256.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8051  220.0540  257.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3666  219.7442  259.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1339  220.1774  260.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5709  216.6149  256.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8418  216.4821  255.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6302  219.3003  263.7916 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8216  217.0340  264.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.1664  219.8829  264.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.8608  219.8893  263.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
179.98690284,173.90422879,0.53627421,-5.70468951,98.12776119,-129.14305805
185.58245550,216.39269772,262.14752611,2.20949709,0.96949288,1.65161226

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446652/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.4181

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-1.9819

>  <SCORE.INTRA.DIHEDRAL>
-4.61298

>  <SCORE.INTRA.DIHEDRAL.0>
8.75183

>  <SCORE.INTRA.POLAR>
-0.1234

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.744152

>  <SCORE.INTRA.VDW.0>
-0.123501

>  <SCORE.INTRA.norm>
-0.0707821

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.336361

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  208.7408  194.4045  243.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6283  195.0989  243.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3192  195.3077  243.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6375  196.0350  242.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3261  196.5426  242.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9716  197.2349  241.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8977  197.4271  240.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1984  196.9347  240.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5464  196.2432  241.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7441  195.6621  241.9513 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9147  195.6877  241.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7470  194.8735  244.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5136  195.1428  245.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0275  194.7257  246.3929 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7239  195.0666  246.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9609  195.7246  246.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2498  194.6180  248.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0407  193.8465  248.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5321  193.4468  250.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2396  193.8085  250.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4375  194.5575  249.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9409  194.9592  248.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7597  193.4189  251.7395 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.6529  194.2781  247.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
179.69148356,176.74401700,-2.52070596,204.36520291,195.21522995,245.28858041
-0.97384794,-0.30349475,2.01651476

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446653/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.06528

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-1.33472

>  <SCORE.INTRA.DIHEDRAL>
-2.45692

>  <SCORE.INTRA.DIHEDRAL.0>
2.4906

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.106259

>  <SCORE.INTRA.VDW.0>
-0.098856

>  <SCORE.INTRA.norm>
-0.0580312

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.307186

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000227

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  208.6782  195.5220  234.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5678  194.8086  235.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4732  194.1967  236.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3874  193.5026  237.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9585  192.2009  237.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8563  191.5380  239.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1813  192.1987  240.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6310  193.4826  240.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7238  194.1517  238.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1427  195.3876  238.8219 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1752  195.7768  237.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9286  194.1683  241.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4234  195.2869  241.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8045  193.5098  242.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1341  194.1862  243.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9908  193.5982  244.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5219  192.3321  245.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1929  191.6553  243.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3337  192.2474  242.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0429  191.5438  241.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5018  190.4292  241.9056 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3521  190.2864  239.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0455  189.1401  238.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6458  191.5604  236.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2635  190.9945  235.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9836  190.3347  234.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7 20  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  3  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-6.76719569,-0.93215243,-53.41157002,54.02984284,207.99848533,192.84336254
239.64001349,0.89043350,1.04549163,-0.97281676

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446654/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.6318

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-5.7682

>  <SCORE.INTRA.DIHEDRAL>
6.24899

>  <SCORE.INTRA.DIHEDRAL.0>
9.39528e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.89269

>  <SCORE.INTRA.VDW.0>
7.40686

>  <SCORE.INTRA.norm>
-0.221854

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.139685

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004218

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  207.7117  189.9189  243.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8837  189.1430  244.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1915  187.7787  244.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3882  189.0040  244.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6799  188.5203  246.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2757  189.5316  247.3759 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.7804  189.6610  247.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0314  188.6980  247.6295 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3098  190.9172  247.2416 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0394  192.0138  246.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3210  191.9562  246.8053 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0248  190.8093  247.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2509  190.7786  246.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3239  192.9984  246.6930 O   0  5  0  0  0  0  0  0  0  0  0  0
  209.7363  189.0395  248.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4140  190.0281  249.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6027  189.7934  250.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3169  191.1008  247.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  1  14  -1
M  END
>  <CHROM.1>
167.25635865,-66.29603967,68.10918580,177.47554706,117.94575545,208.61769876
190.03651731,246.85110632,2.58929807,1.28270739,-2.78566460

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446656/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.41621

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-0.983793

>  <SCORE.INTRA.DIHEDRAL>
0.910114

>  <SCORE.INTRA.DIHEDRAL.0>
0.107934

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.43885

>  <SCORE.INTRA.VDW.0>
-0.323391

>  <SCORE.INTRA.norm>
-0.0578702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.553895

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  224.6658  183.0367  233.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7347  183.0631  232.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0182  183.3825  233.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2479  183.6843  234.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1823  183.6730  235.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8861  183.3457  235.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8114  183.3326  235.9995 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.5582  183.0225  235.5997 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8456  183.1233  236.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4783  182.9014  236.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0290  183.1238  238.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8637  183.5464  239.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2539  183.7501  239.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7319  183.5297  237.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9785  183.6279  237.3155 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3483  183.7830  240.6037 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0311  183.6628  241.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0837  183.3383  240.3215 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8355  183.9531  242.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6810  183.9209  243.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0543  184.2745  244.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4092  184.5105  244.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8964  184.3184  243.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4477  185.0185  245.9439 Br  0  0  0  0  0  0  0  0  0  0  0  0
  228.4596  183.4074  232.0361 Br  0  0  0  0  0  0  0  0  0  0  0  0
  221.0030  184.0847  241.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-0.04252381,-0.42425247,-179.15821704,222.80574070,183.78884327,238.59912087
0.97075512,-0.18607838,-1.79722168

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446666/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.31707

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-0.0829282

>  <SCORE.INTRA.DIHEDRAL>
-0.168013

>  <SCORE.INTRA.DIHEDRAL.0>
0.169544

>  <SCORE.INTRA.POLAR>
-0.00030071

>  <SCORE.INTRA.POLAR.0>
-0.135762

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00210054

>  <SCORE.INTRA.VDW.0>
-0.663774

>  <SCORE.INTRA.norm>
-0.00331713

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.332683

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  192.7777  206.1527  266.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3921  207.5156  266.6059 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2444  207.7281  267.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8917  208.5335  265.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6683  208.3188  264.8644 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3897  209.7734  266.1312 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9894  210.8990  265.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2977  212.0490  265.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0932  213.4837  264.6800 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.5640  212.8129  263.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0532  213.4429  261.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4934  213.0737  260.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4653  212.0877  260.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9831  211.4529  261.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5165  211.7943  262.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0469  211.1267  264.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4049  210.7756  265.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3522  210.1846  266.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5842  210.1590  265.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3694  210.7167  264.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8485  212.2477  265.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0523  211.2196  266.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6899  211.4153  266.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0786  212.6318  266.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8313  213.6547  265.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1984  213.4677  265.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7355  212.6958  266.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2915  213.8630  267.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
170.62667809,152.76659355,-0.86949678,134.49735786,192.30751907,211.23364922
264.95339655,0.01980070,-0.44564747,2.54975684

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446667/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.94814

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-4.45186

>  <SCORE.INTRA.DIHEDRAL>
-12.0491

>  <SCORE.INTRA.DIHEDRAL.0>
21.9514

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.5727

>  <SCORE.INTRA.VDW.0>
-0.165542

>  <SCORE.INTRA.norm>
-0.158995

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.176719

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003124

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  198.9193  186.0714  238.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2296  185.4957  240.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5730  184.1391  240.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8560  183.6614  241.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7958  184.5178  242.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4566  185.8516  242.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1751  186.3388  241.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0663  184.0793  243.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6533  183.1609  239.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2859  183.1344  243.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
0.00262515,199.53640467,184.77700533,241.07716377,2.24095255,1.30683854,-2.07571456

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446668/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39994

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-6.46658e-05

>  <SCORE.INTRA.DIHEDRAL>
-0.000188363

>  <SCORE.INTRA.DIHEDRAL.0>
0.000188394

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.95155e-05

>  <SCORE.INTRA.VDW.0>
0.309501

>  <SCORE.INTRA.norm>
-7.18509e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.599993

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005835

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  212.4127  192.7487  237.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5304  191.7458  237.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3054  192.1326  239.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1824  191.6935  240.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0369  192.1317  241.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0770  193.1124  241.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1364  193.4669  240.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2477  192.9781  239.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1149  193.8709  243.2661 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.3051  193.1005  244.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4159  192.4565  245.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5958  192.9691  244.8696 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4611  193.9613  243.8816 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6286  194.6939  243.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6957  194.4709  244.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6658  195.7718  242.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0738  195.5577  241.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1110  196.4724  240.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8171  197.6518  240.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4769  197.8796  241.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4235  196.9561  242.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2701  197.3198  243.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1000  191.3090  245.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2152  190.8479  246.6121 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.2351  191.6644  246.9689 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.5605  190.2395  245.3428 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.5461  195.1700  243.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0673  195.6840  242.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <CHROM.1>
-89.67333770,-89.65752995,-61.76811097,-179.05735302,-45.73871701,212.16704349
193.68032559,242.68933492,1.01280442,-1.00389649,-1.45013163

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446669/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
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>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
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>  <SCORE.heavy>
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>  <SCORE.norm>
0.313625

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <CHROM.1>
79.51883230,98.57564014,-50.62064341,102.99119723,-62.48844292,101.49451974
10.69065900,136.66614952,202.19553127,201.81756979,249.45392032,1.91707969
0.35823177,-2.65673806

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446670/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.148396

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
124127  0  0  0  0  0  0  0  0999 V2000
  211.4126  189.4175  242.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
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  209.5713  186.3483  239.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5485  187.3904  239.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
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  214.5240  190.3771  239.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
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 46115  1  0  0  0  0
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 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 51 52  2  0  0  0  0
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 53 54  1  0  0  0  0
 53116  1  0  0  0  0
 54 55  1  1  0  0  0
 54 71  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 59117  1  0  0  0  0
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 60 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 69  1  0  0  0  0
 64 65  2  0  0  0  0
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 66 67  2  0  0  0  0
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 67 70  1  0  0  0  0
 68 69  2  0  0  0  0
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 73118  1  0  0  0  0
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 78119  1  0  0  0  0
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 79120  1  0  0  0  0
 80 81  2  0  0  0  0
 80 82  1  0  0  0  0
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 94 95  1  0  0  0  0
 95 96  2  0  0  0  0
 95 97  1  0  0  0  0
 97 98  1  1  0  0  0
 97102  1  0  0  0  0
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102103  1  0  0  0  0
102122  1  0  0  0  0
103104  2  0  0  0  0
103105  1  0  0  0  0
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106107  1  0  0  0  0
106108  1  0  0  0  0
106109  1  0  0  0  0
110123  1  0  0  0  0
110124  1  0  0  0  0
M  END
>  <CHROM.1>
-77.75960143,-127.60909674,-70.06381212,113.29790200,-43.50632925,-55.19241368
167.10738921,44.45184791,157.42162491,127.88073197,79.94777317,-12.40031929
-179.38920461,-64.26860268,153.27087396,-179.07241143,-35.20771142,97.00867266
-53.18003382,103.67107838,176.14730699,-60.93382705,-179.02259564,122.83279637
-60.97293926,-70.51460229,111.30524408,67.78569464,-173.96103023,-59.54139440
-79.52214041,179.00938074,-176.76075880,-87.99673259,137.36745697,-10.05781455
-177.36361350,-79.27592335,83.85097599,60.70639736,131.40007072,-66.24323947
161.94307184,172.45166226,-58.87653414,165.84715233,174.92132661,-63.14912941
-175.63509159,-57.99483201,210.08349682,185.52745219,249.77996958,-1.55774203
1.23124269,1.52744015

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446671/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-23.5895

>  <SCORE.INTER>
54.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
49

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494545

>  <SCORE.INTRA>
-77.9895

>  <SCORE.INTRA.DIHEDRAL>
-9.69382

>  <SCORE.INTRA.DIHEDRAL.0>
43.0605

>  <SCORE.INTRA.POLAR>
-1.89566

>  <SCORE.INTRA.POLAR.0>
-2.05589

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-66.6974

>  <SCORE.INTRA.VDW.0>
41.0321

>  <SCORE.INTRA.norm>
-0.708996

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
110

>  <SCORE.norm>
-0.21445

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.033799

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 45  0  0  0  0  0  0  0  0999 V2000
  199.4860  224.7437  259.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4755  225.7372  259.8649 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1625  226.9495  259.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2061  227.8367  259.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2299  229.1857  259.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1335  229.6350  258.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9208  228.6799  257.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9639  227.3554  258.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2267  231.0895  258.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3930  231.5447  256.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9504  231.2578  256.8249 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4524  230.0917  256.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
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  197.4005  233.4094  257.5026 O   0  0  0  0  0  0  0  0  0  0  0  0
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  197.6806  227.0375  254.7203 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1478  229.0452  255.7686 N   0  0  0  0  0  0  0  0  0  0  0  0
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  195.8029  229.5938  253.3196 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.1504  227.5331  253.3748 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.8916  229.0744  254.2332 F   0  0  0  0  0  0  0  0  0  0  0  0
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  194.6348  226.3245  258.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9848  227.1162  258.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1749  228.8394  258.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8536  229.2820  258.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
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  194.5983  231.3202  259.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8899  230.8418  259.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2124  229.6142  259.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3283  232.8775  260.6256 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.2455  227.3880  260.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6523  227.6183  262.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0768  232.7483  257.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1498  228.9201  255.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7304  226.7513  255.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  6  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <CHROM.1>
73.44801362,94.68748746,-93.85151993,53.92886058,-91.34552373,46.64872400
-47.78220671,-177.05976575,65.55040297,196.80820421,229.18929895,257.66533682
-0.12062346,0.74023694,-2.13855797

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446672/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.79509

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.369231

>  <SCORE.INTRA>
-7.60491

>  <SCORE.INTRA.DIHEDRAL>
-2.7352

>  <SCORE.INTRA.DIHEDRAL.0>
16.7517

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.23731

>  <SCORE.INTRA.VDW.0>
-6.21225

>  <SCORE.INTRA.norm>
-0.194998

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.174233

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 54  0  0  0  0  0  0  0  0999 V2000
  207.6498  204.9990  241.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2855  203.6540  241.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8202  202.6150  242.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7035  202.6016  243.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2776  201.3631  241.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7954  200.4518  242.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2972  201.4135  240.1883 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7601  200.2840  239.4487 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0220  200.7733  237.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2097  199.6008  237.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0834  198.2202  237.5572 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.8486  197.9382  238.3608 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.5367  198.9551  239.4892 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.0108  197.9050  240.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9077  197.4380  239.0745 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.3153  197.5490  239.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1526  196.2680  239.6322 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.5677  195.5623  240.5930 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.5031  196.1652  240.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0153  194.9243  240.6992 N   0  0  1  0  0  0  0  0  0  0  0  0
  213.4928  195.1250  242.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6985  196.7387  242.7586 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1778  197.8169  241.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6413  197.3799  239.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3220  195.5382  239.1806 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.4332  194.3778  238.6501 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.6202  194.0716  239.9316 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.3318  193.2390  239.7817 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.2522  193.9077  238.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9337  195.2483  239.6458 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.8469  195.9280  238.8151 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.4385  195.4190  238.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5408  196.4069  238.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4773  195.0401  240.9848 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7690  192.8732  241.0652 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3603  193.1462  240.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1789  193.1415  238.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7600  194.7615  237.4605 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7632  196.5599  243.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4853  196.5073  238.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8726  199.6512  239.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4471  197.6334  236.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1982  195.9109  241.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.4326  193.6930  241.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8520  193.0734  241.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4179  195.0806  236.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6327  195.6515  237.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1557  200.0805  239.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  6  0  0  0
 12 33  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  6  0  0  0
 14 15  1  0  0  0  0
 15 31  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  6  0  0  0
 18 27  1  0  0  0  0
 18 19  1  6  0  0  0
 20 19  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  6  0  0  0
 23 24  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 37  1  6  0  0  0
 26 38  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  1  1  0  0  0
 28 29  1  0  0  0  0
 28 35  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  1  1  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 34 43  1  0  0  0  0
 35 44  1  0  0  0  0
 36 45  1  0  0  0  0
 38 46  1  0  0  0  0
 40 47  1  0  0  0  0
 41 48  1  0  0  0  0
M  END
>  <CHROM.1>
-176.15921455,-178.06000695,-178.83279222,76.53278039,-153.22266917,54.11866129
63.74712573,69.02765240,59.74484636,209.24447177,197.33462228,239.96084856
-2.41792667,0.55515501,-2.53954708

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446673/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.65973

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2

>  <SCORE.INTRA>
-10.0597

>  <SCORE.INTRA.DIHEDRAL>
-8.84694

>  <SCORE.INTRA.DIHEDRAL.0>
12.3646

>  <SCORE.INTRA.POLAR>
-0.150217

>  <SCORE.INTRA.POLAR.0>
-0.981165

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.12553

>  <SCORE.INTRA.VDW.0>
7.0265

>  <SCORE.INTRA.norm>
-0.239517

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
-0.0395175

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002240

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  192.1410  212.3877  254.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3174  212.3827  253.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1363  212.8115  252.1286 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.5852  212.7723  250.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8444  211.9280  252.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1959  211.7484  253.6059 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3929  212.9160  253.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3153  210.5690  253.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9231  214.1927  252.5966 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0095  215.0450  252.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2591  214.8432  251.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1045  216.3678  252.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2903  217.4083  252.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3809  218.6897  252.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2858  218.9439  253.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0986  217.9173  254.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0114  216.6330  253.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
177.82821291,56.07134767,178.32711579,78.33333128,-3.60847168,175.02940257
190.24398160,214.44402525,252.90976155,-1.57358666,-0.02012355,0.04093494

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446682/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.01987

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-8.38013

>  <SCORE.INTRA.DIHEDRAL>
-9.55655

>  <SCORE.INTRA.DIHEDRAL.0>
10.2244

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.60186

>  <SCORE.INTRA.VDW.0>
2.3543

>  <SCORE.INTRA.norm>
-0.492949

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.177639

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.087390

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  198.7225  221.0968  261.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2301  220.9122  260.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0906  222.2985  259.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7466  220.5308  260.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0475  219.1983  261.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0280  218.3269  260.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3636  217.8199  259.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3612  216.8380  259.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6751  216.4368  258.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9526  217.0759  256.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9712  218.0208  256.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6786  218.3909  257.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2523  216.8059  255.7165 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.7035  215.4806  258.2258 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5340  214.4760  257.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2917  213.8369  257.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0116  212.8219  256.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9752  212.4416  255.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2314  213.0454  255.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5216  214.0391  256.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4130  219.8843  259.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4238  219.9181  258.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6826  219.0018  257.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9191  218.0327  258.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8973  217.9678  259.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6376  218.8844  260.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9953  216.9146  257.1806 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
62.75116787,158.28380145,134.51403527,-69.41090485,-71.49438955,-140.99645814
-159.32553643,198.88585769,217.42424095,258.25173381,1.35843330,-0.11117924
0.53669781

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446683/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4862

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-1.91383

>  <SCORE.INTRA.DIHEDRAL>
5.4795

>  <SCORE.INTRA.DIHEDRAL.0>
4.40902

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.65358

>  <SCORE.INTRA.VDW.0>
0.795662

>  <SCORE.INTRA.norm>
-0.0708824

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.388377

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  208.9161  193.5297  252.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5737  194.8420  251.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1510  196.1392  252.2121 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.6874  195.5639  250.9098 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.4327  196.3473  249.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4985  197.5700  249.7031 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1100  195.5961  248.5473 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8398  196.1265  247.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4539  195.2433  246.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1407  195.7253  244.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2408  197.0883  244.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6617  197.9838  245.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9481  197.4868  246.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8214  199.4560  245.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2611  199.8449  244.2193 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.2538  200.2428  246.3550 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.1283  199.8328  245.3289 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.9893  196.1553  253.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5995  195.9619  254.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9509  195.6838  255.1118 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.7645  195.9728  255.9638 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.1340  194.9015  251.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9846  194.5997  248.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  1  0  0  0
  4  5  1  6  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-71.70951070,108.31223111,-176.52407880,12.88896184,208.97969470,196.72007066
249.84728361,1.36303974,1.23899349,2.06871241

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446684/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.11922

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-1.28078

>  <SCORE.INTRA.DIHEDRAL>
-1.41616

>  <SCORE.INTRA.DIHEDRAL.0>
5.04687

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.572705

>  <SCORE.INTRA.VDW.0>
-1.7471

>  <SCORE.INTRA.norm>
-0.0582175

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.369055

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000635

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  210.3022  196.8412  249.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4067  196.7744  248.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2410  196.5864  247.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2483  195.5912  246.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1007  195.3759  246.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9486  196.1538  246.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9488  197.1411  247.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0823  197.3488  247.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7330  195.8782  245.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6422  195.0878  244.3001 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8394  194.5189  243.8708 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0206  193.2928  244.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1849  192.4915  244.9350 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5508  192.5616  243.7996 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.4288  196.5578  245.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5333  195.6184  246.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2677  195.0698  247.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1403  195.5056  248.8780 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1247  194.0725  247.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4213  194.9100  246.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3958  193.5028  246.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4980  192.0344  244.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8532  192.8819  245.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.3017  191.3930  244.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.6258  193.7320  248.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-132.01211441,118.67139599,-10.05812151,-98.90337841,101.46348091,84.96085114
177.01563845,55.65724697,99.59830952,178.15729818,207.31172905,195.06835328
246.38025781,0.56476536,-0.07633376,0.87437888

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446685/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.84029

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.685714

>  <SCORE.INTRA>
-5.55971

>  <SCORE.INTRA.DIHEDRAL>
2.97655

>  <SCORE.INTRA.DIHEDRAL.0>
10.3249

>  <SCORE.INTRA.POLAR>
-0.881249

>  <SCORE.INTRA.POLAR.0>
-0.118751

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.05174

>  <SCORE.INTRA.VDW.0>
2.34703

>  <SCORE.INTRA.norm>
-0.264748

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.420966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  196.3140  226.6658  252.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5965  225.4856  253.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3820  224.5963  252.8774 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8351  225.4082  254.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0578  226.3090  254.7979 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0312  224.2622  255.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8614  223.2923  255.1982 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7745  222.2028  256.2265 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2967  221.8436  256.6349 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.7895  220.6666  255.9132 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6207  219.7020  255.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9024  219.7761  256.1734 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4763  220.9404  255.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4703  220.9372  255.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2821  218.5436  255.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3719  222.9835  256.4538 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1006  224.2268  256.6927 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.2365  225.3224  256.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2742  222.8425  257.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8436  219.8306  257.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4435  218.5540  254.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6435  217.7115  255.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6622  225.0307  257.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7701  222.1258  256.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 17  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  6  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <CHROM.1>
-1.24570850,-0.20365312,90.79173178,-74.99700277,171.66993491,195.83884765
222.95217312,255.39538952,-1.60333031,-0.72729939,2.81751951

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446686/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.8091

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-3.5909

>  <SCORE.INTRA.DIHEDRAL>
-10.0359

>  <SCORE.INTRA.DIHEDRAL.0>
11.0922

>  <SCORE.INTRA.POLAR>
-0.0344757

>  <SCORE.INTRA.POLAR.0>
-0.0740321

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.54427

>  <SCORE.INTRA.VDW.0>
-0.868532

>  <SCORE.INTRA.norm>
-0.188995

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.253111

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002798

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  215.4131  179.7183  240.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6593  179.4370  241.8049 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.0750  179.8278  242.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3692  181.3305  242.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2856  179.3738  243.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3271  178.9603  241.3365 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.3506  180.2583  242.7351 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <CHROM.1>
62.32911398,216.45088430,179.78200819,242.06104967,2.87924840,-0.19552502
1.31721090

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446687/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37007

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-0.0299274

>  <SCORE.INTRA.DIHEDRAL>
0.0559088

>  <SCORE.INTRA.DIHEDRAL.0>
0.0423644

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.91001

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.072037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  197.3381  228.6372  246.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8308  228.1115  247.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7905  226.7731  247.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1600  226.5593  249.5363 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.9060  228.2338  249.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3119  228.9482  248.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1746  225.5904  247.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0532  224.4140  247.7397 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4764  223.2803  247.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3408  222.0388  247.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8246  220.8689  247.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4559  220.9187  245.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5966  222.1612  245.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1206  223.3305  245.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9802  219.7881  245.1517 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9622  218.4792  245.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4854  218.0626  246.6441 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6091  217.5129  244.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4185  219.9681  244.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.61201964,178.95621668,0.06279453,197.55706241,223.66710042,247.11010054
-2.19606296,-1.12931483,2.88026862

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446688/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.52587

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-0.874126

>  <SCORE.INTRA.DIHEDRAL>
-2.624

>  <SCORE.INTRA.DIHEDRAL.0>
2.64481

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.437875

>  <SCORE.INTRA.VDW.0>
-0.222265

>  <SCORE.INTRA.norm>
-0.0485625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.418104

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  203.3803  204.5409  250.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9378  203.1722  251.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0677  203.1864  252.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5243  202.8608  250.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3775  203.3380  251.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0976  202.9790  250.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9402  202.1462  249.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0599  201.6987  249.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3368  202.0671  249.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9041  202.2271  250.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4742  200.8963  251.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4133  199.9248  250.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0766  198.5183  251.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3469  199.9568  249.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7945  200.3269  251.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9853  200.0195  250.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2297  200.3792  251.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3149  201.0417  252.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1514  201.3410  252.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9045  200.9839  252.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-84.41138402,-177.03213588,179.93473038,175.47916150,-151.98644413,203.66791712
201.57908310,250.98640142,-2.93706903,0.30132374,-2.65229878

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446689/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.22742

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-1.17258

>  <SCORE.INTRA.DIHEDRAL>
0.106392

>  <SCORE.INTRA.DIHEDRAL.0>
1.53181

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.22578

>  <SCORE.INTRA.VDW.0>
2.2815

>  <SCORE.INTRA.norm>
-0.058629

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.461371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018852

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  199.6754  217.8443  247.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2436  218.0051  247.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5130  219.0599  246.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5610  220.3486  247.2600 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7373  221.0864  246.4336 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1346  220.3433  245.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4992  218.6788  245.6467 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.2266  220.8637  244.6428 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5742  220.1956  243.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7634  219.0274  243.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5137  221.0701  242.8905 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2489  220.5775  241.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1267  221.3708  240.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4888  220.5643  240.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2679  221.1076  243.7392 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3424  221.8620  245.2625 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.3454  222.8984  245.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9951  222.1589  245.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0345  220.6337  246.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7682  221.0421  247.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3327  220.0805  248.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1282  218.7183  248.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3820  218.3160  246.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8310  219.2719  246.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6403  217.7246  248.8404 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1156  218.2316  250.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9057  219.5158  249.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0784  220.5473  249.3472 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1126  221.8691  244.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8851  220.1740  243.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-84.63903371,177.29372812,155.24019116,175.56940102,65.05345793,30.18080636
151.93695126,194.65875935,220.07947752,245.84219845,-0.94331842,0.44755547
-1.45389518

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446698/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.59305

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-6.80695

>  <SCORE.INTRA.DIHEDRAL>
-3.66866

>  <SCORE.INTRA.DIHEDRAL.0>
8.75038

>  <SCORE.INTRA.POLAR>
-0.192597

>  <SCORE.INTRA.POLAR.0>
-0.135066

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.31779

>  <SCORE.INTRA.VDW.0>
-4.18956

>  <SCORE.INTRA.norm>
-0.243105

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.199752

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  203.6197  226.8705  249.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2636  226.2202  249.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5687  226.1217  248.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9553  225.7808  251.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7718  225.1245  251.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6095  224.8059  252.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4325  224.1791  253.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3850  223.8369  252.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5910  224.1561  251.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7579  224.7744  250.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2334  223.1889  252.9100 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9306  223.0460  254.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2116  221.6524  254.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9015  221.1353  254.6900 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.1183  222.9199  251.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1251  221.4654  251.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6620  221.0779  250.6760 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.6110  226.0114  251.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
-177.18964229,11.57061431,-102.86870326,100.85229068,57.09947143,-58.61908174
199.10640591,223.46831662,252.02096696,-0.58995295,0.66364377,1.78521638

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446699/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.61194

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-2.78806

>  <SCORE.INTRA.DIHEDRAL>
-3.74389

>  <SCORE.INTRA.DIHEDRAL.0>
7.13197

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.916121

>  <SCORE.INTRA.VDW.0>
-0.223842

>  <SCORE.INTRA.norm>
-0.164004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.506584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001828

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  201.6738  226.3280  254.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9601  227.0018  253.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9854  227.0710  252.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7446  226.4625  252.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6090  226.4470  251.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5424  225.9090  252.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8126  227.1229  250.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9174  227.1373  249.6709 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1014  227.7357  250.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1047  227.7070  251.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1830  228.3460  250.6450 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8816  228.8053  249.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5766  228.4203  249.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8638  229.5243  248.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0000  229.7669  248.9693 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4066  229.9242  247.3845 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4446  225.8373  254.0078 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4174  225.7820  254.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0625  225.0893  256.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8256  224.9823  257.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7945  224.6236  256.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3364  227.5459  253.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7939  227.8989  252.3491 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0437  227.6369  254.5644 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1109  228.4394  251.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0511  230.4243  246.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3639  224.8233  255.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9553  227.9819  254.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <CHROM.1>
164.48888728,0.64863056,178.89889234,1.13971580,0.99740635,179.74734202,200.99782693
227.22299327,252.18609962,-1.86464608,-0.33980897,-1.15885338

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446700/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.7727

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-2.6273

>  <SCORE.INTRA.DIHEDRAL>
-3.59346

>  <SCORE.INTRA.DIHEDRAL.0>
4.3831

>  <SCORE.INTRA.POLAR>
-0.348952

>  <SCORE.INTRA.POLAR.0>
-0.485083

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.35587

>  <SCORE.INTRA.VDW.0>
0.671743

>  <SCORE.INTRA.norm>
-0.109471

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.240529

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007403

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  197.8962  209.7336  261.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6682  209.2793  260.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8406  207.8377  260.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3994  209.3631  261.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8677  210.7501  261.9790 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.7975  211.7330  260.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6638  213.1453  261.3910 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.4131  213.0116  262.7416 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7202  211.5679  262.9298 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5720  211.0378  263.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4681  209.8476  264.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7290  211.8224  264.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8638  213.2004  264.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7438  214.0678  265.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6002  213.5698  266.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5141  212.1852  266.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6046  211.3562  265.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4230  214.4177  267.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5883  215.0555  266.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6251  215.5844  267.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0499  213.6628  268.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7987  215.4162  264.8442 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8842  215.8129  263.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7279  213.5184  263.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0668  212.7360  264.8253 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4867  213.4827  265.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7968  214.8224  265.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8554  215.1572  264.5069 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.2724  213.8303  261.2649 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.2628  213.2610  262.1374 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3903  212.5414  261.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8089  212.8850  259.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8243  213.6676  259.8688 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3733  215.3482  261.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3821  210.3986  262.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5994  209.8138  261.5995 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9675  210.7287  263.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6179  213.9802  262.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6186  211.2608  264.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 29 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  1  1  0  0  0
 30 31  1  0  0  0  0
 30 38  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
>  <CHROM.1>
64.22306014,49.45325012,-50.38399427,72.37042525,97.79217070,7.14728851,-46.62769964
-73.01257262,6.73634231,195.95065561,212.66453035,263.52150833,-2.54564696
-0.45332384,0.52636054

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446701/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.59817

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.362162

>  <SCORE.INTRA>
-3.80183

>  <SCORE.INTRA.DIHEDRAL>
-2.41173

>  <SCORE.INTRA.DIHEDRAL.0>
12.0068

>  <SCORE.INTRA.POLAR>
-0.274864

>  <SCORE.INTRA.POLAR.0>
-0.71701

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.66143

>  <SCORE.INTRA.VDW.0>
-4.08449

>  <SCORE.INTRA.norm>
-0.102752

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.25941

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000917

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  183.4824  206.4388  257.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6024  207.5201  256.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4689  208.6919  257.0522 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.2667  208.3206  258.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2683  206.9459  258.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5242  210.0271  256.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7372  210.2593  255.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7987  211.5658  254.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6503  212.6478  255.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4363  212.4355  256.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3715  211.1306  257.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7326  214.2516  254.9173 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-0.24003817,183.55308093,210.53170408,256.34535962,-1.85205801,1.41287383
-0.08879028

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446702/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3913

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.00869515

>  <SCORE.INTRA.DIHEDRAL>
-0.0217691

>  <SCORE.INTRA.DIHEDRAL.0>
0.0218755

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00218941

>  <SCORE.INTRA.VDW.0>
0.146499

>  <SCORE.INTRA.norm>
-0.000724596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.532609

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007951

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  199.9220  202.2812  249.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8099  203.2730  249.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8201  204.2190  248.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8104  202.9759  250.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6892  203.8752  250.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6046  203.4676  251.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0541  202.0737  250.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0060  201.8240  250.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4778  200.5372  249.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9912  199.4863  250.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0404  199.7206  251.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5685  201.0055  251.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
179.88054556,179.73225966,-58.37398180,-85.74754698,196.34411241,202.13230093
250.25837411,-0.59122758,-0.19471963,2.95053753

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446704/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.37789

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.02211

>  <SCORE.INTRA.DIHEDRAL>
-1.68132

>  <SCORE.INTRA.DIHEDRAL.0>
2.37412

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.181454

>  <SCORE.INTRA.VDW.0>
0.175398

>  <SCORE.INTRA.norm>
-0.085176

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.698157

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.095550

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  206.9652  217.1764  258.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5605  217.4230  259.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8942  218.7834  259.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2159  218.8688  258.6750 Hg  0  0  0  0  0  0  0  0  0  0  0  0
  202.5375  218.9541  257.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3768  217.6298  256.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6126  217.3218  255.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
58.82443348,179.25866810,-178.59595791,-58.77438167,204.35311369,218.56760061
258.46587408,-0.44723072,0.45831316,-2.24987569

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446705/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.34286

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.12377

>  <SCORE.INTRA.VDW.0>
-0.795809

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.166785

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  208.2406  191.6809  237.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0539  190.8122  238.4496 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9400  190.7595  239.9555 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.4086  190.4912  240.5364 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.0272  189.2926  239.9122 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6449  188.9569  238.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3320  187.8841  238.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0961  187.5256  236.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1529  188.2276  235.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4580  189.2908  236.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6983  189.7032  237.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6279  190.3526  242.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6963  189.3766  242.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9649  188.5924  243.0941 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5998  191.6264  242.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5212  192.6502  243.3189 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2221  191.9867  240.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0470  193.2112  240.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6810  194.1774  240.4984 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7437  191.6907  241.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3650  191.4163  243.0256 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1127  188.4435  240.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  1  0  0  0
  4  5  1  0  0  0  0
  4 12  1  1  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  3  0  0  0  0
 15 16  3  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  3  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <CHROM.1>
-71.58900941,51.04339950,209.63610343,190.47203343,240.02865692,1.12574848
1.14568129,-1.69199921

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446714/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49397

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-0.90603

>  <SCORE.INTRA.DIHEDRAL>
0.373096

>  <SCORE.INTRA.DIHEDRAL.0>
0.564554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09258

>  <SCORE.INTRA.VDW.0>
-1.74792

>  <SCORE.INTRA.norm>
-0.0431443

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.309237

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  182.9727  220.9173  254.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3495  220.2423  255.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7462  219.0025  254.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7617  218.4712  253.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3806  219.1315  252.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9886  220.3645  252.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3314  218.6525  251.2321 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.8264  217.4575  250.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2684  216.6201  251.5778 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.8099  215.4987  251.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8886  215.1404  249.7268 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.4699  216.0510  248.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9515  217.1923  249.4239 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.6058  215.8073  247.6303 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.1070  214.5035  251.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6319  213.4430  251.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.0632  214.9425  253.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0856  218.2186  256.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8586  216.9133  255.7105 F   0  0  0  0  0  0  0  0  0  0  0  0
  181.8245  218.2028  257.1708 F   0  0  0  0  0  0  0  0  0  0  0  0
  179.8727  218.7330  256.3742 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.8037  219.1935  250.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.6477  214.8243  247.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.3309  216.3952  247.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.5060  215.8191  253.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
-164.20911166,-6.68653769,1.60704459,179.72409667,-27.06246986,-0.16152009
181.36378059,217.35697341,252.77968326,-1.42346976,-1.05913294,-1.96738083

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446715/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.19639

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-1.20361

>  <SCORE.INTRA.DIHEDRAL>
-1.98985

>  <SCORE.INTRA.DIHEDRAL.0>
3.28998

>  <SCORE.INTRA.POLAR>
0.00773576

>  <SCORE.INTRA.POLAR.0>
-0.357111

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.234985

>  <SCORE.INTRA.VDW.0>
-0.587618

>  <SCORE.INTRA.norm>
-0.0573148

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.437923

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000431

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  208.1271  210.0277  244.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4616  209.8062  245.4198 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4789  210.7087  245.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3570  210.1651  246.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3137  210.9938  246.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4077  212.3795  246.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5232  212.9226  245.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5540  212.0849  245.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3661  213.2782  247.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5664  213.3947  248.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6239  213.4487  249.4545 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8849  213.5602  249.0546 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1720  214.0295  250.3431 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4518  214.2519  250.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6009  214.6411  251.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6277  214.0553  249.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3304  213.7915  248.4939 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4712  213.4538  247.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1908  214.4689  247.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3505  214.1816  246.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8386  212.8870  246.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1409  211.8783  247.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9174  212.1103  247.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1612  210.9494  248.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6233  209.6236  248.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9182  208.5594  248.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7027  208.7844  249.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2003  210.0763  249.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9271  211.1397  248.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6577  213.5027  248.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3980  214.3001  250.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
141.89728666,75.06902317,-142.42439581,-178.82422890,6.27354087,-171.60268274
-92.50679737,178.77925144,206.79698999,212.15887977,247.89963271,0.82030538
-0.16040523,-2.39568260

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446716/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.520045

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-13.92

>  <SCORE.INTRA.DIHEDRAL>
-8.55082

>  <SCORE.INTRA.DIHEDRAL.0>
19.2582

>  <SCORE.INTRA.POLAR>
-0.692261

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.29095

>  <SCORE.INTRA.VDW.0>
1.76516

>  <SCORE.INTRA.norm>
-0.480002

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
-0.0179326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000334

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  212.3692  182.4462  247.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5763  183.8966  247.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6367  184.6158  247.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7766  185.9918  247.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8553  186.6546  246.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8207  185.9343  245.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6922  184.5605  246.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8368  188.4536  246.5254 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.0595  188.8235  245.8250 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5673  188.8406  245.9337 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9811  188.9873  248.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2905  188.4987  249.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4552  187.3281  249.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8154  186.2357  250.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0881  185.0632  250.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1419  184.9292  249.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4184  183.6087  248.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6152  183.4605  247.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3386  184.5514  247.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8502  185.7548  247.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7407  185.9608  248.3122 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2692  187.2248  248.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8906  188.2252  247.8488 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6203  182.4796  249.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9752  186.3282  250.8630 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0893  185.3558  250.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4534  186.0527  251.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4105  186.8469  252.3124 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2179  187.7151  252.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9240  186.9016  252.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6050  187.2275  252.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0222  186.6131  254.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1225  187.0806  254.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8497  188.1744  254.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4926  188.7777  253.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3901  188.3033  252.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8000  190.1348  248.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4704  191.0580  248.5584 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  3  0  0  0  0
M  END
>  <CHROM.1>
69.91847001,-45.80512371,108.57124482,-126.37500938,-107.42355150,212.91975902
186.63081046,249.26484103,2.89242499,-0.71566449,-0.76625687

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446717/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.1897

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.273684

>  <SCORE.INTRA>
-6.2103

>  <SCORE.INTRA.DIHEDRAL>
0.657093

>  <SCORE.INTRA.DIHEDRAL.0>
13.1429

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.53884

>  <SCORE.INTRA.VDW.0>
-3.69759

>  <SCORE.INTRA.norm>
-0.163429

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.110255

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000471

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  217.5071  173.4126  235.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9722  174.3027  237.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7769  174.8226  238.2642 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.2749  173.5621  239.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1387  172.9032  239.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5258  173.8958  240.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0084  175.0479  240.0629 N   0  0  2  0  0  0  0  0  0  0  0  0
  217.0130  175.8290  239.3401 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.4901  177.4993  239.1361 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.1529  177.1778  239.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2891  175.9793  240.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1285  177.4847  237.6616 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.4892  176.8985  237.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9781  175.6208  237.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0258  177.4987  236.6524 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4930  178.7216  237.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5419  178.7764  238.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8804  179.9005  238.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2970  180.8802  238.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4902  180.8365  236.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1297  179.7185  236.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4689  179.6262  234.8249 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1478  181.7652  235.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4818  182.9545  236.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9846  176.5312  236.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2291  176.4252  237.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5894  175.6937  235.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1329  180.4392  234.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
-59.02829136,61.27120717,-1.42717349,-178.75294923,215.96340927,177.16941142
237.78172929,-0.67462078,1.08324935,-1.18329830

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446718/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.05535

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-4.34465

>  <SCORE.INTRA.DIHEDRAL>
-1.20022

>  <SCORE.INTRA.DIHEDRAL.0>
1.6849

>  <SCORE.INTRA.POLAR>
-0.2055

>  <SCORE.INTRA.POLAR.0>
-0.0818157

>  <SCORE.INTRA.REPUL>
-0.354241

>  <SCORE.INTRA.REPUL.0>
0.354241

>  <SCORE.INTRA.VDW>
-1.27464

>  <SCORE.INTRA.VDW.0>
4.03415

>  <SCORE.INTRA.norm>
-0.160913

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.150198

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  177.7476  205.2559  260.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6470  204.2307  261.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8713  204.3026  262.7167 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.9831  203.4508  263.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1405  202.6268  264.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3466  203.6164  264.3976 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.4500  203.4687  263.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1989  202.3566  263.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5913  204.5914  262.5027 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4595  204.7050  261.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2697  203.8775  261.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.2911  206.0444  260.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3218  204.9275  265.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4025  204.9678  266.1528 F   0  0  0  0  0  0  0  0  0  0  0  0
  181.5266  205.1256  265.7638 F   0  0  0  0  0  0  0  0  0  0  0  0
  180.1046  206.0036  264.3752 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
179.91864960,1.84307235,-53.14140750,-104.95439756,60.74024604,-176.82031954
-0.39315460,180.37946690,204.41488829,263.31843910,2.37674362,0.04392581
1.58449149

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446719/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.18675

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.775

>  <SCORE.INTRA>
-7.21325

>  <SCORE.INTRA.DIHEDRAL>
-12.4533

>  <SCORE.INTRA.DIHEDRAL.0>
13.8789

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
6.3689e-05

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.986932

>  <SCORE.INTRA.VDW.0>
-1.19141

>  <SCORE.INTRA.norm>
-0.450828

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.324172

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.081318

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  189.0947  217.5722  259.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2602  217.6073  260.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8358  218.9623  260.6261 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7814  219.9630  260.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5944  219.9164  259.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9408  218.5137  259.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1509  218.1300  261.0898 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8773  217.5704  262.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2696  218.3766  263.2116 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8678  217.8743  264.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0776  216.5006  264.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6877  215.6873  263.4131 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0885  216.1856  262.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8135  218.4480  261.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1781  219.0805  260.4859 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0532  218.0978  262.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7363  218.4616  262.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4003  217.9662  263.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5268  217.3276  264.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4948  217.4179  263.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8727  218.9761  261.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2789  218.5424  261.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3262  217.1273  260.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3354  216.0233  261.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4130  214.7213  261.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4863  214.5067  259.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4779  215.5942  258.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3966  216.8975  259.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
84.81464391,39.00852819,96.01747716,177.74969230,-61.10411976,-77.09952766
189.01904579,217.60268468,261.61169807,0.12309350,0.33707232,-0.88462387

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446720/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.10591

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-3.29409

>  <SCORE.INTRA.DIHEDRAL>
0.432326

>  <SCORE.INTRA.DIHEDRAL.0>
14.6228

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.51026

>  <SCORE.INTRA.VDW.0>
-0.851478

>  <SCORE.INTRA.norm>
-0.117646

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.289497

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  218.0706  177.4824  247.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5476  176.5262  248.8144 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.9215  176.8617  250.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4356  176.5002  250.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1904  175.0560  249.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8121  174.7871  248.5089 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2487  175.0683  248.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0432  174.2648  247.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8444  174.0103  247.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7796  174.0027  246.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2637  175.1572  245.4681 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3305  176.0549  245.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1327  176.0054  245.3121 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0052  177.2336  244.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2347  178.3644  244.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8487  179.5288  243.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2331  179.5633  243.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0068  178.4383  243.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3929  177.2744  244.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1556  181.3061  242.8509 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-66.20412584,-61.13666093,3.89936438,-171.35685285,217.73024992,177.98222458
245.39049378,-2.09618613,-0.96273114,-1.18203653

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446721/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.86756

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-5.53244

>  <SCORE.INTRA.DIHEDRAL>
-8.63436

>  <SCORE.INTRA.DIHEDRAL.0>
10.1719

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21526

>  <SCORE.INTRA.VDW.0>
0.252873

>  <SCORE.INTRA.norm>
-0.276622

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.193378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009879

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  210.1242  184.0649  251.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4420  185.3395  250.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0126  186.1533  251.6844 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3676  187.2962  251.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0962  187.6716  250.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5586  186.7988  249.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2378  185.6327  249.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3992  188.8829  249.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0076  189.7144  250.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2962  189.3459  252.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9580  188.1417  252.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2317  187.7608  253.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8299  190.4043  253.4199 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.9961  189.3977  248.1803 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.6967  186.9005  253.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
-0.02127743,207.95896296,188.02107855,250.98961925,-0.46569136,-1.06365374
1.45661323

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446722/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39944

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385714

>  <SCORE.INTRA>
-0.000564676

>  <SCORE.INTRA.DIHEDRAL>
-0.000341623

>  <SCORE.INTRA.DIHEDRAL.0>
0.000421419

>  <SCORE.INTRA.POLAR>
-0.000155495

>  <SCORE.INTRA.POLAR.0>
-0.360827

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000134818

>  <SCORE.INTRA.VDW.0>
0.338011

>  <SCORE.INTRA.norm>
-4.0334e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.385674

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000859

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  186.3310  214.9680  255.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3695  213.4701  255.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1500  212.5993  255.5608 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.6495  211.2058  255.6819 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1088  210.9922  255.5777 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.7741  212.6168  255.1042 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.8336  209.9429  254.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3453  210.1980  254.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2639  209.8391  254.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5104  212.9810  254.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3456  213.3109  254.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3002  212.7669  253.1123 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6225  213.3510  257.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8942  212.9478  252.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-121.85221654,176.25809519,185.88814583,212.23273206,255.05015141,0.94519415
-0.52761720,0.17966949

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446723/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.35039

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-3.04961

>  <SCORE.INTRA.DIHEDRAL>
-0.937873

>  <SCORE.INTRA.DIHEDRAL.0>
1.85185

>  <SCORE.INTRA.POLAR>
0.00994704

>  <SCORE.INTRA.POLAR.0>
-0.00994704

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.6145

>  <SCORE.INTRA.VDW.0>
0.974455

>  <SCORE.INTRA.norm>
-0.234586

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.257722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.134183

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  195.9179  210.1677  253.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9436  210.0062  254.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6493  210.1753  256.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6937  210.0224  257.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4645  210.2053  258.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7444  210.0988  259.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3348  210.2421  260.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <CHROM.1>
179.82457108,-179.78725761,179.94059112,179.77698070,195.26577812,210.13329337
257.27250327,-1.49926535,0.19207471,1.54438571

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446724/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.40032

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.34286

>  <SCORE.INTRA>
0.000321871

>  <SCORE.INTRA.DIHEDRAL>
0.000644084

>  <SCORE.INTRA.DIHEDRAL.0>
2.51517e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.70774e-07

>  <SCORE.INTRA.VDW.0>
-0.51033

>  <SCORE.INTRA.norm>
4.59816e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.3429

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.084513

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  223.1609  183.4538  234.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4356  182.7951  235.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4708  183.3440  236.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9646  182.2109  237.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0721  182.3468  237.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7192  181.0869  236.7353 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7195  181.4683  235.8133 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2013  180.4246  234.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7541  179.8724  237.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9359  179.1277  237.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9422  177.9014  238.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7591  177.3903  238.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5739  178.1144  238.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5755  179.3617  238.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9191  184.6037  236.3399 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3242  185.7933  235.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2356  185.9253  234.9493 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5505  187.0394  236.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0792  187.5674  237.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7762  186.8204  238.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1611  185.7654  238.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2754  187.4369  239.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0285  186.7546  240.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4718  187.2734  242.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1722  188.4847  242.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4309  189.1742  241.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9825  188.6476  239.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6360  189.0348  243.5142 N   0  3  0  0  0  0  0  0  0  0  0  0
  222.3892  188.3874  244.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2453  190.1131  243.4912 O   0  5  0  0  0  0  0  0  0  0  0  0
  220.1934  184.6483  237.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  2  28   1  30  -1
M  END
>  <CHROM.1>
-8.01039225,-143.99541715,84.06235777,-73.22627011,2.85246387,-179.76952613
221.73753860,184.33947752,238.42056536,1.79881164,1.51905132,-2.84589535

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446725/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.46436

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-2.93564

>  <SCORE.INTRA.DIHEDRAL>
-5.07448

>  <SCORE.INTRA.DIHEDRAL.0>
10.795

>  <SCORE.INTRA.POLAR>
-0.47899

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.23017

>  <SCORE.INTRA.VDW.0>
0.746788

>  <SCORE.INTRA.norm>
-0.0978546

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.282145

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000197

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  205.0093  190.9181  245.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9004  192.1415  244.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2492  192.7463  244.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0893  193.9832  243.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4364  194.6046  243.2214 N   0  3  2  0  0  0  0  0  0  0  0  0
  207.3652  195.6463  242.0747 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.5452  195.0814  240.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9159  193.6390  240.4832 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.8257  192.8408  241.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4835  193.6607  242.5699 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.5384  194.5970  241.9964 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.8145  195.8810  241.6715 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.4002  195.0712  240.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5470  193.6714  239.1791 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7210  193.9562  238.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5295  194.2288  238.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4939  193.9544  236.8158 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4986  195.1097  236.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5904  194.8342  237.7017 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1501  192.6041  236.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0256  192.0265  237.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5754  190.7618  237.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2722  190.0619  236.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4208  190.6272  235.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8627  191.8897  235.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0274  195.2949  244.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2442  194.7183  238.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  1  0  0  0
  6 12  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  6  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 13  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-179.15671557,-179.82243473,166.24604647,-71.44336368,3.06926593,-65.92947342
72.93343814,-55.78708591,-60.67619775,207.68846411,193.49506630,240.19408881
2.12024131,1.10556487,0.91919809

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446726/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.56194

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-7.83806

>  <SCORE.INTRA.DIHEDRAL>
-1.66058

>  <SCORE.INTRA.DIHEDRAL.0>
5.02514

>  <SCORE.INTRA.POLAR>
-1.54517

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.75418

>  <SCORE.INTRA.VDW.0>
0.2407

>  <SCORE.INTRA.norm>
-0.301464

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.213921

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.301360

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  214.7385  183.6476  245.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5486  182.6216  246.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4461  181.2375  245.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2407  180.1594  246.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7285  180.4072  246.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3105  180.9344  247.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6890  181.1371  247.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5246  180.8211  246.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9411  180.3146  245.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5536  180.1151  245.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9334  180.9850  246.5110 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.6504  181.4597  247.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2045  181.8177  248.6712 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1155  181.5239  247.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8485  181.9859  248.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3069  182.0934  248.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9477  181.7808  247.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.8577  182.5806  249.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4366  180.7130  245.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
  227.8279  182.6783  249.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
-179.81468127,-62.72200725,100.99268771,0.30188418,179.80732356,-0.15413644
-179.79066293,220.78083553,181.46777156,246.99145381,2.97727539,0.17904907
-2.56894583

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446727/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.6404

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-0.759624

>  <SCORE.INTRA.DIHEDRAL>
0.00390776

>  <SCORE.INTRA.DIHEDRAL.0>
0.738706

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.761578

>  <SCORE.INTRA.VDW.0>
0.589852

>  <SCORE.INTRA.norm>
-0.0422013

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.591132

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002944

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  220.9530  182.5342  255.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9777  182.8130  253.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8913  184.0292  253.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9327  184.1594  251.7000 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7024  182.8792  251.0490 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9079  181.6735  251.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8941  180.6335  250.9953 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0749  181.6947  252.9846 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9285  185.1325  251.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6280  185.1769  251.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6981  186.1335  251.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0668  187.0587  250.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3606  186.9734  249.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2854  186.0266  250.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3783  188.0952  249.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4855  188.8640  250.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0337  186.0210  252.1209 Br  0  0  0  0  0  0  0  0  0  0  0  0
  220.6867  185.2423  254.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4165  185.1917  255.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8243  186.4063  253.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3796  187.5738  254.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6908  188.8384  253.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7447  189.8867  253.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5114  189.1182  254.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8602  187.6340  254.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5561  182.8437  250.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.1519  180.7744  253.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-9.92195619,-40.80685184,35.75657012,168.46668008,174.68398415,219.06451106
185.66304775,252.33934749,-0.74818416,-0.70591182,0.44459363

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446728/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.04013

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-1.35987

>  <SCORE.INTRA.DIHEDRAL>
0.720171

>  <SCORE.INTRA.DIHEDRAL.0>
3.20812

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71995

>  <SCORE.INTRA.VDW.0>
0.320696

>  <SCORE.INTRA.norm>
-0.0543947

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.361605

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000122

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  204.2435  208.3044  248.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8597  207.0192  248.4875 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4091  207.0002  247.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2988  207.9894  246.4852 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0222  205.5742  246.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7308  205.1681  247.4412 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8537  204.3234  248.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7378  203.6808  249.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8601  202.7641  250.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1054  202.4589  250.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2038  203.1887  250.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0838  204.0929  249.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2889  201.4793  251.7885 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0825  200.7359  252.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9315  199.3640  251.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0798  198.2711  252.1109 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6200  199.5490  250.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4472  198.3770  249.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5419  201.2465  252.2728 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6036  200.3457  253.1146 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5229  205.3564  246.8471 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5550  206.1545  245.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-1.48296045,75.60206312,-102.87490339,-169.73631684,-15.34063972,1.54206288
98.32571203,-177.32858858,108.60029676,179.33150971,202.10125871,203.28883920
249.49811064,-1.37721999,0.75169381,2.46408454

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446738/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.4473

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-1.95274

>  <SCORE.INTRA.DIHEDRAL>
-5.3863

>  <SCORE.INTRA.DIHEDRAL.0>
12.6945

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.740414

>  <SCORE.INTRA.VDW.0>
3.55864

>  <SCORE.INTRA.norm>
-0.0887608

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.611239

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003510

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  200.0412  196.7559  249.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1661  196.6426  249.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1708  195.7320  249.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4002  194.7385  249.8883 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5081  194.4973  250.9109 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8884  193.4738  251.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0814  192.9570  252.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5444  191.8524  253.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8026  191.3743  254.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5950  191.9912  254.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1254  193.0783  254.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8678  193.5621  253.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6436  191.4686  256.2304 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.4391  190.0247  255.4056 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.0911  195.9943  247.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1989  195.1614  247.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0452  195.4177  246.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8553  196.4223  245.8165 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7839  197.2193  246.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8797  197.0477  247.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
0.88228771,-178.64102027,179.91498020,-179.85786036,201.50764954,193.81663878
251.47983024,1.15895797,0.55030748,-0.78575749

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446739/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.44708

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-0.952918

>  <SCORE.INTRA.DIHEDRAL>
-2.43713

>  <SCORE.INTRA.DIHEDRAL.0>
2.44921

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.265649

>  <SCORE.INTRA.VDW.0>
0.163929

>  <SCORE.INTRA.norm>
-0.0476459

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.422354

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000154

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  219.7133  182.1783  236.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2165  182.2833  237.0189 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.6496  182.1202  238.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5643  182.4232  238.6716 Br  0  0  0  0  0  0  0  0  0  0  0  0
  222.0734  180.8487  235.9753 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <CHROM.1>
-175.05370466,222.40300792,181.75171185,237.34419609,2.16638155,0.21489727
-2.18252736

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446740/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95868

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-0.441318

>  <SCORE.INTRA.DIHEDRAL>
-0.148262

>  <SCORE.INTRA.DIHEDRAL.0>
0.236143

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.367187

>  <SCORE.INTRA.VDW.0>
-0.126763

>  <SCORE.INTRA.norm>
-0.0882636

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.19174

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  195.6323  205.7518  255.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0589  207.0764  255.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0143  207.8753  254.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5450  207.3587  253.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1134  206.0253  253.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1589  205.2267  254.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4670  208.2425  252.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1464  208.8536  251.9572 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6717  209.7365  252.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7930  211.0707  252.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2899  211.8720  253.8807 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6335  211.3982  254.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2014  212.1475  255.8510 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4902  210.0430  255.0458 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9258  209.1592  254.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7522  207.9451  254.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4352  208.1375  251.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3847  212.8790  253.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0044  209.6695  255.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-92.31147110,63.59669838,92.24340811,194.11994756,208.79901716,254.04321718
0.33362651,-1.03809730,2.02318323

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446741/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.18851

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-2.21149

>  <SCORE.INTRA.DIHEDRAL>
-0.998119

>  <SCORE.INTRA.DIHEDRAL.0>
2.26812

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71243

>  <SCORE.INTRA.VDW.0>
-0.720765

>  <SCORE.INTRA.norm>
-0.138218

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.386782

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000225

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  227.7760  183.9252  242.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9731  185.1005  243.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6621  184.8140  244.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0341  185.9960  245.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1862  187.2638  245.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4431  188.4057  245.7025 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.7686  187.9704  247.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6557  186.6773  247.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2419  185.7222  246.5548 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.9626  186.3560  248.5338 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3101  187.3088  249.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6480  186.9802  250.3066 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4518  188.6283  248.9346 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.2332  189.0367  247.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4909  190.2169  247.6443 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8112  189.6633  249.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7599  184.9809  248.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4032  189.0207  244.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4858  190.3661  244.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5552  190.8288  243.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5755  190.0135  242.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4521  188.6978  243.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3651  188.2057  244.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7789  190.6602  242.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2630  192.0093  242.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4818  192.0962  242.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.1211  187.5588  243.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3961  188.7197  243.6132 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.7994  186.3950  243.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6735  185.2388  242.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2616  184.7681  246.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  6  0  0  0
  7 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
-117.90997072,224.60695207,187.97164704,245.42806807,-1.48621557,-0.91488750
2.02352775

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446742/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38283

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.213333

>  <SCORE.INTRA>
-0.017165

>  <SCORE.INTRA.DIHEDRAL>
0.00720331

>  <SCORE.INTRA.DIHEDRAL.0>
0.714865

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0207667

>  <SCORE.INTRA.VDW.0>
-1.97961

>  <SCORE.INTRA.norm>
-0.000572167

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.212761

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  194.2531  207.5815  254.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2112  206.8574  254.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9674  207.2946  252.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0068  206.7152  251.9709 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.2231  205.6880  252.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1898  205.0518  251.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1711  206.2998  250.7046 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.6093  207.0153  249.9870 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7851  207.1949  250.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7048  207.8280  249.8326 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0470  208.0028  248.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7758  207.5158  248.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8643  207.5636  247.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2770  208.1367  246.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6068  208.6417  246.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5048  208.5775  247.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3695  208.1818  245.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5688  208.6961  244.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4479  205.2004  253.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4598  205.7692  254.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6364  205.1998  255.8190 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7617  204.8669  256.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6731  204.0544  254.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 20  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
-179.90257154,-41.74731151,191.38884782,206.81573671,250.85417673,-1.27792424
-0.50975511,-1.12773086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446743/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74221

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-0.65779

>  <SCORE.INTRA.DIHEDRAL>
2.1214

>  <SCORE.INTRA.DIHEDRAL.0>
0.0229727

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71849

>  <SCORE.INTRA.VDW.0>
3.02948

>  <SCORE.INTRA.norm>
-0.0285996

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.29314

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  201.7120  208.9122  251.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4872  209.4119  251.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5425  209.4035  252.0538 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8365  208.9094  253.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0549  208.9001  254.2559 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0866  208.3650  253.4599 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0542  208.3078  252.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1472  207.7820  252.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2013  209.8874  251.7468 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0640  208.8430  251.7361 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.8603  209.7431  251.9506 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4105  210.8041  252.9248 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8296  210.9402  252.6593 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7575  212.1792  252.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0405  212.7401  251.5215 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4536  210.2447  250.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1003  207.8461  252.7577 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1865  209.9425  249.8468 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.3015  207.9540  254.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7314  212.0763  250.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1939  209.4930  250.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1704  208.2899  253.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  9  3  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <CHROM.1>
111.59134290,53.00835841,61.54580873,-64.44446938,55.35455124,198.66039891
209.64611103,252.14623247,-0.28830760,0.32542496,-0.99484424

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446744/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.09846

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-6.30154

>  <SCORE.INTRA.DIHEDRAL>
-9.86461

>  <SCORE.INTRA.DIHEDRAL.0>
13.0185

>  <SCORE.INTRA.POLAR>
-0.0301876

>  <SCORE.INTRA.POLAR.0>
-0.944671

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.2666

>  <SCORE.INTRA.VDW.0>
-0.3063

>  <SCORE.INTRA.norm>
-0.350086

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.0610253

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005671

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  184.7855  209.5430  255.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2321  209.7382  255.2602 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.9303  211.1741  255.4708 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.0358  212.3114  254.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4358  213.7077  255.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5236  213.8506  256.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9542  213.6515  257.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0687  212.5404  258.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3268  211.1755  257.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1489  210.7420  257.0094 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.2745  209.2922  256.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8959  208.2948  256.6590 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5021  209.0965  253.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7442  209.8397  252.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
111.72205707,186.92168043,211.07601553,256.05619741,1.97592306,1.06738729
-2.92430428

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446745/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34341

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-1.05659

>  <SCORE.INTRA.DIHEDRAL>
-1.72694

>  <SCORE.INTRA.DIHEDRAL.0>
2.14073

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.193118

>  <SCORE.INTRA.VDW.0>
0.673534

>  <SCORE.INTRA.norm>
-0.0754705

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.381672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006742

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  182.4909  223.2955  263.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6930  223.6685  262.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3465  222.7773  261.6848 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.8378  222.8884  261.9151 N   0  0  2  0  0  0  0  0  0  0  0  0
  183.8495  222.8070  263.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5058  224.1762  261.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3188  224.6584  260.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0932  223.8342  259.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5147  223.8622  259.3113 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.9138  223.5055  260.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0524  224.1665  261.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3659  223.7216  258.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6878  222.6264  257.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8238  224.9022  257.7344 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6641  224.8040  256.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8538  224.2840  255.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2690  223.1412  254.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5302  222.6709  253.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3663  223.3317  253.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9315  224.4526  253.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6684  224.9241  255.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8555  222.8999  260.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0005  223.6773  259.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4336  221.9643  259.4613 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0756  222.0545  258.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
1.83317653,-54.53895113,-84.32700965,-177.80513055,66.02276683,-124.85737741
178.40087632,185.25039935,223.61357567,258.89642249,-2.16894868,-0.17547220
-1.60438691

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446754/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.37672

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-6.02328

>  <SCORE.INTRA.DIHEDRAL>
-7.01422

>  <SCORE.INTRA.DIHEDRAL.0>
9.50958

>  <SCORE.INTRA.POLAR>
0.117005

>  <SCORE.INTRA.POLAR.0>
-0.117005

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.91399

>  <SCORE.INTRA.VDW.0>
1.33039

>  <SCORE.INTRA.norm>
-0.25097

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.22403

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.054052

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  205.1722  185.7640  243.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1722  186.4452  243.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1640  184.5929  242.9708 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4044  186.1353  244.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6597  187.5160  244.7599 P   0  0  0  0  0  0  0  0  0  0  0  0
  206.2008  188.7535  244.0636 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9284  187.3566  246.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1933  187.5604  245.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2915  184.2917  242.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0117  184.0880  242.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2455  186.5663  246.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4538  186.7672  245.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <CHROM.1>
2.95345588,-57.28798029,55.06790788,-52.44778823,206.10052485,186.86597136
244.41578948,-2.21238442,-0.25929786,0.44004743

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446755/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.56292

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-11.9629

>  <SCORE.INTRA.DIHEDRAL>
-24.6945

>  <SCORE.INTRA.DIHEDRAL.0>
24.8683

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.38435

>  <SCORE.INTRA.VDW.0>
-1.06209

>  <SCORE.INTRA.norm>
-1.49537

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
-0.570365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.098594

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  224.7553  178.9153  246.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6532  179.2140  245.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3468  180.4549  245.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2057  180.6659  244.3268 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.5291  179.3586  243.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8965  178.1714  244.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9248  178.1149  245.3585 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1835  176.8668  244.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7817  177.0768  243.5119 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.9577  178.0603  242.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4136  179.3859  242.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8818  180.4323  242.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6890  177.5405  244.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3629  177.1129  244.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3345  177.5745  245.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6102  178.4447  246.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9172  178.8768  246.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9431  178.4226  245.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5361  178.8366  246.9300 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7032  178.7053  248.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6456  181.4460  243.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0250  182.6645  242.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2370  183.2899  241.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0873  182.7591  240.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7701  181.5835  240.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5530  180.9284  242.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1784  183.3153  239.3139 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.5874  184.6122  238.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1384  182.8278  238.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1128  181.6530  245.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2110  181.6209  246.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4068  182.7826  245.5154 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0605  184.0014  245.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1473  177.2113  245.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  6  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
17.35855375,-119.74070979,-146.35411291,130.31496150,11.26711320,-178.49277657
221.30794290,180.22102448,243.95519213,-0.70992645,0.42828758,1.95078574

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446756/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0018

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-1.39819

>  <SCORE.INTRA.DIHEDRAL>
-0.719798

>  <SCORE.INTRA.DIHEDRAL.0>
6.3897

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.0383

>  <SCORE.INTRA.VDW.0>
3.98228

>  <SCORE.INTRA.norm>
-0.0423695

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.303085

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000151

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  194.8116  219.9671  252.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3491  220.6680  251.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2197  219.7902  250.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8000  218.4643  250.2511 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3242  217.7439  251.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4720  218.6072  252.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7770  217.9886  249.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1885  216.6486  249.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2173  216.2783  248.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8179  217.2262  247.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8433  216.8638  246.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4166  217.8228  245.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9928  219.1477  246.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9580  219.4951  246.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3531  218.5498  247.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3614  218.9027  248.5695 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5452  220.1557  245.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7903  219.7508  244.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6669  218.3685  244.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3922  217.3913  245.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5652  215.5923  250.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1014  214.7163  250.6788 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <CHROM.1>
-165.27349534,198.01355064,218.23234692,248.38253938,3.03928159,-0.83712022
3.04163119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446757/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.00003

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-0.399967

>  <SCORE.INTRA.DIHEDRAL>
-2.86941

>  <SCORE.INTRA.DIHEDRAL.0>
3.83491

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.03474

>  <SCORE.INTRA.VDW.0>
0.0333879

>  <SCORE.INTRA.norm>
-0.0181803

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.272729

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000498

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  202.4632  200.8472  252.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8603  200.2729  253.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3967  200.2848  254.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4842  199.5969  255.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5044  199.2695  256.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4370  198.5691  257.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3482  198.2064  256.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3019  198.5210  255.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3914  199.2053  254.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6465  199.6116  253.3409 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8335  199.2432  252.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4165  197.7808  252.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2472  197.4584  251.9734 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4292  196.8851  252.5084 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2463  195.4862  252.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2474  194.7319  253.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1076  193.3456  253.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9946  192.6824  252.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0017  193.4341  252.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1221  194.8317  252.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9478  191.1989  252.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8280  190.5503  253.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8443  190.6787  252.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7619  189.2529  252.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6713  200.8832  254.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1077  200.8760  256.1158 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2501  197.2560  252.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
179.71715513,128.81180161,131.43835096,-166.31920454,0.39121640,179.68057502
200.55794389,196.61031220,253.68759883,0.99740166,-1.09357564,-0.28153061

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446758/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.88395

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-1.51605

>  <SCORE.INTRA.DIHEDRAL>
-2.54737

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.393268

>  <SCORE.INTRA.norm>
-0.0583098

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.380152

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000287

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  218.9903  174.6242  243.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2328  175.7721  244.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9633  177.0803  244.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8008  177.5886  245.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4102  178.8187  244.8889 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1956  179.5910  243.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6353  180.7379  243.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4390  179.0236  242.7727 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6961  177.8907  242.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8446  177.5772  242.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2394  179.4213  245.9211 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.4893  179.8914  247.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6510  180.1986  248.0762 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.6613  179.0876  247.7252 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.2729  178.5570  246.4263 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1167  179.5719  247.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3388  180.5603  246.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1490  181.5204  247.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2434  179.5973  241.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.7131  181.2914  246.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.4674  182.1893  248.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
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 11  5  1  6  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
-94.03003632,-69.85147691,62.17694955,-63.09022766,56.86621922,220.72876101
178.80952763,245.27257292,-2.94134223,-0.88512811,-0.41126371

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.334979

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005906

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 44  0  0  0  0  0  0  0  0999 V2000
  205.6469  185.8636  247.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4193  187.3610  247.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4755  188.0167  248.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4621  187.5932  249.6092 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6671  188.1054  250.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4201  187.6653  251.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8210  189.3426  251.0294 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.9167  189.3095  252.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0708  190.5450  252.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4910  190.9048  251.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6054  189.9306  249.8636 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.0370  189.4193  249.7145 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.1854  187.9884  249.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3144  187.2898  248.7762 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0597  190.4916  248.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6612  191.0443  248.7810 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.1929  191.7414  247.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4240  191.3909  246.3616 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5081  192.8692  247.8539 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2366  193.3277  248.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8069  194.4112  248.9245 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5518  192.1598  249.8719 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.7319  192.2327  250.8981 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.6467  193.4630  250.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6470  193.7606  250.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5656  194.8239  250.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6145  195.0816  249.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4988  196.1450  249.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3724  196.9713  250.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
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  203.4531  195.6637  251.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4269  195.3968  252.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5485  194.3230  252.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7048  193.0132  248.9274 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0293  192.0775  250.9233 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.0837  192.5667  247.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9946  194.0448  248.5252 Br  0  0  0  0  0  0  0  0  0  0  0  0
  198.5393  189.6418  249.0069 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.9367  193.6604  248.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
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 10 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  1  1  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  1  0  0  0
 17 18  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  1  0  0  0
 23 24  1  6  0  0  0
 24 33  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 34  1  0  0  0  0
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 32 33  2  0  0  0  0
 34 39  1  0  0  0  0
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M  END
>  <CHROM.1>
-62.73868691,172.80332598,176.20006874,64.17921950,141.40767654,201.10714943
191.78466652,249.59398322,0.57928959,0.24357040,-2.93431412

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446760/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.593164

>  <SCORE.INTRA.VDW.0>
-4.89012

>  <SCORE.INTRA.norm>
-0.0151561

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.232212

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026532

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  193.0419  221.1145  270.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6849  221.3139  269.5931 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8709  220.2034  268.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7764  220.4299  267.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9497  219.4114  266.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2028  218.1161  266.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3120  217.8728  268.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1449  218.9126  269.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4061  216.9792  266.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6263  215.8440  266.4139 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2775  217.3009  264.7232 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5123  221.6866  266.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3908  216.5645  264.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4285  222.2477  267.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
145.84076381,-0.14184560,-179.92247508,-178.90456382,193.97263145,219.12618323
267.63007089,-2.61373767,1.37776517,-1.40004190

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446761/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.23384

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-2.16616

>  <SCORE.INTRA.DIHEDRAL>
-2.25436

>  <SCORE.INTRA.DIHEDRAL.0>
3.80201

>  <SCORE.INTRA.POLAR>
-6.92232e-05

>  <SCORE.INTRA.POLAR.0>
-0.337187

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.03875

>  <SCORE.INTRA.VDW.0>
2.42046

>  <SCORE.INTRA.norm>
-0.180513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.436153

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000653

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  191.7630  224.7339  245.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6776  224.6325  244.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6602  223.2933  243.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6655  223.1351  242.7525 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6224  222.1527  244.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1090  220.9516  244.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2496  219.8704  245.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4778  219.8243  246.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5728  218.4510  246.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9924  217.4556  245.8513 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.8550  216.1088  246.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4329  217.6950  244.6844 O   0  5  0  0  0  0  0  0  0  0  0  0
  191.8950  218.2609  247.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6715  218.8086  247.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2109  219.5907  246.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0935  220.0903  246.6464 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6808  221.0977  246.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2176  221.1068  248.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1225  222.3414  246.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0105  223.5705  246.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0868  223.7266  248.2278 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.7843  224.6146  248.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1407  223.1253  249.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6917  220.5568  243.3461 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9722  215.8808  245.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5723  222.3056  249.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6957  221.3428  242.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 19  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 25  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  CHG  3  10   1  12  -1  21   1
M  END
>  <CHROM.1>
-9.00378864,86.46785053,96.82198482,191.82510413,221.01636452,246.18684480
2.09116401,-1.44519020,0.56107370

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446770/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.0768879

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.225

>  <SCORE.INTRA>
-5.32311

>  <SCORE.INTRA.DIHEDRAL>
-7.95885

>  <SCORE.INTRA.DIHEDRAL.0>
8.12988

>  <SCORE.INTRA.POLAR>
-0.0045076

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.32836

>  <SCORE.INTRA.VDW.0>
0.906613

>  <SCORE.INTRA.norm>
-0.221796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.00320366

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039849

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 26  0  0  0  0  0  0  0  0999 V2000
  195.7506  218.1623  239.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5908  218.4612  241.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0023  217.2591  241.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8319  217.5565  243.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2503  216.3486  244.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0848  216.6588  245.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9429  216.9249  246.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7775  217.2352  248.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6998  215.8888  249.0795 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9467  215.0329  248.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9295  213.8018  248.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0825  212.9987  248.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9481  211.7659  247.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0994  210.9693  247.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0734  209.7301  246.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3149  208.8754  246.5644 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2322  207.5345  247.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5184  206.7178  247.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7590  207.2577  247.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2021  208.5306  247.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4722  209.5929  247.7286 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2965  208.4115  245.8231 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5500  208.6156  245.1815 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4676  216.1489  250.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6777  209.1982  245.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4576  208.2776  245.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3845  215.2836  250.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
-179.65395111,-179.75745080,-179.98227404,-54.56748515,-138.60674576,61.53799853
-119.22700529,177.40225439,-179.95864280,179.29455520,120.35882706,179.84424620
165.35233355,70.39820535,-70.13743584,131.29280159,-173.47550707,196.73845441
212.87461044,246.30878028,-2.50336135,-0.90523743,2.07357475

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446771/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.4032

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.808333

>  <SCORE.INTRA>
-4.9968

>  <SCORE.INTRA.DIHEDRAL>
0.673633

>  <SCORE.INTRA.DIHEDRAL.0>
2.84313

>  <SCORE.INTRA.POLAR>
-0.898941

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27721

>  <SCORE.INTRA.VDW.0>
0.274156

>  <SCORE.INTRA.norm>
-0.2082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.600134

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003147

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  195.8906  216.5011  264.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9867  216.2185  263.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3446  217.1899  262.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3529  216.9350  261.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0156  215.7034  261.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6656  214.7331  262.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6537  214.9882  263.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6887  217.9348  260.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2435  219.1989  260.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5676  220.1652  259.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3382  219.9299  258.9164 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8780  221.3391  260.0302 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1320  221.4405  261.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4917  222.4069  261.5534 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2183  219.9452  262.0846 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.9057  222.4181  259.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7503  222.3629  258.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7150  220.9855  257.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0636  220.8303  256.2563 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2613  220.0029  258.2747 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1633  218.7014  257.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4969  218.1868  256.7062 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2041  216.8347  256.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5919  216.3656  257.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5002  217.6265  259.0028 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.5262  216.0254  255.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1743  216.6264  254.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5382  215.8726  253.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2620  214.5125  253.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6256  213.8943  254.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2561  214.6493  255.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6231  213.7825  252.2163 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.8463  220.2268  259.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
10.95808076,93.38855177,-53.10089349,-107.56164850,2.74087699,1.90595181
197.15500595,218.04813730,258.92731704,-0.56383640,1.50647805,-2.98986082

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446772/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.4495

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-9.9505

>  <SCORE.INTRA.DIHEDRAL>
-16.5255

>  <SCORE.INTRA.DIHEDRAL.0>
21.3155

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.68778

>  <SCORE.INTRA.VDW.0>
-1.7094

>  <SCORE.INTRA.norm>
-0.310953

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0452967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  206.2258  206.1060  251.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3394  204.5931  251.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5732  204.2449  249.7153 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6973  202.9105  249.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4491  202.5594  248.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5155  201.2256  247.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8649  200.2355  248.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1272  200.5754  249.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0509  201.9196  250.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8774  198.5391  248.0951 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.1000  198.4640  246.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2343  198.0421  248.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9974  197.7196  249.2737 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5506  198.0009  249.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2630  199.3319  249.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4821  199.5821  251.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7800  200.2270  249.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4762  201.5428  249.6022 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0475  202.4507  248.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3737  201.4399  250.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5107  201.3682  251.3590 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4839  197.7474  250.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <CHROM.1>
-179.73367729,158.23746313,-18.20884217,68.94797423,-77.25180958,-65.93679660
-179.44695700,175.81986329,205.54616999,200.83566324,249.35066669,-1.76221629
-0.33172075,-2.85716197

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446773/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.22056

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.638095

>  <SCORE.INTRA>
-7.17944

>  <SCORE.INTRA.DIHEDRAL>
-7.10771

>  <SCORE.INTRA.DIHEDRAL.0>
10.837

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.62558

>  <SCORE.INTRA.VDW.0>
0.0373563

>  <SCORE.INTRA.norm>
-0.341878

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.296217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000217

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  208.7905  189.6647  243.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1187  189.4056  244.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1152  190.3331  245.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4490  190.0077  246.7533 P   0  0  0  0  0  0  0  0  0  0  0  0
  211.7777  190.7530  246.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0644  191.0773  247.2403 C   0  5  0  0  0  0  0  0  0  0  0  0
  207.4883  190.3019  247.6040 S   0  0  1  0  0  0  0  0  0  0  0  0
  207.7674  189.3342  248.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6422  191.7511  248.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7829  189.6822  248.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6886  188.5936  248.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9200  188.3828  250.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  1   6  -1
M  END
>  <CHROM.1>
179.54684928,159.52812559,96.95101959,-66.81960774,58.54271907,-179.99094062
209.53011577,189.97415541,247.11482983,-2.32379632,-0.28424658,1.65909872

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446774/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.316761

>  <SCORE.INTRA.VDW.0>
-2.38107

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025659

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  196.8638  217.0258  249.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3498  218.1572  250.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4841  217.6621  250.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7220  219.3465  249.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1137  220.6176  249.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0639  221.0227  250.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6460  222.3629  250.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2810  223.2807  249.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3413  222.8799  248.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7250  221.5490  248.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7760  220.8550  247.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5256  221.4028  246.9107 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4735  220.6416  246.2847 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1298  221.1716  245.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9160  222.2923  244.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1494  220.2323  244.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4882  219.2420  243.7551 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6401  218.3917  244.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0241  217.3451  245.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0551  216.5345  245.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7077  216.7744  245.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3083  217.8137  244.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2772  218.6204  244.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7846  215.9968  246.2004 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.7637  219.4184  248.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5472  218.5732  247.9389 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6911  219.7137  246.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
119.25636823,170.01682176,77.02761069,-61.99805782,-73.56806049,198.84476732
219.51530550,247.16207570,2.76018780,0.90624755,0.09116930

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446775/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.6545

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.7455

>  <SCORE.INTRA.DIHEDRAL>
4.39595

>  <SCORE.INTRA.DIHEDRAL.0>
3.93762

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.94348

>  <SCORE.INTRA.VDW.0>
0.100059

>  <SCORE.INTRA.norm>
-0.0671347

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.332865

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  205.9498  206.4597  251.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5649  207.4990  250.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3813  206.8348  249.8234 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.5929  205.8964  249.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7572  205.0872  249.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4475  205.2798  251.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2464  203.9390  249.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6002  203.7726  247.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0829  202.7061  246.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2106  201.8012  247.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8594  201.9575  248.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3762  203.0234  249.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6486  206.1307  250.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3352  205.5032  249.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7033  204.8628  248.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
178.32053570,-1.39439788,-59.67532289,206.10154222,204.77211541,249.44269570
0.91621303,0.44841673,0.84004530

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446776/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.21097

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-5.18903

>  <SCORE.INTRA.DIHEDRAL>
-13.1433

>  <SCORE.INTRA.DIHEDRAL.0>
13.2292

>  <SCORE.INTRA.POLAR>
0.0430051

>  <SCORE.INTRA.POLAR.0>
-0.0620001

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.23638

>  <SCORE.INTRA.VDW.0>
-1.21799

>  <SCORE.INTRA.norm>
-0.370645

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.157926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035491

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  189.9461  227.2071  249.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6220  226.2660  248.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8836  225.0418  249.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4900  224.0386  248.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7615  222.8937  249.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3400  221.7656  248.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6326  221.7563  247.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3396  222.8918  246.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7826  224.0375  247.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1675  220.5756  246.9177 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6271  220.3328  247.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1310  220.4013  248.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0033  221.2192  248.8031 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4950  219.5587  249.4086 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6689  219.5234  250.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9148  218.5946  251.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0358  218.5018  252.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9094  219.3427  253.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6663  220.2878  252.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5333  220.3696  251.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6165  221.2181  253.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0416  220.7398  254.8464 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.7479  221.4699  252.9267 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.0602  222.4335  253.9056 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.1661  219.1897  246.9087 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2924  218.5342  245.6239 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4571  218.4568  248.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4878  219.8022  247.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8175  219.6883  248.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5191  220.1854  248.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8970  220.8136  247.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5806  220.9687  246.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8841  220.4774  245.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8622  218.8599  249.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
179.82668263,177.52489526,-80.76689815,50.55481007,140.26381165,-121.06145543
179.50366117,23.73130132,-104.46171227,192.99669624,221.12317224,249.41490252
2.91163111,0.76963463,-2.66664152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446777/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.9969

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-2.40307

>  <SCORE.INTRA.DIHEDRAL>
-2.13988

>  <SCORE.INTRA.DIHEDRAL.0>
7.45247

>  <SCORE.INTRA.POLAR>
-0.0136821

>  <SCORE.INTRA.POLAR.0>
-0.954176

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.28661

>  <SCORE.INTRA.VDW.0>
-4.04934

>  <SCORE.INTRA.norm>
-0.0728202

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.363543

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  212.8853  191.7035  245.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1375  192.0181  246.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2375  192.5326  247.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0811  192.7285  248.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8261  192.4140  248.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7298  191.8993  246.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1806  193.1866  249.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4011  192.0950  250.8595 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4065  191.1511  250.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2195  190.1103  249.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0445  189.3523  250.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1124  189.5139  251.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3737  190.4811  252.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5097  191.2918  251.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8139  188.7385  251.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5800  189.5015  250.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8100  190.1583  249.3275 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2233  191.4697  249.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3915  192.1313  250.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5076  192.1088  247.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9150  193.4390  247.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2037  193.8677  246.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9024  193.0965  245.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5091  191.7888  245.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3769  191.2820  246.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2335  193.6755  244.2340 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2790  194.8940  244.5486 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.6191  194.3999  244.3123 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7987  196.1379  243.9984 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1026  194.9513  246.2714 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0320  189.7386  248.9237 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1899  188.9751  249.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0909  189.7123  250.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9903  189.4659  251.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7440  190.2099  252.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6016  191.2000  251.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7061  191.4531  250.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9508  190.7104  249.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5690  189.6607  248.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0394  194.7170  246.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 30  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 40  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
-84.20312944,-61.41278561,80.70467523,78.38657183,-99.42351188,48.46057591
-93.49239107,179.07979221,-59.40440714,95.55364931,211.46738509,191.83032260
248.46244831,-2.16599196,0.08321744,2.19421166

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446778/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0116058

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-15.4116

>  <SCORE.INTRA.DIHEDRAL>
-8.6411

>  <SCORE.INTRA.DIHEDRAL.0>
22.1655

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.0911

>  <SCORE.INTRA.VDW.0>
0.245941

>  <SCORE.INTRA.norm>
-0.405569

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
-0.000305416

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001326

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  206.2213  204.5927  250.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0927  204.6557  249.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8850  204.1122  250.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7838  203.4934  251.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9252  203.4342  252.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1377  203.9868  252.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2654  203.9439  252.7906 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8469  202.7916  253.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8171  202.7091  254.5537 O   0  0  0  0  0  0  0  0  0  0  0  0
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  202.3602  201.0638  256.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
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  201.2458  201.7027  254.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4336  202.2674  253.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
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  201.4998  202.9484  251.4485 O   0  0  0  0  0  0  0  0  0  0  0  0
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  207.0955  203.5080  253.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2210  202.1497  252.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3871  201.9514  255.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0165  203.8063  249.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.53266943,179.59722844,-0.07674867,-179.73411004,203.69206580,202.84947250
253.00045412,-1.01127746,0.24705397,2.00636647

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446779/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.92326

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.27

>  <SCORE.INTRA>
-0.476741

>  <SCORE.INTRA.DIHEDRAL>
0.000368016

>  <SCORE.INTRA.DIHEDRAL.0>
0.000267989

>  <SCORE.INTRA.POLAR>
2.56313e-06

>  <SCORE.INTRA.POLAR.0>
-0.261724

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.476934

>  <SCORE.INTRA.VDW.0>
1.52003

>  <SCORE.INTRA.norm>
-0.0238371

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.246163

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000696

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  186.5864  205.7912  265.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8448  206.9573  265.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4391  208.0678  265.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7114  208.1400  264.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4075  206.9633  264.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8485  205.8087  265.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3235  209.3735  264.6013 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1628  209.5398  264.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9547  209.0888  265.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5272  209.7773  266.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5578  211.2456  267.0159 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3647  211.7556  267.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1447  211.1498  267.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2045  213.0981  266.9250 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8489  210.6109  266.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8407  210.7585  267.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.8700  213.4829  266.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0856  213.6378  267.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <CHROM.1>
172.52990032,-58.58154892,-52.99889455,-56.80307105,109.05046198,-66.23659314
38.25486844,188.61721162,209.16276210,265.86613748,2.07041240,-0.22027225
-2.75798441

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446780/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.72607

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-6.67393

>  <SCORE.INTRA.DIHEDRAL>
-2.9833

>  <SCORE.INTRA.DIHEDRAL.0>
4.38899

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78228

>  <SCORE.INTRA.VDW.0>
-0.542667

>  <SCORE.INTRA.norm>
-0.476709

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.409005

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002583

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  206.7183  199.9956  229.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2411  199.6700  229.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4617  200.5277  228.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8361  198.4210  229.8773 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6243  197.3341  228.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8270  196.0657  229.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0238  195.7689  230.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2055  196.8723  231.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0885  198.3231  231.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6699  199.2088  232.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6220  198.7592  230.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5990  194.4547  231.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5610  195.5031  230.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-96.95170155,204.42003914,197.76317463,230.32593400,-1.11118433,-0.90730541
-2.99740915

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446781/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.32205

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-4.07795

>  <SCORE.INTRA.DIHEDRAL>
-0.0230475

>  <SCORE.INTRA.DIHEDRAL.0>
0.496194

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.06643

>  <SCORE.INTRA.VDW.0>
3.32977

>  <SCORE.INTRA.norm>
-0.313689

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.178619

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012407

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  203.5117  192.0728  244.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9042  191.6628  245.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0003  191.2415  246.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1350  192.8018  246.3767 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.7755  193.5472  246.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4952  193.2003  245.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2613  192.4102  247.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1339  193.4958  248.6120 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3904  193.7870  249.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4999  194.0749  248.5915 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6228  195.3839  248.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2244  195.6839  246.9056 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4442  196.9584  246.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9775  197.9590  247.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2397  199.3194  246.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3999  200.4038  247.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3820  199.9457  248.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8603  198.7013  249.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3344  197.6317  248.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1450  196.3063  249.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5735  195.8811  250.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0350  195.5799  251.4181 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7051  194.7093  247.9815 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3943  194.9604  247.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  3  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
-68.50685948,146.66733772,-69.02701347,53.41451532,-60.75643523,85.65359091
-102.22758515,203.41983047,195.44236731,247.90601822,3.09365527,1.26447423
1.89811017

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446782/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.46721

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-4.93279

>  <SCORE.INTRA.DIHEDRAL>
2.1112

>  <SCORE.INTRA.DIHEDRAL.0>
8.4551

>  <SCORE.INTRA.POLAR>
-1.42198

>  <SCORE.INTRA.POLAR.0>
-1.25

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15365

>  <SCORE.INTRA.VDW.0>
0.256755

>  <SCORE.INTRA.norm>
-0.234895

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.307962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000698

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  221.3945  190.1851  244.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8727  188.8013  243.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5457  189.0170  243.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9488  188.1723  242.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5711  186.8561  242.2635 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5324  185.7361  243.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3175  185.1950  243.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2565  184.1804  244.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4560  183.6419  245.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6790  184.0699  244.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7064  185.0926  243.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4480  182.6145  246.0476 N   0  3  0  0  0  0  0  0  0  0  0  0
  220.3482  182.2609  246.4926 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5391  182.1646  246.4244 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.0535  185.7311  243.0921 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.7882  185.5680  241.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3009  186.2391  243.9359 O   0  5  0  0  0  0  0  0  0  0  0  0
  220.5952  187.8714  244.9788 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8034  187.4611  245.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5110  186.4813  246.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4679  187.0363  247.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2220  187.4025  247.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5586  188.3764  245.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1015  186.6460  241.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  4  12   1  14  -1  15   1  17  -1
M  END
>  <CHROM.1>
-177.78003027,-66.83708566,-69.64575524,104.03773315,220.74502495,186.08929359
244.64481679,-2.91297889,1.38677059,-2.13201890

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446783/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.44223

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-4.95777

>  <SCORE.INTRA.DIHEDRAL>
-0.960175

>  <SCORE.INTRA.DIHEDRAL.0>
1.85938

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.47769

>  <SCORE.INTRA.VDW.0>
3.69121

>  <SCORE.INTRA.norm>
-0.215555

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.19314

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 66 70  0  0  0  0  0  0  0  0999 V2000
  199.2313  211.0515  245.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1234  211.0072  246.1228 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6927  212.1800  247.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4237  213.3616  246.8158 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7010  211.8675  247.9800 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3644  210.9673  249.1535 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.9792  211.8789  249.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3190  212.4955  249.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1495  211.7160  249.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0572  212.4393  249.2921 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3405  213.7590  249.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4188  214.7797  248.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8716  216.0849  248.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2278  216.3166  249.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1586  215.2544  249.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7299  213.8971  249.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7445  210.0393  249.8473 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.0259  209.4272  248.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9171  208.0591  248.1435 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6564  207.9177  246.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1943  207.0564  245.9151 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6982  208.6270  246.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4995  207.8538  245.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7494  208.8061  244.7572 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.0492  210.1798  245.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4023  210.0355  246.1611 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.4650  211.2046  245.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0488  212.3620  245.9643 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7613  211.0980  245.3949 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2780  208.7411  243.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2431  207.5136  248.2156 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4586  206.1923  248.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6001  205.3388  248.4483 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9209  205.9648  248.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9711  206.3732  250.2019 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8785  207.6823  250.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6905  208.6007  249.8746 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1828  208.0153  252.1683 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.6083  207.9968  252.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2576  207.0729  251.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8550  205.9036  251.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4735  207.6851  250.8748 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.5444  208.9667  249.9692 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8304  210.2932  250.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5084  211.1305  250.7340 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1617  206.0079  250.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9749  205.0717  249.8415 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4528  205.6298  249.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0993  203.6176  250.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8275  203.0647  250.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3836  205.0935  248.5348 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7882  209.4488  252.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2920  204.5135  248.4355 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2884  204.1910  246.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5688  204.1640  248.9912 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1009  212.7400  248.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1396  212.0484  249.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8559  211.9820  244.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1179  207.8354  243.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0321  208.1439  248.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4911  205.7524  250.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.0945  208.8811  252.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4204  209.4615  249.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2319  203.1746  249.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4673  204.7631  248.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5549  204.3871  249.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 29  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 56  1  0  0  0  0
  6 44  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 57  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  6  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 53  1  1  0  0  0
 35 36  1  0  0  0  0
 35 61  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 52  1  6  0  0  0
 39 40  1  0  0  0  0
 39 62  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 46  1  6  0  0  0
 43 44  1  0  0  0  0
 43 63  1  0  0  0  0
 44 45  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  6  0  0  0
 47 49  1  0  0  0  0
 47 51  1  0  0  0  0
 49 50  1  0  0  0  0
 50 64  1  0  0  0  0
 51 65  1  0  0  0  0
 53 54  1  6  0  0  0
 53 55  1  0  0  0  0
 55 66  1  0  0  0  0
M  END
>  <CHROM.1>
63.41093481,68.24394398,142.90670611,69.15091327,50.67534508,-60.64477193
54.66222232,52.17661416,197.98696211,209.10838858,248.63023746,2.59331503
-0.59385463,0.35803488

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446784/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-10.2123

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.170909

>  <SCORE.INTRA>
-19.6123

>  <SCORE.INTRA.DIHEDRAL>
-9.54113

>  <SCORE.INTRA.DIHEDRAL.0>
14.7455

>  <SCORE.INTRA.POLAR>
-2.42782

>  <SCORE.INTRA.POLAR.0>
-0.00564601

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.5871

>  <SCORE.INTRA.VDW.0>
4.22255

>  <SCORE.INTRA.norm>
-0.356587

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
-0.185678

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000833

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  195.8860  212.1713  262.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7096  212.1445  261.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6861  213.2546  261.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0000  214.3868  260.4466 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3508  214.3607  260.0697 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3338  212.9393  261.6049 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.8942  213.4059  261.3811 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.2563  212.3684  262.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9974  212.9139  263.5948 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4782  212.9988  263.1487 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.5114  211.9535  263.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1867  210.9512  264.2726 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2604  210.0861  264.4447 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4735  214.3288  263.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4672  214.6363  262.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8047  214.8123  260.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0989  209.4096  263.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 16  1  0  0  0  0
  6  3  1  6  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-96.80754354,-95.70122887,193.85380831,212.82568860,262.37219468,0.04163691
-0.30038114,2.33480567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446785/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.7015

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.36

>  <SCORE.INTRA>
-1.6985

>  <SCORE.INTRA.DIHEDRAL>
-3.29534

>  <SCORE.INTRA.DIHEDRAL.0>
3.34318

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0508291

>  <SCORE.INTRA.VDW.0>
-0.274384

>  <SCORE.INTRA.norm>
-0.113233

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.246767

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000234

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  189.3646  218.8363  259.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5165  220.0293  259.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4037  221.0222  259.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8288  222.1828  258.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7301  223.1865  258.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2736  224.4169  257.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9048  224.6355  257.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9955  223.6381  257.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4598  222.4086  258.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4287  225.8480  257.0037 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0980  226.2229  256.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0015  227.4555  256.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2850  227.8712  255.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1585  226.8346  256.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6080  226.7293  255.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6652  229.0982  255.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8130  229.3581  254.9344 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6048  229.9208  255.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9378  231.1249  254.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8433  228.1184  256.2699 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.9835  228.9687  255.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.47315160,173.06076013,-169.55981792,-179.27785490,-179.08777708,-179.95791098
187.83980199,225.49601596,257.05104548,-1.36868783,0.12677420,-0.45557673

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446794/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.14473

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-5.25527

>  <SCORE.INTRA.DIHEDRAL>
-7.57349

>  <SCORE.INTRA.DIHEDRAL.0>
8.20788

>  <SCORE.INTRA.POLAR>
-0.692789

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0629057

>  <SCORE.INTRA.REPUL.0>
0.0629057

>  <SCORE.INTRA.VDW>
1.20149

>  <SCORE.INTRA.VDW.0>
2.83492

>  <SCORE.INTRA.norm>
-0.262763

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.257237

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001465

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  212.1208  194.6169  247.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2113  194.3968  246.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0980  193.1858  245.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8781  193.2263  244.4718 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.5960  194.8792  244.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3281  195.3917  245.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1458  196.7157  246.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9821  197.7477  246.8045 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6626  195.3996  243.8411 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0279  196.6022  244.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5554  197.7087  244.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5734  196.4469  244.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3303  197.1302  246.2263 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.2733  196.0346  247.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8738  196.3891  248.3106 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5253  195.2640  248.7891 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2916  194.3001  247.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4950  194.7197  246.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7080  192.9046  247.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6270  192.4197  248.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0511  191.0869  248.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5560  190.2213  247.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6311  190.6735  246.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2056  192.0088  246.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1009  188.5905  247.8263 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.8510  191.9123  245.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8577  195.2343  242.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
161.59392458,73.70798324,120.04489239,-66.68523069,149.85270681,-8.43518272
209.12396067,194.04752556,246.49720822,-1.14613750,0.75695145,-0.59283101

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446795/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.73936

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-7.66064

>  <SCORE.INTRA.DIHEDRAL>
0.0766484

>  <SCORE.INTRA.DIHEDRAL.0>
3.46404

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.69896

>  <SCORE.INTRA.VDW.0>
-1.54719

>  <SCORE.INTRA.norm>
-0.29464

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.143822

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000035

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  194.4639  217.9497  265.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9999  219.3148  265.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9163  219.5800  263.6250 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.3710  221.0129  263.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7062  218.5925  262.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1154  217.8844  261.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8566  216.9690  260.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1991  216.7307  261.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7900  217.4175  262.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0570  218.3527  263.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0011  215.8150  260.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6351  215.0811  259.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5458  215.1252  258.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7109  214.0879  258.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1254  213.4033  260.1817 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2876  212.7587  261.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1320  212.4254  260.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0374  212.5959  262.3957 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.3874  212.8313  261.9121 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3896  213.4267  260.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3769  213.9006  260.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9024  211.1948  262.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5563  213.6693  263.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4416  214.4580  264.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9622  215.4316  265.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5930  215.6376  265.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6987  214.8794  264.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1752  213.9041  263.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9345  215.6686  260.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2111  212.8634  262.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
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 18 22  1  1  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
175.49977117,126.53109378,4.11247277,47.31459125,54.00644052,-132.17388964
197.59543454,215.49776530,262.23275297,-2.82884188,0.99910145,-1.50768545

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446796/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.32878

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-3.07122

>  <SCORE.INTRA.DIHEDRAL>
-1.13407

>  <SCORE.INTRA.DIHEDRAL.0>
6.48448

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.50419

>  <SCORE.INTRA.VDW.0>
-2.57702

>  <SCORE.INTRA.norm>
-0.109687

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.297456

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  204.2875  203.1712  254.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1020  204.3357  254.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3733  204.0650  253.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8176  202.9451  253.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1521  205.3536  253.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2684  205.8183  252.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9300  206.2501  251.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9836  205.0967  251.4415 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3191  204.9355  250.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3503  203.9231  250.5499 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.9707  202.5075  250.8784 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.0182  202.0398  249.9152 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3526  200.6580  249.7223 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8590  200.6806  249.8705 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.1065  201.6220  250.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4931  199.3189  250.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2491  198.8627  251.4641 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8429  197.5902  251.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5295  197.1489  253.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3084  196.5333  253.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0035  196.1796  254.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9110  196.4267  255.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1383  197.0284  255.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4486  197.3865  254.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6087  199.7782  250.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9838  200.0744  252.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3763  199.2031  253.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9788  199.4477  254.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2069  199.2888  255.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7595  199.5500  256.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0840  199.9737  256.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8601  200.1392  255.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3085  199.8787  254.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 15  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-0.71035373,-101.31885979,67.44081932,-69.28298852,-130.33299338,112.86769383
-62.70035795,-73.48603361,-179.87627406,-178.72391871,82.49178822,-175.72991169
171.50023250,147.73796717,205.39047930,200.89719894,252.87587159,-1.34053827
1.53362988,2.53606328

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446798/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.9108

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.587879

>  <SCORE.INTRA>
-7.48916

>  <SCORE.INTRA.DIHEDRAL>
1.30604

>  <SCORE.INTRA.DIHEDRAL.0>
8.64118

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.14218

>  <SCORE.INTRA.VDW.0>
0.715163

>  <SCORE.INTRA.norm>
-0.226944

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.360935

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014533

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  200.3169  215.4845  252.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8820  216.9671  252.1741 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3404  217.0297  252.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9693  216.7049  253.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7809  217.5619  254.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2670  218.2891  255.6952 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2802  217.4694  254.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5579  217.8750  253.2404 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0373  218.0572  252.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1239  218.9946  251.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4708  218.4170  250.5068 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1804  217.5348  250.7222 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0305  216.4723  249.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4177  217.0579  248.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9342  217.3384  248.1868 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.5318  217.7860  249.5579 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6532  218.8009  249.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7552  218.8173  247.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3206  218.5122  247.2364 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.5801  219.7112  247.5725 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3144  219.8714  247.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7691  219.1132  246.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7329  221.0900  247.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0412  220.6366  249.5223 Br  0  0  0  0  0  0  0  0  0  0  0  0
  202.6335  216.0255  247.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  6  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-82.84206387,-5.25734560,-82.37211861,200.44115965,218.48228787,250.28136087
-1.95345190,0.70403244,-1.04575754

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446799/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.6504

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-2.7496

>  <SCORE.INTRA.DIHEDRAL>
-3.00895

>  <SCORE.INTRA.DIHEDRAL.0>
7.03189

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.24512

>  <SCORE.INTRA.VDW.0>
-1.68566

>  <SCORE.INTRA.norm>
-0.109984

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.226016

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000739

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  231.6843  184.5753  246.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.1067  186.0418  246.6746 C   0  0  1  0  0  0  0  0  0  0  0  0
  231.3407  187.1149  247.4607 C   0  0  2  0  0  0  0  0  0  0  0  0
  231.3686  187.0537  248.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.7413  186.8717  249.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.9558  187.3567  250.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.2106  187.2336  251.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.2133  186.6004  250.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.0238  186.0997  249.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.7741  186.2797  248.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.5734  185.9431  247.2411 C   0  0  2  0  0  0  0  0  0  0  0  0
  234.5687  186.6520  246.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.5399  188.0447  246.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.4695  188.7576  245.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  236.4354  188.0529  244.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
  236.4421  186.6395  244.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.5225  185.9591  245.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
  237.3094  185.7690  244.2167 O   0  0  0  0  0  0  0  0  0  0  0  0
  237.5001  185.8999  242.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
  237.4108  188.6164  243.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
  238.2711  189.5939  244.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.4054  190.1292  245.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
  234.7595  190.6922  244.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
  236.3661  186.5768  251.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
  235.9942  187.4155  252.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.5869  187.7093  252.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.0341  187.1982  246.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8308  187.5880  247.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6531  188.3252  248.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5162  189.0781  248.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.4604  188.0760  249.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.2113  188.7582  250.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2664  186.8975  245.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
  231.6503  186.6318  245.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.2743  186.6757  244.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 26  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
69.80724684,-98.41927388,52.64259249,-53.18106819,30.49546926,-179.81453358
233.44994312,187.37880758,247.35088172,2.55168209,-0.03763272,1.61800376

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446811/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.21136

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325714

>  <SCORE.INTRA>
-4.18864

>  <SCORE.INTRA.DIHEDRAL>
4.56175

>  <SCORE.INTRA.DIHEDRAL.0>
9.7034

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.46951

>  <SCORE.INTRA.VDW.0>
6.11993

>  <SCORE.INTRA.norm>
-0.119675

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.206039

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000843

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  193.8982  212.6819  254.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0506  211.9148  255.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8399  211.4045  256.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9580  210.6735  257.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4266  210.0107  258.0876 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6071  210.8317  256.9495 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6269  210.2518  257.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2365  211.1917  258.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3935  211.4979  259.7658 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0827  212.3773  260.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6804  211.1110  254.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3081  211.3999  256.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
176.36885786,169.36048877,90.18179885,-60.82324022,179.72637333,192.20788362
211.29447790,257.50158202,1.00078777,0.48446299,-1.18945995

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446812/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.64038

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-1.75962

>  <SCORE.INTRA.DIHEDRAL>
-0.0858023

>  <SCORE.INTRA.DIHEDRAL.0>
2.58041

>  <SCORE.INTRA.POLAR>
-0.163239

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.16171

>  <SCORE.INTRA.VDW.0>
-0.236771

>  <SCORE.INTRA.norm>
-0.175962

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.864038

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057299

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 57 59  0  0  0  0  0  0  0  0999 V2000
  195.0469  219.4181  260.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6708  218.1814  260.1863 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8993  218.2880  258.6588 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9965  216.7918  258.2257 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7850  216.2284  259.5329 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4465  217.0735  260.6506 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7886  214.8632  260.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4362  213.8914  259.1461 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8602  214.2548  258.5961 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8872  214.6431  259.7042 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0362  213.5001  260.7266 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6295  213.1540  261.2082 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6759  212.6778  260.0674 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.1107  211.5016  259.3879 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7560  212.2141  262.2442 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6854  212.3209  260.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9595  212.2089  260.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9396  213.0483  260.4922 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
-158.55269340,-177.33830647,-179.78327612,66.60585677,47.90969879,104.60882643
68.22483811,88.58348486,-59.02981393,73.63812268,-161.66073440,-21.08255800
148.12895529,123.11540304,-175.52750632,57.14565839,-71.93157350,-167.64271823
-51.02887416,179.89005090,57.91750303,196.09571259,215.00312417,258.11644406
-3.09520983,0.59432341,-2.64772378

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446813/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-12.1373

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.46

>  <SCORE.INTRA>
-30.5373

>  <SCORE.INTRA.DIHEDRAL>
-35.2773

>  <SCORE.INTRA.DIHEDRAL.0>
45.413

>  <SCORE.INTRA.POLAR>
-2.95109

>  <SCORE.INTRA.POLAR.0>
-1.87395

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.86496

>  <SCORE.INTRA.VDW.0>
-4.48556

>  <SCORE.INTRA.norm>
-0.763433

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
-0.303433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009168

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
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 60 61  2  0  0  0  0
 60 62  2  0  0  0  0
 60 63  1  0  0  0  0
 63 82  1  0  0  0  0
 64 83  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  2  0  0  0  0
 66 69  1  0  0  0  0
 69 84  1  0  0  0  0
 70 85  1  0  0  0  0
M  END
>  <CHROM.1>
138.46503390,63.66774679,58.63467603,64.46938238,-46.62068306,-174.51437900
177.05870537,71.63653868,-73.12381249,130.82294988,-52.50435230,-176.22900796
134.70807902,-31.77967759,-172.46751731,-63.71853603,-47.61386632,-52.42991836
114.03935033,-42.82737782,52.29149871,-54.10265379,-64.32978710,63.60108127
179.13469548,-89.48103761,-173.33536061,-51.09952860,170.82505422,-166.29011662
-174.89886069,-171.85555229,30.22039120,-32.94265730,76.51842592,198.08340350
219.61382548,258.71101459,0.59023902,0.19694249,2.72941334

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446814/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-11.0731

>  <SCORE.INTER>
27.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
22

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391429

>  <SCORE.INTRA>
-38.4731

>  <SCORE.INTRA.DIHEDRAL>
-20.5713

>  <SCORE.INTRA.DIHEDRAL.0>
53.1698

>  <SCORE.INTRA.POLAR>
-4.97762

>  <SCORE.INTRA.POLAR.0>
-1.13278

>  <SCORE.INTRA.REPUL>
-1.0582

>  <SCORE.INTRA.REPUL.0>
1.14424

>  <SCORE.INTRA.VDW>
-5.9725

>  <SCORE.INTRA.VDW.0>
-14.2483

>  <SCORE.INTRA.norm>
-0.549616

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
70

>  <SCORE.norm>
-0.158187

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012900

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 15  0  0  0  0  0  0  0  0999 V2000
  196.5383  220.6704  248.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5297  219.9003  249.1152 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9423  219.6532  250.5144 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.1232  218.5219  251.1710 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8779  218.0504  252.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6033  219.2007  253.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9058  220.5548  252.9633 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7975  220.9284  251.4304 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.3570  221.4391  251.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6285  220.4148  252.1885 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.4506  220.5125  253.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6897  219.0193  251.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4516  218.9716  248.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 13  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-163.15538857,195.29580740,219.90111703,251.43029402,-1.22305792,-0.83456121
1.96111763

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446815/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30272

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0972764

>  <SCORE.INTRA.DIHEDRAL>
0.26562

>  <SCORE.INTRA.DIHEDRAL.0>
0.102939

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.230086

>  <SCORE.INTRA.VDW.0>
-0.0278936

>  <SCORE.INTRA.norm>
-0.00810637

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.525227

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002577

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  199.3717  214.7063  255.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2854  214.3834  256.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0110  215.6328  257.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9480  215.2381  259.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7076  216.2359  260.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0227  215.9347  261.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7563  216.8627  262.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1450  218.0801  262.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7932  218.3811  260.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1009  217.4490  259.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0789  219.6176  260.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6746  220.0111  259.2151 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0033  221.2318  259.2688 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8839  221.6766  260.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6991  220.7332  261.6558 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.2400  222.8443  260.8544 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6498  223.7038  259.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5775  223.5306  258.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1532  224.8597  260.5558 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9250  226.0528  260.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5461  227.0754  259.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2580  228.2797  259.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3547  228.4723  260.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7571  227.4457  261.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0405  226.2519  261.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4831  225.2570  262.0948 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.3036  223.0828  261.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6513  224.7132  261.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.91916468,179.97345331,-162.30617937,-179.01180287,-0.76496221,99.88203598
104.26478318,196.85469965,221.11583279,260.11083470,0.44342515,1.22700145
-1.88567464

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446816/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.81619

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-5.58381

>  <SCORE.INTRA.DIHEDRAL>
-9.53083

>  <SCORE.INTRA.DIHEDRAL.0>
11.2826

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.818396

>  <SCORE.INTRA.VDW.0>
-0.572127

>  <SCORE.INTRA.norm>
-0.214762

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.262161

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  194.0861  214.6900  242.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2328  213.9401  242.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0401  212.5901  242.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4249  212.0312  243.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2247  210.6622  244.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6980  209.8308  243.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3657  210.3856  241.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5355  211.7544  241.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4870  208.3683  243.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6670  207.6348  243.1127 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9474  212.8843  244.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2256  212.5290  245.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8455  207.7595  242.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-125.85296703,-125.46830400,-88.04119438,-61.14958081,195.19923494,211.45481075
243.24846319,1.53319992,-0.95870249,-0.03746624

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446817/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.47824

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-1.92176

>  <SCORE.INTRA.DIHEDRAL>
3.15689

>  <SCORE.INTRA.DIHEDRAL.0>
4.07572

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.5002

>  <SCORE.INTRA.VDW.0>
4.19966

>  <SCORE.INTRA.norm>
-0.160147

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.539853

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000186

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  211.7977  189.5454  246.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2065  188.9776  244.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1428  188.6955  243.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6851  188.3674  242.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5901  187.9910  241.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6563  188.9775  241.4142 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.1463  187.9261  240.2406 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.6040  186.1528  241.7892 I   0  0  0  0  0  0  0  0  0  0  0  0
  212.3449  189.4621  242.0152 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.6219  187.3821  242.5645 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.3887  187.6514  244.3262 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.2825  189.7448  243.8045 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.1425  189.8159  244.3750 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.8863  187.8155  245.1676 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.7508  188.7771  247.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5136  189.1232  248.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1730  190.5873  248.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2133  191.4258  248.5396 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.1781  190.9957  247.9133 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.7292  190.8044  250.0037 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.4783  188.3426  248.9533 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.5858  188.7510  249.2682 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.5495  188.9013  246.3962 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.0384  187.4461  246.9623 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.3600  190.8259  246.0896 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.9151  189.6649  247.0404 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
55.00168806,167.21982809,169.61883025,175.80039395,55.43336067,55.77372814
-70.37972550,210.74720017,188.44165684,244.67764501,-1.49069990,-0.68093718
-1.93728604

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446820/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4223

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-1.97771

>  <SCORE.INTRA.DIHEDRAL>
-0.943149

>  <SCORE.INTRA.DIHEDRAL.0>
2.48684

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.50613

>  <SCORE.INTRA.VDW.0>
-5.39845

>  <SCORE.INTRA.norm>
-0.0760656

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.400857

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043860

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  187.9802  212.2998  257.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3459  212.4277  259.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6823  211.6895  260.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6465  210.8152  259.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2901  210.6876  258.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9538  211.4282  257.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9317  210.0480  260.8700 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1693  209.9562  262.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0307  210.5753  262.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1941  209.0816  263.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5416  209.7319  262.9799 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.1805  209.4659  260.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-4.40601644,-64.72495299,186.12064082,210.63265694,260.88079632,0.94129505
-0.38151578,-1.38198157

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446826/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45116

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.948843

>  <SCORE.INTRA.DIHEDRAL>
0.0834813

>  <SCORE.INTRA.DIHEDRAL.0>
1.26069

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.990583

>  <SCORE.INTRA.VDW.0>
0.282314

>  <SCORE.INTRA.norm>
-0.0862584

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.586469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002451

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  213.7700  192.2426  249.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1093  192.1128  248.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9331  192.4818  247.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0448  192.4404  246.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9969  193.2707  245.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0748  193.3508  244.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1877  192.5404  244.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2362  191.6955  245.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1779  191.6561  246.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9080  194.2544  243.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6234  194.0523  242.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4427  195.2904  241.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8786  196.5013  241.8593 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6058  197.6646  241.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0078  198.9272  241.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1718  199.0070  242.9803 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3908  198.1123  243.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2320  197.6620  244.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2951  196.7281  245.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5524  196.2551  246.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7112  196.7080  245.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6325  197.6320  244.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7268  195.0997  247.3387 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.0256  196.2833  246.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
179.34314745,-155.70612174,-154.51539573,-171.54665318,57.24711996,-175.02326342
176.72943191,-64.26643842,71.02411515,-143.21677024,216.96432097,195.09336842
244.95165726,2.43395360,-1.22573902,-3.08141988

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446829/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.90018

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.641667

>  <SCORE.INTRA>
-5.49982

>  <SCORE.INTRA.DIHEDRAL>
1.30034

>  <SCORE.INTRA.DIHEDRAL.0>
3.32576

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.14999

>  <SCORE.INTRA.VDW.0>
3.24038

>  <SCORE.INTRA.norm>
-0.229159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.412507

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000187

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  218.7019  177.2573  252.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3565  178.5738  252.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6164  178.6418  252.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3517  179.7970  252.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4786  180.0410  251.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3422  181.1182  251.6891 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3610  182.2627  252.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3771  182.9573  252.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2842  182.6753  253.1062 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9414  182.2197  252.8607 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.9077  180.7611  253.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5715  180.3590  254.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9088  183.0949  253.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0353  183.4690  254.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0677  184.2696  255.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9718  184.7344  254.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8286  184.3647  253.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7904  183.5519  252.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0866  185.5008  255.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6365  186.6801  254.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9385  179.0652  250.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2164  181.0442  251.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.4046  183.5960  253.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  1  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-179.88468681,-172.30592371,-47.82494011,135.41258881,220.41801433,181.94066441
253.17320818,0.96043516,-0.29470366,-2.86091550

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446830/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.1036

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.2964

>  <SCORE.INTRA.DIHEDRAL>
-4.81885

>  <SCORE.INTRA.DIHEDRAL.0>
8.47857

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.113019

>  <SCORE.INTRA.VDW.0>
1.51413

>  <SCORE.INTRA.norm>
-0.109353

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.338266

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002755

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  235.8515  197.3074  234.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  236.8695  198.1749  234.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  237.0067  199.2328  233.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  236.8739  200.6639  233.7558 C   0  0  2  0  0  0  0  0  0  0  0  0
  237.9635  200.8835  234.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
  239.1491  200.9581  234.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
  237.6014  200.9444  236.0599 N   0  0  0  0  0  0  0  0  0  0  0  0
  236.3394  200.9842  236.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  236.2126  201.0781  237.7845 O   0  0  0  0  0  0  0  0  0  0  0  0
  235.2950  200.9454  235.6603 N   0  0  0  0  0  0  0  0  0  0  0  0
  235.4823  200.9232  234.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.5503  201.0944  233.4908 O   0  0  0  0  0  0  0  0  0  0  0  0
  233.9071  201.0608  236.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.5003  199.8301  236.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.0927  199.9619  237.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.9261  201.2635  238.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.2360  202.4713  237.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.6495  202.3941  236.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  238.3470  201.0533  236.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
113.26606731,60.90053805,-67.68323612,235.36739812,200.57674204,235.68316005
0.56778217,-0.30644714,-2.40907434

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446831/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.8987

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-0.501298

>  <SCORE.INTRA.DIHEDRAL>
-0.159995

>  <SCORE.INTRA.DIHEDRAL.0>
2.66747

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.421301

>  <SCORE.INTRA.VDW.0>
-1.36567

>  <SCORE.INTRA.norm>
-0.0278499

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.438817

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001943

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  219.6739  173.7485  246.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8877  175.0072  246.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6434  175.7255  245.2383 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9230  176.8645  245.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4969  177.2888  246.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7515  176.6062  247.7594 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4592  175.4526  247.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6993  174.5523  249.1438 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.6254  173.1327  248.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2489  173.3733  248.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3428  172.3170  248.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8026  171.0025  248.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1653  170.7490  248.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0702  171.8080  249.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6473  177.6916  244.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9610  178.1953  243.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8474  176.9126  243.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
-62.44325036,-69.27749065,-61.40859640,217.81130920,174.76087095,247.06071583
-1.36479353,0.74006291,2.27092242

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446833/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.65485

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-0.745152

>  <SCORE.INTRA.DIHEDRAL>
-0.208985

>  <SCORE.INTRA.DIHEDRAL.0>
4.84866

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.640659

>  <SCORE.INTRA.VDW.0>
-0.767328

>  <SCORE.INTRA.norm>
-0.0438325

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.450285

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000356

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  195.1199  205.1598  264.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7881  203.8270  264.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3548  203.4562  263.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0315  202.1923  263.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1052  201.2794  264.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4505  201.5415  265.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8103  202.9294  265.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8465  199.9623  264.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0209  199.8183  265.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9184  198.7501  264.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
118.43377035,196.75212684,201.85811848,264.56783900,2.67213381,1.05515617
-1.00464735

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446842/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-1.47621e-07

>  <SCORE.INTRA.DIHEDRAL>
6.79513e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.0320945

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.41233e-05

>  <SCORE.INTRA.VDW.0>
0.739991

>  <SCORE.INTRA.norm>
-1.47621e-08

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.64

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007428

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  184.9855  215.5096  265.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7679  216.0685  265.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5632  215.5796  265.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5974  214.5236  264.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8183  213.9678  263.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0239  214.4299  264.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2467  213.9913  263.8545 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.3153  216.0591  265.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.1715  217.4820  265.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1737  218.0100  264.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5594  217.8743  263.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6262  218.5435  262.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9594  218.2686  261.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0157  216.9292  260.7591 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.9363  215.9907  261.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7872  216.2369  262.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8356  214.6253  260.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4366  214.0686  260.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2760  213.6066  260.9184 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6273  214.5929  263.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.9346  213.7479  264.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.3242  216.6867  260.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <CHROM.1>
43.95436744,-75.32385836,73.82241115,-69.72079431,-173.37672057,-173.55230284
77.31647998,-117.33796821,-56.57476290,183.53760825,215.91656968,263.16380942
-2.63556770,0.85346109,-1.11228870

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446843/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.499

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.757895

>  <SCORE.INTRA>
-2.90104

>  <SCORE.INTRA.DIHEDRAL>
4.88969

>  <SCORE.INTRA.DIHEDRAL.0>
3.24663

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.152686

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.605208

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000083

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  192.7467  219.4144  250.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7274  217.9689  250.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3021  216.9545  249.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3233  215.6092  250.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7629  215.2522  251.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1407  216.2686  252.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1361  217.6094  251.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8038  213.8957  251.7821 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6261  212.6836  251.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6423  211.7037  251.9940 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8895  212.2871  253.2070 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0464  213.5973  253.0872 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6114  212.4871  249.4063 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.3644  212.6310  248.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9365  213.9398  249.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4393  213.9939  250.5973 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8235  215.0378  248.6237 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3399  216.3313  248.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1543  217.3603  247.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5623  218.6733  248.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1736  218.9642  249.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4705  217.9225  250.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0351  216.6252  250.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4931  220.2809  249.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4176  220.7475  251.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5288  220.2490  252.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5464  220.7489  253.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4122  221.7871  253.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2557  222.3312  252.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2583  221.8128  251.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7132  217.3173  248.0903 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.2105  214.9600  247.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
9.05833338,74.91373957,-53.27068582,88.47086154,-179.48591789,146.10055641
-29.68210763,194.20383001,216.66050604,250.49792935,0.29702044,-1.16149685
-1.14422873

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446844/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24934

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-6.15066

>  <SCORE.INTRA.DIHEDRAL>
1.17463

>  <SCORE.INTRA.DIHEDRAL.0>
7.20285

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.73797

>  <SCORE.INTRA.VDW.0>
-0.791094

>  <SCORE.INTRA.norm>
-0.198408

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.201592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9 10  0  0  0  0  0  0  0  0999 V2000
  197.6593  212.5435  245.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0316  211.2189  246.1218 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.2351  212.2302  247.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8661  209.9932  246.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6649  209.4862  247.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4373  208.3082  247.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1862  207.8383  249.2284 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3002  207.7013  250.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4217  208.8354  250.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
120.83076637,179.94595929,179.68591862,-120.89518881,197.97446945,209.81683490
247.85245801,3.10592335,1.32355766,-2.27683788

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446845/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.32876

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-1.07124

>  <SCORE.INTRA.DIHEDRAL>
-1.83247

>  <SCORE.INTRA.DIHEDRAL.0>
5.41134

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.155005

>  <SCORE.INTRA.VDW.0>
-0.709219

>  <SCORE.INTRA.norm>
-0.119027

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.925418

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.119159

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  198.6250  199.4311  250.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9499  200.1578  250.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1920  199.6340  250.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4558  200.4578  250.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3628  198.1814  251.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4489  197.4144  251.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6481  197.7681  251.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7540  201.6042  250.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4024  202.2304  249.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2629  203.6058  249.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4775  204.3606  250.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8218  203.7423  251.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9576  202.3667  251.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8026  196.8342  251.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
-124.66890021,-6.60336421,179.28263674,200.38989206,200.71086742,250.65717346
1.21730770,-0.17836300,2.89407505

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446846/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.74013

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-2.65987

>  <SCORE.INTRA.DIHEDRAL>
-6.36996

>  <SCORE.INTRA.DIHEDRAL.0>
15.4972

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.525112

>  <SCORE.INTRA.VDW.0>
1.99691

>  <SCORE.INTRA.norm>
-0.204605

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.364625

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041787

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  213.2225  201.9242  245.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8875  201.0480  246.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1252  201.1355  248.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6403  200.3111  249.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7121  200.4818  250.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0272  199.6361  251.4273 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1419  199.7137  252.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1533  200.4331  252.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5161  198.6741  253.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5502  197.2631  252.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1621  196.8260  252.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2446  195.5818  251.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9829  195.8330  250.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1060  195.4389  249.9902 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2386  196.6777  249.4959 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8718  197.0749  248.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0316  198.0124  247.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7642  199.1722  248.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9682  200.1362  247.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7376  201.3032  248.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
178.17159576,-178.66899608,175.24754433,-175.43283093,-0.25628128,-57.11821547
-63.68048586,165.65400744,-65.11986399,106.78931628,175.69775264,179.75224953
59.13301971,-179.42517704,179.22639162,212.00238885,198.86441059,249.79928061
1.26557962,-1.39758510,-1.17095440

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446847/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.64437

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02

>  <SCORE.INTRA>
-16.7556

>  <SCORE.INTRA.DIHEDRAL>
-28.6605

>  <SCORE.INTRA.DIHEDRAL.0>
32.3231

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.42536

>  <SCORE.INTRA.VDW.0>
-0.169051

>  <SCORE.INTRA.norm>
-0.837782

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.182218

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011286

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  204.8021  198.7580  245.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8153  199.2674  246.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4009  200.5295  246.6337 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1804  201.1540  247.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2367  200.6747  247.9576 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6487  202.3869  247.9927 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6332  203.1153  247.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9586  202.7912  246.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8982  203.6582  245.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5297  204.7182  246.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4277  203.0396  244.5647 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3832  203.7391  243.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2572  202.9821  249.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1580  202.0549  250.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8745  202.6279  251.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3167  203.0108  251.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3741  204.0162  250.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7021  203.4660  248.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
179.99830685,-0.25210741,-58.59742002,-0.10861554,179.79775601,205.33660826
202.31272753,247.56737882,-2.74283446,-0.76814071,0.55573504

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446848/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64701

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-4.75299

>  <SCORE.INTRA.DIHEDRAL>
-9.16571

>  <SCORE.INTRA.DIHEDRAL.0>
10.3584

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.170132

>  <SCORE.INTRA.VDW.0>
1.09445

>  <SCORE.INTRA.norm>
-0.264055

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.313723

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007439

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  198.9744  219.0189  260.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9158  219.9390  260.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8347  221.2604  260.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2382  222.3262  260.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2852  221.1570  262.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5729  217.5416  260.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3730  217.2708  261.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8239  218.1070  262.3365 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9621  215.9853  261.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0119  220.2484  262.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1900  215.7945  262.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
144.31969839,-65.54627252,107.62246349,-0.62349526,-3.63013375,179.46455342
197.73610570,219.17101284,261.23220936,-1.37709211,-0.80388131,3.13549962

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446849/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.72608

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-3.67392

>  <SCORE.INTRA.DIHEDRAL>
2.06086

>  <SCORE.INTRA.DIHEDRAL.0>
3.8732

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.30435

>  <SCORE.INTRA.VDW.0>
1.82674

>  <SCORE.INTRA.norm>
-0.408214

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.636231

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  193.8739  209.8015  252.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3759  210.7927  251.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5504  211.5327  251.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3859  212.3269  250.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1900  212.1247  250.0574 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6342  211.1478  250.7986 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5583  213.4606  250.0214 S   0  0  1  0  0  0  0  0  0  0  0  0
  197.3508  212.6829  249.0080 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4659  214.5648  249.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6715  215.4423  250.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9975  216.5838  250.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5597  214.8625  250.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6407  211.5019  252.7474 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.5616  210.6852  253.6740 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5570  212.3148  252.5930 O   0  5  0  0  0  0  0  0  0  0  0  0
  192.7259  210.7835  250.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4637  213.9263  250.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
93.77411610,73.61512745,96.00866282,1.83305026,195.46508764,212.73980529
251.00063546,1.52115098,0.08654536,2.56752265

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446850/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.18434

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-1.21566

>  <SCORE.INTRA.DIHEDRAL>
-0.963951

>  <SCORE.INTRA.DIHEDRAL.0>
3.28625

>  <SCORE.INTRA.POLAR>
-0.179069

>  <SCORE.INTRA.POLAR.0>
-0.820931

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.124852

>  <SCORE.INTRA.VDW.0>
-0.556572

>  <SCORE.INTRA.norm>
-0.0810443

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.478956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000235

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  195.3183  211.0513  250.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6315  211.5172  249.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9691  213.2101  250.4709 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.4744  213.5492  249.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0693  214.7333  249.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <CHROM.1>
179.99820777,179.97129732,197.19028784,212.86504506,250.17516800,2.50496669
-0.51607915,-2.71306460

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446851/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.4

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
4.87964e-07

>  <SCORE.INTRA.DIHEDRAL>
9.87514e-07

>  <SCORE.INTRA.DIHEDRAL.0>
2.15984e-08

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.79348e-09

>  <SCORE.INTRA.VDW.0>
-0.220517

>  <SCORE.INTRA.norm>
9.75927e-08

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.48

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.076676

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  192.7964  206.9409  260.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1999  208.2277  260.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3949  209.0175  259.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1778  208.5382  259.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7965  207.2352  259.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5916  206.4472  260.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3528  209.3590  258.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1436  208.8956  257.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3621  209.6911  256.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7625  210.9864  256.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9848  211.4427  257.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7579  210.6484  257.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9024  211.9101  255.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1300  211.8649  254.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3187  211.8274  252.9744 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
M  END
>  <CHROM.1>
178.94125928,-91.67776592,190.23605024,209.54600135,257.78481467,-0.94176250
-0.57228535,-0.55271969

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446852/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.60808

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.791923

>  <SCORE.INTRA.DIHEDRAL>
-1.45421

>  <SCORE.INTRA.DIHEDRAL.0>
2.08353

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0648209

>  <SCORE.INTRA.VDW.0>
-0.0334521

>  <SCORE.INTRA.norm>
-0.0527949

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.440538

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044421

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  193.8722  217.0739  256.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5534  218.0131  255.1862 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9015  218.0133  253.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3231  219.0345  253.2808 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6347  219.6936  254.2741 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7697  219.0758  255.4409 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9641  216.8564  253.1607 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.6193  217.0642  251.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1251  217.0747  251.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4320  218.1054  250.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0542  218.0371  250.3444 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1991  217.4998  251.4288 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2258  216.8928  250.3287 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.4512  217.2706  249.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7719  217.1683  248.1971 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8540  215.4580  250.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3221  214.3660  249.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0816  214.4464  248.9156 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8255  213.0193  250.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2901  212.7690  252.1209 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.1168  212.7453  251.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8463  212.8838  253.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4516  212.9987  254.4074 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9957  217.6465  250.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2286  217.3690  248.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9860  216.3028  252.5531 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.3545  215.8454  251.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0654  219.4427  250.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2392  219.7098  250.4193 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1800  220.3531  249.7729 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1034  215.2979  251.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2777  219.9878  249.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 27  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  6  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  6  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <CHROM.1>
163.32815534,-47.89757553,118.42955514,0.97771307,-105.69684059,165.16695219
-58.97826777,-63.85300029,166.02613120,-1.20092134,191.55553592,216.60379630
251.72126910,-0.20526708,0.77221425,2.57355923

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446853/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.22452

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48

>  <SCORE.INTRA>
-6.17548

>  <SCORE.INTRA.DIHEDRAL>
-2.13879

>  <SCORE.INTRA.DIHEDRAL.0>
6.62609

>  <SCORE.INTRA.POLAR>
-0.0920615

>  <SCORE.INTRA.POLAR.0>
-0.219577

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.79307

>  <SCORE.INTRA.VDW.0>
-2.19192

>  <SCORE.INTRA.norm>
-0.205849

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.274151

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000681

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  209.0655  207.5032  251.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6024  206.1721  250.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2144  206.0101  250.7513 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6710  204.8474  250.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2860  203.9528  249.7371 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3534  204.7911  250.7385 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6718  203.5932  250.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4061  203.6744  249.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7080  202.4938  249.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2865  201.2601  249.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5227  201.1786  250.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2029  202.3509  250.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5622  200.0386  249.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1319  198.9587  249.4799 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1166  200.1999  249.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6626  201.4553  248.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4573  202.5999  249.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2335  201.7736  248.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3767  201.4709  249.6212 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.0510  203.0903  248.3392 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.8041  201.0709  247.5305 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.2594  199.0034  249.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3605  198.2567  247.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5370  197.1553  247.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6165  196.7581  248.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5386  197.4540  249.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3416  198.5795  250.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0514  199.0972  251.3060 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9702  199.9081  252.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-179.83554341,4.65244342,-174.32534164,-131.06218940,-78.36088328,65.61641816
-22.82747547,202.30157957,201.63920375,249.67881873,0.64295351,-0.23672885
-0.08267162

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446854/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44058

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-5.95942

>  <SCORE.INTRA.DIHEDRAL>
-10.7667

>  <SCORE.INTRA.DIHEDRAL.0>
19.9177

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.576073

>  <SCORE.INTRA.VDW.0>
-1.65972

>  <SCORE.INTRA.norm>
-0.205497

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.222089

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  194.4890  225.2028  248.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1722  224.7865  248.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0799  224.0795  247.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2869  224.0470  246.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1817  224.7465  247.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5653  224.9185  246.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4054  225.5170  247.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9479  224.2943  245.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0767  223.6032  244.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6264  223.4174  245.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8082  222.7193  244.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3800  222.1579  243.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6665  222.3628  242.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5019  223.0498  243.6904 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1681  221.8128  241.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4768  221.1931  240.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4722  222.0997  241.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3556  222.4356  244.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8034  222.6143  245.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6618  221.9445  243.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2770  224.4370  245.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0189  224.9596  249.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9107  224.5038  248.9875 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2798  225.6970  250.3249 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2231  223.6156  246.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3836  223.4253  243.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8030  221.7554  240.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7199  221.7348  243.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7009  224.9668  245.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5117  225.8220  250.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 30  1  0  0  0  0
M  END
>  <CHROM.1>
-178.74474924,-0.74162670,-11.64023985,0.62310580,-179.12892809,179.18254580
179.92107219,194.59305307,223.59690541,245.56233258,-2.02291240,-0.23780624
-2.07935530

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446855/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.85165

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-4.54835

>  <SCORE.INTRA.DIHEDRAL>
-5.80154

>  <SCORE.INTRA.DIHEDRAL.0>
6.41331

>  <SCORE.INTRA.POLAR>
-0.251296

>  <SCORE.INTRA.POLAR.0>
-0.305

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.793178

>  <SCORE.INTRA.VDW.0>
1.12773

>  <SCORE.INTRA.norm>
-0.189515

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.160485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009973

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  187.4388  216.9190  255.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3255  217.5937  254.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1358  216.8667  252.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0423  215.4772  252.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1356  214.7978  254.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3360  215.5263  255.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4784  214.6089  256.8995 Br  0  0  0  0  0  0  0  0  0  0  0  0
  186.7911  214.5036  251.2641 Br  0  0  0  0  0  0  0  0  0  0  0  0
  187.4540  219.0717  253.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3597  219.6465  252.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6432  219.7178  255.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7171  220.6879  255.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
179.63935856,-179.07313692,187.21955108,215.79813633,254.04869205,-0.52367552
-1.42978908,-0.55253959

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446856/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.55779

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-1.84221

>  <SCORE.INTRA.DIHEDRAL>
-3.55144

>  <SCORE.INTRA.DIHEDRAL.0>
3.56652

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0664837

>  <SCORE.INTRA.VDW.0>
0.157128

>  <SCORE.INTRA.norm>
-0.167473

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.414345

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000498

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  214.5989  188.1364  243.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8399  187.0278  242.6970 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6543  186.2560  241.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8469  185.1460  241.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6001  185.6103  240.3669 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8269  186.3466  241.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6064  187.5111  242.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8727  186.4586  239.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4621  185.6608  238.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6823  185.8837  237.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8813  184.9194  236.4939 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8345  184.0266  236.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9014  184.4915  237.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7013  183.7654  237.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5219  182.5538  236.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4930  182.1070  235.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6556  182.8506  235.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3608  181.7509  237.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4330  181.0996  237.3800 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6920  184.8531  235.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <CHROM.1>
69.43553741,-121.46203560,212.97047574,184.89758538,238.96790074,-1.27887194
-0.56551155,-2.09519219

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446857/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.16799

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-1.23201

>  <SCORE.INTRA.DIHEDRAL>
-2.05752

>  <SCORE.INTRA.DIHEDRAL.0>
2.44597

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.203255

>  <SCORE.INTRA.VDW.0>
-0.78277

>  <SCORE.INTRA.norm>
-0.0648428

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.324631

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000444

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  216.8722  182.7340  237.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5569  183.7577  238.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9188  183.3798  238.6087 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2983  182.6536  239.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6901  182.5647  239.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3595  181.9150  240.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5310  181.4050  241.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1374  181.4816  241.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4846  182.1121  240.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7162  180.8593  243.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8583  180.4591  243.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9617  180.7778  242.9509 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2865  183.3166  238.6242 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.0386  183.8333  237.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0496  184.5342  236.9031 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2052  184.4548  239.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3878  184.4714  238.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5746  185.4344  239.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2786  186.5231  240.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4992  186.8816  239.9182 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.8711  187.9485  240.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9039  188.4073  241.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4538  187.5164  241.3349 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.9992  189.4664  242.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6890  185.2456  240.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  1  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-92.97926655,119.79671003,8.24703393,220.78808416,184.25109095,240.27632095
2.63895192,0.93546097,2.20727450

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446866/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.7419

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-1.6581

>  <SCORE.INTRA.DIHEDRAL>
-2.05611

>  <SCORE.INTRA.DIHEDRAL.0>
6.16726

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.630045

>  <SCORE.INTRA.VDW.0>
-1.64303

>  <SCORE.INTRA.norm>
-0.0690875

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.280912

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000377

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  212.4357  199.6423  247.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4295  198.6241  248.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9791  198.9446  249.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9553  197.8616  250.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5463  197.9984  252.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1282  199.2677  252.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0987  200.3457  251.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5386  200.1870  250.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6041  199.3071  253.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9643  200.4220  254.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4585  196.7841  252.9483 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1109  196.9864  254.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1412  197.7617  254.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5796  197.9664  256.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6367  198.1500  257.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0478  198.5273  258.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4022  198.7242  258.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3486  198.5291  257.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9407  198.1480  256.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9323  198.5177  253.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2647  196.2146  255.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5665  195.7754  256.3529 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9290  195.9782  254.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9272  195.5874  255.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0910  196.3515  253.2612 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9891  196.3328  252.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5492  197.6897  251.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4409  198.3211  250.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8404  199.5767  250.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6141  199.6289  252.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0449  198.4895  252.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6788  198.3650  252.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11  5  1  1  0  0  0
 11 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
177.16870199,132.67773435,139.77663381,-42.02882898,-3.74484283,-68.83966332
122.97606388,211.31951493,198.15218213,253.43056428,-2.03516732,0.32310666
1.88239376

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446867/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.8673

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-6.5327

>  <SCORE.INTRA.DIHEDRAL>
-11.2706

>  <SCORE.INTRA.DIHEDRAL.0>
22.1799

>  <SCORE.INTRA.POLAR>
0.911702

>  <SCORE.INTRA.POLAR.0>
-0.911702

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.99721

>  <SCORE.INTRA.VDW.0>
-0.455199

>  <SCORE.INTRA.norm>
-0.210732

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.15701

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000303

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  195.5027  208.6605  265.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4774  209.0344  264.2709 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2746  209.6899  264.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2333  209.0567  265.1499 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4419  211.0272  265.3178 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4873  211.8309  265.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7860  213.1766  266.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8560  214.0252  266.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6112  213.5466  267.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3274  212.1938  267.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2544  211.3478  266.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6068  214.3395  267.8488 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6575  215.6949  268.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5971  216.4495  267.8872 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3928  216.2327  268.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0683  209.9083  263.2995 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2574  210.2694  262.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0894  209.9440  262.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9290  211.2591  261.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0870  211.9564  260.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6093  213.0223  259.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8832  213.4463  259.9905 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7006  212.7538  260.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9902  213.2280  261.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9213  212.5355  261.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5806  211.3083  262.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2828  210.8316  262.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3023  211.5827  261.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8164  213.7994  258.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5094  213.7307  258.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3442  214.7689  257.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5530  215.4187  257.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4495  214.8432  258.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2877  211.4801  264.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7491  213.8556  268.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 33  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
-103.49624259,177.88566045,-177.99017033,0.95706346,2.05718623,-163.82082070
-0.90970306,193.61374291,212.44469118,263.30380199,-2.47363946,0.77908617
-0.98804241

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446868/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-3.92

>  <SCORE.INTRA.DIHEDRAL>
-4.51414

>  <SCORE.INTRA.DIHEDRAL.0>
6.26458

>  <SCORE.INTRA.POLAR>
-0.000432034

>  <SCORE.INTRA.POLAR.0>
-0.000600125

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.66146

>  <SCORE.INTRA.VDW.0>
0.709387

>  <SCORE.INTRA.norm>
-0.118788

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.25697

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000615

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  193.3656  222.6625  254.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2127  223.5522  254.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0526  222.7302  254.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9237  223.3973  253.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8741  224.5885  253.5192 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8642  222.4240  253.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8720  221.0638  253.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6396  220.4411  253.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7228  221.3432  252.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3495  222.9434  253.0180 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.4671  221.0696  252.4595 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2917  220.6957  251.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8839  221.7177  250.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6501  223.0926  250.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2332  223.9905  249.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1068  223.5353  248.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4072  222.1783  248.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7959  221.2822  249.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2712  221.6067  247.3404 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3291  222.1911  246.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8551  223.6351  251.1756 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8448  220.5510  253.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.7657  222.9723  251.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.55096714,2.09063043,2.39259186,-87.47062799,-54.59224130,-48.51691685
18.67364546,-34.70234427,187.96918676,222.44229190,251.56308648,-0.88723535
-0.20357527,-1.52375587

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446869/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38927

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.590476

>  <SCORE.INTRA>
-6.01073

>  <SCORE.INTRA.DIHEDRAL>
-5.72339

>  <SCORE.INTRA.DIHEDRAL.0>
9.21364

>  <SCORE.INTRA.POLAR>
-0.0785772

>  <SCORE.INTRA.POLAR.0>
-0.741713

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.88187

>  <SCORE.INTRA.VDW.0>
2.49865

>  <SCORE.INTRA.norm>
-0.286225

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.304251

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000132

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  192.0899  219.4816  260.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3655  219.5687  262.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3012  220.1570  263.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1892  220.4401  262.0073 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1473  219.9285  262.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1076  219.4231  262.3893 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4761  218.7653  261.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3311  217.2720  261.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0936  219.3887  261.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
117.32532637,117.72184794,189.35008939,219.36526824,261.83888187,-0.29538336
0.00284996,-2.57539998

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446870/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.71435

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-1.68565

>  <SCORE.INTRA.DIHEDRAL>
-2.38612

>  <SCORE.INTRA.DIHEDRAL.0>
2.40724

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.492595

>  <SCORE.INTRA.VDW.0>
0.0577836

>  <SCORE.INTRA.norm>
-0.187295

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.634927

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002734

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  206.2615  194.3060  249.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9885  195.0925  248.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0537  194.5472  247.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4177  193.2141  247.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6777  192.4299  248.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5985  192.9631  249.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0257  191.0424  248.9053 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.2168  190.8062  249.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1166  190.2086  248.8321 O   0  5  0  0  0  0  0  0  0  0  0  0
  209.4675  192.7137  247.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7704  195.4545  246.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7300  196.6699  246.7738 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4092  194.8229  245.6584 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6882  193.3606  246.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.8596  195.4340  245.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <CHROM.1>
20.45423351,-12.03090621,178.70260851,208.13091183,193.36308682,247.95726681
1.78879360,-0.67174222,2.80482651

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446871/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.78579

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-2.61421

>  <SCORE.INTRA.DIHEDRAL>
-3.96539

>  <SCORE.INTRA.DIHEDRAL.0>
6.13401

>  <SCORE.INTRA.POLAR>
-0.356786

>  <SCORE.INTRA.POLAR.0>
-0.618675

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.581558

>  <SCORE.INTRA.VDW.0>
0.194845

>  <SCORE.INTRA.norm>
-0.201093

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.291215

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000619

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  198.2000  208.5991  237.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0032  209.3672  238.6641 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7759  208.7660  239.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9546  209.0796  240.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1071  207.8025  240.6089 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8348  207.1392  240.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4964  206.1562  241.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7882  206.0947  242.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1405  205.2209  243.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3843  205.3843  243.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2336  206.4316  243.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8656  207.3057  242.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6533  207.1084  241.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4432  210.7179  238.4483 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1108  211.5869  239.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5760  212.8701  239.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3187  213.1495  238.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8396  214.3343  237.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7288  215.4539  238.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0884  215.3640  239.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4059  214.0968  240.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8351  214.3424  241.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0233  213.2445  242.3336 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7367  212.9617  241.7206 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9476  212.3047  242.9454 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4522  214.0289  243.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1436  213.3449  245.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6331  214.0855  246.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4392  215.4683  245.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7629  216.1460  244.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2773  215.4260  243.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9253  216.1506  246.9978 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.4607  211.1150  240.4881 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  1  33  -1
M  END
>  <CHROM.1>
85.97472243,170.38762593,177.26138927,-73.61490340,-156.35685853,197.76606745
211.34461157,241.62612554,-0.87388273,1.17948813,-0.30195180

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446872/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.75682

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-4.64318

>  <SCORE.INTRA.DIHEDRAL>
-8.43368

>  <SCORE.INTRA.DIHEDRAL.0>
11.9067

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.42634

>  <SCORE.INTRA.VDW.0>
-1.23017

>  <SCORE.INTRA.norm>
-0.140702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.174449

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000579

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 12  0  0  0  0  0  0  0  0999 V2000
  181.5447  219.8580  255.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7027  220.8354  255.5491 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.9230  219.9391  255.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4669  218.5379  255.7644 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.0705  218.8523  256.3685 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.2157  219.7946  257.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6010  220.9827  257.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4898  217.8866  256.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0866  216.4767  257.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9043  216.5218  257.9031 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6824  215.6079  258.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  1  0  0  0
  5  1  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-175.50740488,-65.37074758,-179.81408236,183.01101839,218.87873802,256.48964504
1.91108313,0.60682138,-0.56243436

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446873/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.89376

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.506237

>  <SCORE.INTRA.DIHEDRAL>
-0.301029

>  <SCORE.INTRA.DIHEDRAL.0>
0.514612

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.355723

>  <SCORE.INTRA.VDW.0>
-0.256264

>  <SCORE.INTRA.norm>
-0.0506237

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.689376

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  190.9591  226.8577  265.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2700  227.4085  265.9974 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7939  227.8437  264.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4790  229.0574  264.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0669  229.6028  263.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0067  228.9264  262.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3157  227.7074  262.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7205  227.1649  263.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6180  229.5436  261.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5999  228.9998  260.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2150  229.7101  258.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7401  230.8099  259.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1090  229.0012  257.7600 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6535  229.4856  256.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1386  229.1495  256.3431 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.4063  227.6522  256.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8257  227.5834  256.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8762  228.7189  257.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8847  229.6805  257.4613 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8201  228.0325  257.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
137.98554337,-178.72298599,-1.16620191,84.33274896,61.24800988,195.01576461
228.67842028,260.60015172,-2.62450952,0.92802661,-0.47983229

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446882/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.13052

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-2.26948

>  <SCORE.INTRA.DIHEDRAL>
-2.27673

>  <SCORE.INTRA.DIHEDRAL.0>
5.33583

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13111

>  <SCORE.INTRA.VDW.0>
0.965999

>  <SCORE.INTRA.norm>
-0.119446

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.427922

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002984

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  194.8505  215.7853  241.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3191  215.4389  242.1368 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.8810  214.7276  240.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0717  216.7461  242.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3584  214.5038  243.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7861  214.1157  243.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8455  213.1952  245.0489 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3381  212.8668  245.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5477  211.9256  246.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1803  212.2612  247.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1476  213.7559  246.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5070  215.0391  246.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9459  215.5837  247.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0391  214.8393  248.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6523  213.5788  248.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1718  213.0607  247.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3906  215.4709  250.1354 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.1180  212.0108  244.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1746  211.3744  245.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-177.93670894,179.26356733,-179.46105921,-177.45453349,-53.84562745,176.28025263
-117.37131429,196.97394267,214.26864525,245.75944625,1.52553445,0.76560820
-1.46702920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446883/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.63459

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-4.76541

>  <SCORE.INTRA.DIHEDRAL>
-6.21925

>  <SCORE.INTRA.DIHEDRAL.0>
7.06488

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.65579

>  <SCORE.INTRA.VDW.0>
1.95694

>  <SCORE.INTRA.norm>
-0.264745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.368588

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  200.6774  213.4289  248.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5010  211.9740  249.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7198  211.8864  250.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4818  209.8487  251.2837 I   0  0  0  0  0  0  0  0  0  0  0  0
  201.4560  213.5165  247.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6983  215.5545  247.0227 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87554280,-179.80543119,179.95003916,200.58980416,212.70156077,249.15304732
0.94585662,1.02992759,-0.09669364

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446884/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.40009

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.4

>  <SCORE.INTRA>
8.89233e-05

>  <SCORE.INTRA.DIHEDRAL>
0.000179132

>  <SCORE.INTRA.DIHEDRAL.0>
3.85088e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.42634e-07

>  <SCORE.INTRA.VDW.0>
-0.574323

>  <SCORE.INTRA.norm>
1.48206e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.40001

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 31  0  0  0  0  0  0  0  0999 V2000
  203.3705  200.9615  255.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2689  201.4623  254.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3846  201.3842  253.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3233  201.8685  252.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1339  202.3964  251.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0233  202.4904  252.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0908  202.0291  253.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0384  202.8815  250.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9602  203.4094  249.7802 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2640  203.7940  248.4904 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5078  203.4507  248.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0365  202.8582  249.3851 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3364  202.3541  249.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1495  202.4704  248.3849 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6432  203.0805  247.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3637  203.5783  247.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1279  204.0917  245.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2931  203.9760  245.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6019  203.2937  245.8759 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.9043  204.6320  245.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7156  204.7317  245.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5412  205.2835  245.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5420  205.7105  244.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7251  205.6014  243.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8934  205.0955  243.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3350  206.2801  243.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3240  205.4091  246.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-179.01928276,1.26133444,203.25255566,203.49555336,248.26796881,1.41331438
-0.28491690,1.89002193

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446885/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.19988

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.274074

>  <SCORE.INTRA>
-3.20012

>  <SCORE.INTRA.DIHEDRAL>
-8.15545

>  <SCORE.INTRA.DIHEDRAL.0>
8.17087

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.877606

>  <SCORE.INTRA.VDW.0>
-1.29875

>  <SCORE.INTRA.norm>
-0.118523

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.155551

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000474

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  220.2568  185.5049  245.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7658  184.5997  244.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8388  183.1955  244.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3818  182.4506  243.0954 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8408  183.0580  242.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7381  184.4202  241.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2100  185.1974  242.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4101  182.5051  245.2017 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2176  181.1602  245.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5065  180.4148  244.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8955  180.6259  246.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1946  179.3082  246.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8594  178.8860  248.0151 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2213  179.7015  249.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9188  181.0143  249.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2410  181.6353  247.8274 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.0436  182.5158  248.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7562  181.9983  248.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6430  182.8498  248.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8555  184.2355  248.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1377  184.7539  248.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2076  183.9094  248.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7529  185.0098  248.9506 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6127  186.1905  248.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2499  182.2512  248.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0915  181.4971  247.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0935  182.1825  246.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1295  181.3631  245.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0928  181.9052  243.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9974  183.2834  243.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9475  184.1180  244.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9968  183.5712  245.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9474  183.8093  242.3658 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.3220  181.8631  250.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4183  183.0865  250.1245 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6375  181.1583  251.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6093  180.0452  251.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9746  179.0479  250.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9117  178.1751  245.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8979  183.0877  245.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.1825  177.9219  248.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 38  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
162.52436860,-156.98735609,45.21773505,-53.86455526,-133.89493801,-66.77487262
171.17607904,219.25034252,182.38310373,246.67432466,2.52929981,0.71122609
-1.80934401

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446886/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.62412

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.317949

>  <SCORE.INTRA>
-4.77588

>  <SCORE.INTRA.DIHEDRAL>
3.68267

>  <SCORE.INTRA.DIHEDRAL.0>
3.32737

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.61722

>  <SCORE.INTRA.VDW.0>
1.68832

>  <SCORE.INTRA.norm>
-0.122458

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.19549

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000182

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  198.1705  210.0026  247.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0664  209.3733  247.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4376  209.5974  247.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9276  210.4515  246.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0134  211.0843  245.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6424  210.8590  246.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4079  210.6901  246.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1753  210.0143  247.5348 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.8608  210.3142  245.4054 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.7449  212.0030  246.7694 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
-0.35504850,201.08893645,210.47865379,246.76967225,2.95961460,0.05878188
2.25648850

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446887/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-1.70104e-06

>  <SCORE.INTRA.DIHEDRAL>
9.96204e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.719975

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.15112e-05

>  <SCORE.INTRA.VDW.0>
-0.392797

>  <SCORE.INTRA.norm>
-1.70104e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.64

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.195645

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  200.2876  206.5217  233.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0281  206.3046  234.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6200  207.3232  235.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4190  207.0566  236.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1243  208.0334  238.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4197  209.4794  237.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5176  210.4626  237.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9104  211.8771  237.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5995  212.2523  235.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3230  211.3779  234.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9340  211.7971  233.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6221  210.9377  232.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1510  210.2860  237.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7711  209.7857  237.6556 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9376  209.3699  237.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2995  208.9880  237.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.14311064,178.73676968,-60.18179562,108.19999748,-1.55328794,108.20119893
0.65408419,-60.64749485,178.71594722,-179.31758415,200.98151805,209.52477734
235.88543659,-3.07507050,1.56327301,1.40663956

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446888/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.804

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.957143

>  <SCORE.INTRA>
-0.595978

>  <SCORE.INTRA.DIHEDRAL>
0.252535

>  <SCORE.INTRA.DIHEDRAL.0>
0.205888

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.722246

>  <SCORE.INTRA.VDW.0>
-0.705291

>  <SCORE.INTRA.norm>
-0.0425699

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.914573

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001790

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  212.5583  171.8365  243.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6591  171.2457  242.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8895  170.7894  243.2052 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9286  170.1247  242.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4868  171.8794  243.9817 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6295  171.7863  245.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3397  170.8225  246.0466 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1852  173.0534  245.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3394  173.2456  247.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7991  174.4721  247.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1682  175.6367  247.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5968  176.6535  248.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5478  176.2388  249.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9848  174.6303  249.4614 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.9195  176.9975  250.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5132  174.1527  244.6156 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.9233  173.0412  243.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9256  173.3245  242.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
176.46982258,122.64695341,-0.52868897,216.08275495,173.41970650,245.78867626
2.39868853,-1.11426641,-1.40414901

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446889/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.89748

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-11.3051

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.15004

>  <SCORE.INTRA.VDW.0>
-1.61746

>  <SCORE.INTRA.norm>
-0.25014

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.216527

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001977

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  222.8106  180.4023  248.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6165  181.6258  247.9801 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.7292  182.8856  247.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4621  183.7775  248.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0737  185.0639  249.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8894  185.7853  250.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0630  185.2098  250.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4371  183.9100  250.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6339  183.1870  249.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7865  181.8969  248.8577 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.8502  180.9967  248.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8741  179.9926  248.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.0217  181.2972  249.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6787  182.5609  249.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.6783  182.7175  250.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.0866  181.8689  251.4345 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.0546  184.1576  250.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4191  185.0591  249.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9305  186.3467  249.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0066  186.7791  250.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.5874  185.9111  251.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.1288  184.5939  251.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3136  187.4644  248.4747 S   0  0  0  0  0  0  0  0  0  0  0  0
  226.8776  187.5062  248.6634 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.1128  188.6697  248.5722 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.6692  186.7120  246.9621 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.6720  187.6176  245.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9595  185.4580  246.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6036  185.5025  246.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8872  184.3278  246.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4907  183.0794  246.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8294  183.0368  246.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5743  184.2058  246.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8557  183.8885  247.2902 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.8731  184.8677  247.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7491  181.9593  246.0249 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.2336  181.1397  244.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2467  184.4683  245.6024 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 38  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
-53.18349310,178.54859234,4.17835382,-4.49460522,52.37134740,-160.53165436
78.09514118,117.44910902,-13.22421036,226.88123266,184.21023607,248.37141198
-2.74507060,-0.63705907,-0.66790708

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446898/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.57409

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.378947

>  <SCORE.INTRA>
-9.82591

>  <SCORE.INTRA.DIHEDRAL>
-3.0641

>  <SCORE.INTRA.DIHEDRAL.0>
11.5991

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.258577

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.120371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000144

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  194.3865  226.3454  265.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9934  225.2466  264.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0577  224.1749  264.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5508  223.0923  263.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5590  221.9335  263.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1886  221.4208  262.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2530  221.4684  264.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3432  220.4088  264.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1442  220.3570  263.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4454  219.0744  263.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9371  217.8771  264.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9244  218.1865  265.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6332  219.3700  265.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4404  217.0841  265.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5539  216.1300  266.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8796  214.8601  265.4516 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8287  214.9907  264.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7098  213.8010  263.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2856  213.5655  262.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1026  213.0428  261.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8881  213.8484  261.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1714  214.7848  262.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5838  215.8064  263.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8066  216.2312  263.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1870  212.8104  260.6177 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.1457  213.9833  259.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0055  213.9764  265.1211 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4960  213.1482  266.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2242  213.5469  267.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0934  211.7044  266.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4139  219.2230  262.6699 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1564  218.6155  262.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5837  221.5074  263.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1834  222.4875  264.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6621  214.3118  264.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 24  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 35  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
-179.80116067,-179.67100203,127.50031932,179.66596667,-47.86812830,-63.61301482
-137.62575173,86.29121201,-143.45486005,-77.24957152,191.87554128,217.67200669
263.72199051,-1.31220749,0.68300974,3.08567853

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446899/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.257144

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  188.3581  181.9037  262.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6776  183.3266  262.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9976  183.4172  263.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2557  182.3879  264.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4739  181.2315  264.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3789  181.0124  263.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7880  180.2355  265.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8982  180.3838  265.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
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  191.3689  182.5351  264.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8532  181.6964  266.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9051  182.4316  266.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0519  182.6615  267.0912 O   0  0  0  0  0  0  0  0  0  0  0  0
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  194.1489  181.2736  268.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9092  181.0632  268.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9868  180.4015  268.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3119  180.6863  270.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
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  195.7370  180.1073  272.5275 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
152.04763938,192.97486384,181.34039224,267.76330451,2.33169678,-0.49220669
-0.96768526

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446900/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.69037

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-0.709627

>  <SCORE.INTRA.DIHEDRAL>
-3.71697

>  <SCORE.INTRA.DIHEDRAL.0>
4.79967

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.14886

>  <SCORE.INTRA.VDW.0>
-0.899417

>  <SCORE.INTRA.norm>
-0.0322558

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.258653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000311

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  187.4489  216.4521  244.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2434  216.9035  245.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2839  217.9496  245.8416 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0380  219.1547  245.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4444  218.8325  246.1852 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.4782  217.3979  246.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5836  219.3511  245.2636 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.9975  219.0333  245.8645 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3037  217.5565  245.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3029  216.6460  246.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9107  217.0028  248.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5480  218.1068  248.6604 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9987  215.8919  249.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6413  216.0497  250.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6557  215.3138  246.6785 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0119  214.9180  245.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0585  219.6307  245.0948 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0255  221.0575  245.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0576  221.6482  244.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4465  220.9263  243.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4525  221.4059  242.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0863  222.6115  242.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7129  223.3375  243.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7077  222.8568  244.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4954  218.8137  243.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7559  219.6546  243.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3766  221.0096  242.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3264  221.2293  241.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8944  222.4971  241.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5255  223.5508  242.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5928  223.3430  243.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0288  222.0774  243.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8210  215.7430  246.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7 25  1  6  0  0  0
  8  9  1  6  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
177.50896675,68.27043844,92.48146872,-103.91838275,64.18580113,0.97831455
-0.84028507,-179.14844258,-173.92602075,29.37669068,64.00557551,87.25602516
190.49485641,219.20132074,245.11126752,1.98528577,0.18973790,2.42369429

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446901/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.6444

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.527273

>  <SCORE.INTRA>
-4.7556

>  <SCORE.INTRA.DIHEDRAL>
-1.57399

>  <SCORE.INTRA.DIHEDRAL.0>
8.27817

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0406365

>  <SCORE.INTRA.REPUL.0>
0.0242028

>  <SCORE.INTRA.VDW>
-4.17179

>  <SCORE.INTRA.VDW.0>
1.06836

>  <SCORE.INTRA.norm>
-0.144109

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.383164

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.089866

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  201.0429  200.2104  252.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9823  199.3202  251.7191 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3043  198.2237  250.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6175  197.0513  251.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8671  195.8528  250.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8604  195.8005  249.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5920  196.9513  249.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2646  198.1767  249.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7632  196.8479  248.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1171  196.5974  249.0789 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5188  197.7109  250.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2710  198.6335  249.7801 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9243  197.6528  251.2833 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0344  195.3049  249.8136 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6903  197.0543  252.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1464  198.3721  251.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6311  195.5037  250.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9892  195.0182  250.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6715  197.9718  252.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
142.88591382,0.39086933,-91.28049235,-60.16385309,-96.74391307,-85.82790186
-177.77032931,201.89544902,197.46686455,250.49051384,-2.83268484,-0.28449329
-2.67222640

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446902/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.04846

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-1.35154

>  <SCORE.INTRA.DIHEDRAL>
2.5464

>  <SCORE.INTRA.DIHEDRAL.0>
1.85846

>  <SCORE.INTRA.POLAR>
-0.161681

>  <SCORE.INTRA.POLAR.0>
-0.329322

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.07503

>  <SCORE.INTRA.VDW.0>
0.993757

>  <SCORE.INTRA.norm>
-0.0901028

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.603231

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000498

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  197.5227  212.9273  246.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9885  213.7700  245.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7367  215.1079  245.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0182  215.6094  247.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5520  214.7615  247.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8096  213.4110  247.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3333  212.6331  248.7206 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5373  211.4527  248.4135 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9342  216.3580  244.2817 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
-0.02464315,196.69381262,215.11356957,245.62614054,0.09338328,1.17755195
-2.46888759

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446903/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
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>  <SCORE.norm>
0.711094

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001817

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  191.6821  221.9261  258.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3815  221.8482  257.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6293  221.8474  256.8111 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5682  221.7837  255.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7554  222.0988  254.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8138  222.0944  253.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6849  221.7700  252.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5061  221.4167  253.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4504  221.4172  254.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7446  221.7826  251.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6798  221.4344  250.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1410  221.4763  248.7109 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.7147  222.0417  249.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8941  222.1521  250.4722 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6889  222.2663  248.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0138  222.3095  248.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6304  222.1071  249.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5242  223.0391  250.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0481  222.8682  251.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7097  221.7678  252.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8391  220.8271  251.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3006  220.9898  250.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2216  221.5715  253.6023 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5626  220.6451  254.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1410  222.5170  254.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1728  222.4592  246.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7446  222.6194  245.5506 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  3  0  0  0  0
M  END
>  <CHROM.1>
-179.88942817,165.52971097,178.00155849,-159.48105428,-127.19493773,162.46890612
194.41828362,221.86654198,251.98153966,1.79158520,0.03560711,1.60954008

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446904/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.07543

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-9.32457

>  <SCORE.INTRA.DIHEDRAL>
-23.1875

>  <SCORE.INTRA.DIHEDRAL.0>
33.2728

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.26917

>  <SCORE.INTRA.VDW.0>
0.162424

>  <SCORE.INTRA.norm>
-0.345354

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0768679

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000195

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  198.4652  217.5761  246.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5751  216.7515  247.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8780  216.9595  246.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7482  217.0346  249.1030 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.0591  218.5155  249.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4797  219.5578  249.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1996  218.4260  250.2043 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8684  219.2759  251.0986 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1304  218.2667  252.1954 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.5307  218.3152  253.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2724  217.1081  254.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7097  215.8813  253.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3114  215.8649  252.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3391  217.0407  251.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5285  217.0993  250.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8979  216.2270  249.7119 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8605  214.7078  251.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3679  214.8337  250.5321 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7278  213.5752  252.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1079  219.7450  250.3961 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9228  220.5743  249.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1841  221.0981  248.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0534  221.6725  249.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5311  220.5457  250.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4516  219.5491  250.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5535  216.6452  249.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1140  212.8437  251.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  1  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
-58.10942488,63.68045242,-179.93341345,179.67527323,201.84055199,217.79310387
250.39612284,2.19217574,0.67880417,2.44003193

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446905/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30222

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-2.09778

>  <SCORE.INTRA.DIHEDRAL>
-0.307837

>  <SCORE.INTRA.DIHEDRAL.0>
1.63919

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94386

>  <SCORE.INTRA.VDW.0>
1.3797

>  <SCORE.INTRA.norm>
-0.0806838

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.242393

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002246

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  185.9260  206.1816  259.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2965  206.2796  258.9908 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.4420  205.4551  257.6930 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.3734  205.9881  256.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7148  207.4107  256.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4829  208.2063  257.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8346  207.7080  258.6474 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.3722  207.4889  258.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8185  206.1813  258.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8115  205.6267  257.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2243  204.5539  256.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7175  205.0566  254.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6371  205.7140  253.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6969  206.7320  253.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4911  206.4022  254.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3577  208.7617  259.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0752  209.3711  256.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8798  209.7288  255.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0201  209.0115  254.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4288  207.8515  255.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5735  210.7613  254.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1376  211.1465  255.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
127.53193182,-67.26235675,-1.73752243,188.12707106,207.17533157,256.59652091
-2.38375625,1.09067355,-0.71017698

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446906/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.02542

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-2.37458

>  <SCORE.INTRA.DIHEDRAL>
0.0308161

>  <SCORE.INTRA.DIHEDRAL.0>
2.62176

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.38999

>  <SCORE.INTRA.VDW.0>
0.085163

>  <SCORE.INTRA.norm>
-0.113075

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.239306

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002882

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  211.7697  212.8846  251.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4789  211.0593  251.8541 Si  0  0  0  0  0  0  0  0  0  0  0  0
  212.4825  210.1059  253.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6395  210.6171  251.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2899  209.3670  251.1606 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0487  208.2254  251.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3756  207.2154  250.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2291  206.3153  250.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9710  207.0498  249.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2907  207.7459  250.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8371  209.1460  251.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1248  210.4598  250.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3305  209.9372  249.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1727  209.6221  248.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8867  209.9717  248.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2463  210.4793  249.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
150.18418304,93.02298437,57.30307788,210.60437047,209.49865347,250.70572716
0.50207200,0.56861964,0.86170940

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446907/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.76936

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-0.630643

>  <SCORE.INTRA.DIHEDRAL>
1.20766

>  <SCORE.INTRA.DIHEDRAL.0>
1.50803

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.23447

>  <SCORE.INTRA.VDW.0>
-1.32156

>  <SCORE.INTRA.norm>
-0.0394152

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.485585

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000397

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  196.0448  198.8788  262.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0871  199.7371  261.9033 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5305  200.5524  260.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5836  200.7852  259.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9133  201.6533  258.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1550  202.2902  258.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1177  201.9994  259.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7949  201.1364  260.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3013  203.1889  257.7311 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1905  203.2042  257.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9586  202.1307  257.5041 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.0059  204.0806  256.0257 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9911  205.0813  255.6029 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8200  206.4680  256.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9335  206.3015  258.1691 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.0117  207.7194  255.8690 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.1843  207.1577  256.0135 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.2976  204.4437  255.6649 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4894  203.2113  255.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6666  202.6823  254.3895 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6900  202.7166  255.4982 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8528  201.3074  255.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0986  200.5176  256.3228 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3023  199.0161  256.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0133  198.4813  256.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0001  199.4871  256.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6789  200.7453  256.2134 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0983  204.0891  255.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9837  204.7433  256.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 28  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
146.42811654,-0.89878333,-89.52806859,57.42441097,47.21338195,165.94429648
-76.89423131,-175.27729034,196.15887134,203.03037980,257.33084338,1.49078945
-1.04813853,2.62005892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446908/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.41578

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-5.98422

>  <SCORE.INTRA.DIHEDRAL>
-4.40859

>  <SCORE.INTRA.DIHEDRAL.0>
13.0054

>  <SCORE.INTRA.POLAR>
0.0602021

>  <SCORE.INTRA.POLAR.0>
-0.0602021

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.98462

>  <SCORE.INTRA.VDW.0>
-1.34427

>  <SCORE.INTRA.norm>
-0.221638

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.274658

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  197.1977  204.3511  249.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1224  203.9879  247.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0113  204.5330  246.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9681  205.4684  247.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0846  205.7636  248.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1939  205.2259  249.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7032  206.1521  246.2126 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2381  207.8188  245.7950 P   0  0  0  0  0  0  0  0  0  0  0  0
  200.1094  207.7424  244.5265 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6974  207.3342  245.4009 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6652  207.3096  246.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4717  206.7455  245.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4008  206.5694  246.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5207  206.9715  248.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6961  207.5779  248.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7666  207.7588  247.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7863  209.4387  245.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1565  210.2147  246.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0907  210.9902  245.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4014  211.8172  246.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7800  211.8752  248.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8578  211.1147  248.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5487  210.2906  247.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7015  206.0045  246.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
101.01171263,-165.50226020,90.81990179,-134.74254898,-173.49634175,-137.88753406
197.64480378,207.70795673,246.93918711,1.56122725,-0.52677701,2.97839340

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446909/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.78244

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-3.61756

>  <SCORE.INTRA.DIHEDRAL>
-1.66829

>  <SCORE.INTRA.DIHEDRAL.0>
6.89191

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.78341

>  <SCORE.INTRA.VDW.0>
-3.71774

>  <SCORE.INTRA.norm>
-0.157285

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.338367

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000424

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  191.6338  210.2303  254.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1168  209.9218  254.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9092  210.8288  253.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3926  210.5094  253.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1700  211.4119  252.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6484  211.0718  252.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4182  211.9300  251.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8629  211.4684  251.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6112  212.2817  250.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0149  211.7349  250.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6800  212.4466  248.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9578  212.1276  247.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3186  213.0389  246.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5584  212.7294  245.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6278  213.9603  244.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1901  211.5302  244.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0955  212.4233  245.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4576  212.6330  247.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0042  212.3453  247.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7825  211.4330  248.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3474  210.0221  248.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2248  209.2209  249.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1809  208.7930  250.2328 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9544  208.9749  249.9746 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8573  208.4631  250.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.25044339,179.42098283,-178.77261550,177.50784915,-172.84225395,177.12291913
-173.99447916,172.68023020,-64.73147953,116.57119606,-149.98295174,11.97469397
126.06392031,-66.27503095,174.08935708,-116.54567688,-179.76823219,198.15885588
211.33531056,249.57136072,2.36905865,0.20791157,1.70743639

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446910/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.5609

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.891667

>  <SCORE.INTRA>
-3.8391

>  <SCORE.INTRA.DIHEDRAL>
-0.62656

>  <SCORE.INTRA.DIHEDRAL.0>
4.34578

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.52582

>  <SCORE.INTRA.VDW.0>
0.249146

>  <SCORE.INTRA.norm>
-0.159962

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.731704

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007882

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  192.1015  218.2203  261.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9854  217.3484  259.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2271  216.2007  259.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3749  215.8287  258.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1447  216.6977  257.7966 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6192  217.5671  258.7584 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5719  218.4824  258.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2264  219.4756  258.9125 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2999  219.6990  258.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3279  218.7114  257.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9553  218.4893  256.9787 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2178  219.2258  255.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6944  219.1103  255.7833 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.9506  220.1239  254.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0263  221.4616  255.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5101  221.6470  256.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3983  222.0428  257.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9436  222.2986  258.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5912  222.1554  259.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7017  221.7320  258.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1588  221.4639  256.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0113  222.5076  260.8625 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.0838  222.2574  257.3656 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.4495  217.8018  255.2167 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2781  218.7779  256.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0406  217.8828  255.6923 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2902  220.0406  255.5280 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0497  221.1581  256.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0750  222.2750  255.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8936  220.9316  257.7024 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1091  221.3497  258.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7843  214.6568  257.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7133  217.1469  255.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7472  220.1928  254.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 30  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 24 33  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
1.26942529,-49.48136920,167.10171592,-64.39381171,66.25558884,-59.07427612
116.11379843,192.69640192,219.84665749,257.64875306,2.90979741,0.41749007
-0.06322540

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446911/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.6761

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-7.7239

>  <SCORE.INTRA.DIHEDRAL>
-1.90228

>  <SCORE.INTRA.DIHEDRAL.0>
7.0836

>  <SCORE.INTRA.POLAR>
-0.938915

>  <SCORE.INTRA.POLAR.0>
-0.0610855

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.58045

>  <SCORE.INTRA.VDW.0>
-1.87278

>  <SCORE.INTRA.norm>
-0.241372

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.114878

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  214.7628  188.7150  242.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3272  189.7434  241.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0337  190.7764  242.1359 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5867  191.7457  241.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8049  192.4905  240.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4058  193.2373  239.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7919  193.2918  239.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5811  192.6670  240.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9926  191.9010  241.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8260  191.2879  242.3341 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8847  191.8630  243.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6121  192.1848  244.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3482  193.3626  244.6777 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8199  191.0963  244.7363 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5952  191.1265  245.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9749  189.8996  245.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7645  189.8577  246.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1507  191.0305  246.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7559  192.2550  246.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9702  192.3028  245.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0267  188.3378  246.7175 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.8580  189.5697  242.3464 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.9618  189.0728  243.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7257  189.1351  240.9695 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5374  189.1618  242.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2063  190.1840  244.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.49430172,56.92792411,-75.45047720,49.56992022,-99.31062450,-113.46383202
-176.58867872,216.52629009,190.76913366,243.36966666,-2.52022231,0.67293848
-0.57773195

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446912/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.86512

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-6.53488

>  <SCORE.INTRA.DIHEDRAL>
1.53478

>  <SCORE.INTRA.DIHEDRAL.0>
5.44255

>  <SCORE.INTRA.POLAR>
-0.987596

>  <SCORE.INTRA.POLAR.0>
-0.0124041

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.94444

>  <SCORE.INTRA.VDW.0>
-1.78519

>  <SCORE.INTRA.norm>
-0.261395

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.234605

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  192.3483  216.6800  247.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6203  217.3862  248.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3685  217.9800  247.3406 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5989  218.7934  246.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2620  218.1016  246.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4337  217.5296  247.0900 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7572  218.5428  247.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9307  218.1262  249.1866 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4700  219.2863  250.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5905  219.9223  250.7969 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5659  220.5253  250.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2378  221.4916  249.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2168  222.0803  248.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5476  221.7000  248.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9403  220.7324  249.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2933  220.3171  249.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7015  219.3990  250.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7652  218.8893  251.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4124  219.2594  251.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9485  220.1625  250.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6738  222.5067  247.3342 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.7586  217.4396  248.6893 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7244  217.7541  247.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4946  218.2962  246.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8640  218.0276  246.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4543  217.2123  247.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6407  216.7162  248.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3250  216.9798  248.1752 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0584  216.6304  248.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 22 29  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-179.61727695,-54.97914671,170.12537501,-68.72649983,63.66788339,61.51464251
54.36405360,193.50932795,219.14233420,248.41552603,2.88767576,0.23403049
0.29797586

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446913/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36288

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.03712

>  <SCORE.INTRA.DIHEDRAL>
0.79621

>  <SCORE.INTRA.DIHEDRAL.0>
3.16342

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.43522

>  <SCORE.INTRA.VDW.0>
1.06938

>  <SCORE.INTRA.norm>
-0.179897

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.227246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000786

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  214.3221  191.0212  246.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5160  190.7821  247.4899 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.6252  189.9490  246.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3249  190.7401  245.8076 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8499  192.0079  246.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7282  192.8142  247.0167 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.0398  192.0230  248.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2875  194.0373  247.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3566  190.3044  244.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8353  189.2413  244.1544 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0518  191.2284  243.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2399  192.8503  243.3259 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.5694  192.3776  243.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1398  191.3073  242.5826 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8122  191.1986  242.8832 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4200  192.1755  243.6844 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5021  192.9627  243.8973 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4334  194.1519  244.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3180  194.4817  245.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4146  195.6129  246.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5583  196.4208  246.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6024  196.1395  245.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5407  195.0199  244.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7001  197.5425  247.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0183  193.7214  245.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-62.47901733,-45.53710295,-36.82309641,-169.46890050,215.59016642,192.75916903
245.25752423,-0.89667673,-0.84279113,0.85291018

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446923/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.8745

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-4.5255

>  <SCORE.INTRA.DIHEDRAL>
-2.66132

>  <SCORE.INTRA.DIHEDRAL.0>
6.49639

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.19484

>  <SCORE.INTRA.VDW.0>
-1.05311

>  <SCORE.INTRA.norm>
-0.18102

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.19498

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  206.4770  199.1285  246.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1728  199.4881  245.7806 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.1422  198.9496  246.6283 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7398  197.7547  247.2611 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1379  197.8022  247.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9789  197.0709  247.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9824  197.3195  249.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8001  196.6088  250.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6756  195.6266  249.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6298  195.3157  248.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7933  196.0195  247.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6161  194.8581  250.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6105  195.1297  251.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5344  193.7673  250.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3375  193.1258  250.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4966  192.1415  250.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0869  191.9073  252.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3863  191.3940  251.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9410  190.7348  253.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1245  190.0116  252.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7483  189.9550  251.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2693  190.7284  250.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1195  191.4851  250.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3948  192.2046  249.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9672  193.0077  248.9579 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0481  191.8336  249.6133 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0950  190.4725  249.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4445  190.4459  247.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1158  189.3601  247.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4377  188.2495  247.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0086  188.2004  249.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3119  189.2861  249.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0975  198.8795  244.4903 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2952  197.0040  246.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2405  199.1813  244.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <CHROM.1>
-179.90629900,83.24838504,-0.66295239,-179.62361829,172.17439393,167.26336450
210.88011614,193.71471074,249.21009653,-3.09590499,-0.75863733,1.22464659

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446925/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.67699

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-2.72301

>  <SCORE.INTRA.DIHEDRAL>
-3.10176

>  <SCORE.INTRA.DIHEDRAL.0>
4.61953

>  <SCORE.INTRA.POLAR>
0.0158955

>  <SCORE.INTRA.POLAR.0>
-0.0158955

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.22618

>  <SCORE.INTRA.VDW.0>
-1.39979

>  <SCORE.INTRA.norm>
-0.0825155

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.232636

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.052518

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  216.9160  194.8611  252.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8967  195.2989  251.4911 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3066  196.6453  251.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6542  196.8966  250.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5063  195.9256  249.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8797  196.1945  248.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7363  195.2376  248.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1246  195.5189  246.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0542  194.5927  246.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3804  194.6916  245.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3456  195.8214  244.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6483  195.7978  243.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0090  194.6324  242.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0200  193.5096  243.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7018  193.5387  244.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2942  194.5773  241.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9668  195.5934  241.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9563  193.2672  240.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6133  192.0840  241.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3372  190.8984  240.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4015  190.8999  239.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7214  192.0669  239.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9992  193.2541  239.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0622  189.3034  238.6888 Br  0  0  0  0  0  0  0  0  0  0  0  0
  209.6355  196.9268  242.6406 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.2759  195.2965  250.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3397  195.1832  249.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9382  194.1580  248.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-152.85437219,156.87275157,61.42482281,-179.92596784,-179.95410804,-179.93758824
-179.54569351,-179.78295441,-21.70800861,-18.05600727,-19.64053952,-118.66743933
210.94893682,193.70105284,244.33352322,-0.62349006,0.71795569,-2.71343195

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446926/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.0906

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.621429

>  <SCORE.INTRA>
-4.30942

>  <SCORE.INTRA.DIHEDRAL>
-1.68668

>  <SCORE.INTRA.DIHEDRAL.0>
6.59315

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.46608

>  <SCORE.INTRA.VDW.0>
4.14127

>  <SCORE.INTRA.norm>
-0.153908

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.467521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003727

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  187.2277  209.4057  256.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3079  210.5707  255.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4685  210.6063  254.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6949  211.7383  254.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6731  212.8017  255.4589 N   0  3  0  0  0  0  0  0  0  0  0  0
  185.4242  212.7227  256.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2692  211.6442  256.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9157  213.9686  255.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4057  215.0314  254.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2283  216.2827  254.2078 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.9978  215.3337  255.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8429  215.6954  255.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.5712  214.1508  255.4725 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.7323  213.3124  256.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7194  215.2610  253.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6214  214.4377  253.9024 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-90.58240953,-2.30939293,184.32600911,213.55609972,255.16852313,0.87413933
-0.29230968,2.67988086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446927/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.12878

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-2.27122

>  <SCORE.INTRA.DIHEDRAL>
-1.03253

>  <SCORE.INTRA.DIHEDRAL.0>
1.85046

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.75495

>  <SCORE.INTRA.VDW.0>
-0.28153

>  <SCORE.INTRA.norm>
-0.141951

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.320549

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001535

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  217.1102  182.8660  244.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0246  184.1430  244.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0588  184.3157  242.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1782  183.2144  241.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2200  181.9166  242.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1990  181.7610  243.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3020  180.7946  241.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3398  180.9352  240.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3262  182.2036  239.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2768  183.3406  240.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4586  184.6559  239.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3774  185.5638  240.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3930  185.2971  241.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8502  184.1968  241.5513 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8584  186.4168  241.8964 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9502  187.6452  241.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7821  188.4319  241.7673 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1571  187.8737  240.1937 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3101  186.9188  239.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5057  187.1543  238.7234 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2125  189.1684  239.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3639  190.3204  240.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4159  191.5856  239.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3539  191.6971  238.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2203  190.5555  237.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1305  189.2984  238.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4292  193.0207  237.7578 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.4903  194.0102  238.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4277  193.0694  236.5195 O   0  5  0  0  0  0  0  0  0  0  0  0
  220.5798  186.2353  242.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <CHROM.1>
48.40595957,-35.86608422,218.55606862,186.76959104,240.47189676,-2.14874289
-1.20948459,-0.93338069

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446928/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.51896

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.255172

>  <SCORE.INTRA>
-2.88104

>  <SCORE.INTRA.DIHEDRAL>
-8.20724

>  <SCORE.INTRA.DIHEDRAL.0>
20.4686

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.22258

>  <SCORE.INTRA.VDW.0>
-1.84915

>  <SCORE.INTRA.norm>
-0.0993461

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.155826

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000762

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  220.1963  182.2906  251.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0136  182.6272  252.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8162  183.9881  252.4975 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8208  184.6837  251.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0566  183.7062  251.2807 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.9717  186.0330  251.9876 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0268  186.7410  252.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8855  186.3340  253.1273 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1353  188.0912  252.5449 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9905  181.6988  252.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9953  181.7182  254.7229 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.4211  180.6190  255.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7714  181.3398  254.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8643  182.3605  256.0076 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6596  183.6524  255.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3397  184.3232  254.7465 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8989  185.6228  254.6031 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9099  185.9061  255.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4316  184.5906  256.4113 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.3141  187.1108  255.5026 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8652  186.6172  254.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.6516  185.3574  253.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.0943  188.4062  252.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.4871  188.6162  251.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.6816  182.0894  256.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.4222  187.7140  254.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.3452  187.5971  256.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <CHROM.1>
108.08078455,-1.04460980,116.95051163,-21.51887803,-80.09041159,83.80616821
62.59489616,-100.92672552,-58.10038661,21.16386725,219.63153438,184.07617666
253.87634930,-2.17189922,1.55108470,0.31075201

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446929/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.584082

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.77

>  <SCORE.INTRA>
-14.8159

>  <SCORE.INTRA.DIHEDRAL>
-7.98444

>  <SCORE.INTRA.DIHEDRAL.0>
12.7257

>  <SCORE.INTRA.POLAR>
-1.56384

>  <SCORE.INTRA.POLAR.0>
-0.643996

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.50665

>  <SCORE.INTRA.VDW.0>
-1.17872

>  <SCORE.INTRA.norm>
-0.740796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.0292041

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  215.1308  199.6342  243.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8928  198.9720  243.5418 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7959  199.7257  243.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4267  199.0818  243.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1706  198.8635  244.7367 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8492  200.0659  245.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9427  200.6724  246.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1193  200.3212  246.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5540  201.5609  247.4570 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2190  202.1690  247.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5428  202.8508  246.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3298  203.9922  245.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2755  205.3019  246.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2168  206.0130  245.6599 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8752  205.1885  244.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9193  205.4731  243.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4035  204.4206  243.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8647  203.1406  243.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8263  202.8747  244.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3244  203.9184  244.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6350  202.1856  248.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3063  203.3599  247.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1939  203.1192  246.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9227  204.1507  245.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7802  205.4700  246.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8702  205.7288  247.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1357  204.6834  247.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5562  206.4252  245.7562 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0248  207.5062  246.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8279  203.9317  244.8872 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7710  202.8858  245.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2027  197.5472  245.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5288  196.6382  244.4124 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7953  197.3158  246.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5478  197.8201  247.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9049  197.5261  247.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6057  198.0216  248.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9536  198.8024  249.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6027  199.1018  249.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9170  198.6287  248.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6095  198.9036  248.3972 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.4213  206.9915  245.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3918  196.4056  246.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 43  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <CHROM.1>
-178.33294736,56.28178665,74.49258551,-103.39123828,14.07069451,-49.70426702
79.49514406,-60.41483850,-87.24518970,-74.45441676,-48.58134514,-146.04922768
-66.33093228,-55.92974656,212.58907913,201.75608073,246.03660020,-2.18482120
1.00067254,0.39561154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446930/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30813

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.473171

>  <SCORE.INTRA>
-13.0919

>  <SCORE.INTRA.DIHEDRAL>
3.49593

>  <SCORE.INTRA.DIHEDRAL.0>
9.94104

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.000416828

>  <SCORE.INTRA.REPUL.0>
0.000416828

>  <SCORE.INTRA.VDW>
-14.8378

>  <SCORE.INTRA.VDW.0>
1.03153

>  <SCORE.INTRA.norm>
-0.319314

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.153857

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000990

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  190.3395  208.4636  244.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5242  209.0778  244.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1250  210.0705  244.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5038  210.4501  246.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3239  209.8299  246.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7418  208.8330  245.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5383  210.3180  248.0976 Br  0  0  0  0  0  0  0  0  0  0  0  0
  193.4887  210.6314  244.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5196  210.5714  245.5567 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0011  209.1685  245.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0804  208.2437  246.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7818  208.9299  248.1475 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.6535  211.4679  245.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6326  211.7918  246.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7632  212.5398  247.7025 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-125.10781295,73.91770664,-79.33388163,165.38470648,-56.34583014,-57.57331146
192.51845036,210.19696044,246.69375245,-3.13328556,0.25428790,1.10970780

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446931/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.94367

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-2.45633

>  <SCORE.INTRA.DIHEDRAL>
1.10159

>  <SCORE.INTRA.DIHEDRAL.0>
0.863017

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.00712

>  <SCORE.INTRA.VDW.0>
0.268717

>  <SCORE.INTRA.norm>
-0.163755

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.596245

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  203.4185  223.0060  250.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3863  221.5724  251.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7729  220.3973  250.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5007  219.2387  251.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9498  219.5922  252.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7658  221.2683  252.9084 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.5680  218.7669  253.7525 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7096  217.5098  253.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2259  216.9834  252.3287 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7126  217.8110  251.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2854  217.3470  250.3268 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2750  215.5387  252.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4260  215.0989  250.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0644  215.4307  250.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3052  215.1210  249.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8915  214.4695  248.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2451  214.1155  248.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0040  214.4257  249.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0509  214.2530  247.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8817  214.5950  247.4277 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6797  213.6206  246.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3289  220.4141  249.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1557  219.3240  248.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7011  219.3222  247.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3661  220.4477  246.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5274  221.5548  247.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0447  221.5191  248.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0523  220.4733  244.9261 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.1414  213.4630  245.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 29  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-150.70362044,117.77605500,-56.19751773,-1.54607721,179.43907059,203.40809792
218.42118837,249.25496781,-0.11510821,1.01741399,1.11097511

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446932/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86856

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-2.53144

>  <SCORE.INTRA.DIHEDRAL>
-6.54417

>  <SCORE.INTRA.DIHEDRAL.0>
12.5156

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.740645

>  <SCORE.INTRA.VDW.0>
-1.69752

>  <SCORE.INTRA.norm>
-0.0904085

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.245306

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000814

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  214.6069  187.8867  251.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5607  188.5462  252.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9252  189.7691  252.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1671  190.7355  251.7512 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6348  192.1993  251.5562 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9353  192.2248  250.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6035  191.9015  249.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5383  191.0111  249.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8508  190.2591  250.2466 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3133  188.8160  249.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3754  190.6921  250.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2832  192.2436  250.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5063  192.9494  250.9144 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5975  194.3997  250.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2591  195.0008  249.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5728  194.6800  248.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6336  196.1657  247.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9526  196.4965  249.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0865  190.8418  247.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7020  191.5031  246.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8029  192.3037  246.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2657  192.4966  248.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2215  191.4029  245.3876 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9501  190.8601  252.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4510  190.8098  245.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.5245  189.9809  252.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  1  0  0  0
  5 13  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7 22  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-65.11869505,91.71885675,59.62000404,-1.27391059,214.27028193,191.88710026
249.73803006,-1.40982455,1.33029743,-0.73132388

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446933/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.33856

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-5.06144

>  <SCORE.INTRA.DIHEDRAL>
-4.394

>  <SCORE.INTRA.DIHEDRAL.0>
6.82881

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.86444

>  <SCORE.INTRA.VDW.0>
1.36205

>  <SCORE.INTRA.norm>
-0.210893

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.09744

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000990

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  206.1995  204.3134  256.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4869  204.2135  255.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5186  205.0570  255.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9227  204.9343  253.6828 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4716  203.7872  252.9727 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0339  203.3907  251.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1566  203.9202  251.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7768  202.1675  251.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6086  201.5951  250.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2414  200.3368  249.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1503  199.9377  248.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7094  198.7165  247.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3674  197.8937  248.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4580  198.2971  250.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8947  199.5112  250.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5930  198.2916  246.5365 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.9937  199.0434  245.7534 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1009  197.2071  246.2184 O   0  5  0  0  0  0  0  0  0  0  0  0
  205.8206  201.6351  252.5531 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.3962  202.9835  253.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9143  203.1461  254.7272 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1657  206.1737  252.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2177  206.9650  252.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5066  208.1983  251.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8139  208.6761  251.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0529  209.8832  250.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9857  210.6337  250.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6803  210.1760  250.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4416  208.9667  251.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0265  206.1598  255.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5808  206.5495  256.9515 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8544  206.6454  255.4529 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2756  207.7195  256.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 21  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  6  0  0  0
  5 20  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <CHROM.1>
13.82701609,-119.74017750,-170.71146541,-2.49726439,-179.77995028,204.68614816
203.73561426,251.80389943,-2.30898119,1.30071832,-1.85919813

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446934/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.92451

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-7.47549

>  <SCORE.INTRA.DIHEDRAL>
-19.2976

>  <SCORE.INTRA.DIHEDRAL.0>
20.5448

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.17331

>  <SCORE.INTRA.VDW.0>
0.375401

>  <SCORE.INTRA.norm>
-0.22653

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0886216

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000655

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  198.8812  199.8319  244.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8846  201.3391  243.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5210  202.0088  244.0966 N   0  3  1  0  0  0  0  0  0  0  0  0
  196.9205  201.7344  243.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7508  201.5653  245.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8563  200.0424  245.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3006  199.5770  245.5830 N   0  3  2  0  0  0  0  0  0  0  0  0
  198.3054  198.5513  245.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1116  200.1018  246.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5331  199.6904  246.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5500  200.5523  246.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9442  200.1271  246.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9264  201.0943  246.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2507  200.7146  245.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5954  199.3647  245.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6244  198.3947  246.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3021  198.7710  246.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5985  203.5795  243.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6460  204.1563  244.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9778  204.3520  244.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9385  204.8272  245.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5857  205.0904  246.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2817  204.9207  247.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3147  204.4742  246.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5182  205.5035  247.6209 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.7271  204.0948  242.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8765  205.1244  242.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0345  205.6869  240.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9985  205.1795  239.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7754  204.0968  240.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6319  203.5442  241.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1718  205.7259  238.7269 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  2   3   1   7   1
M  END
>  <CHROM.1>
-55.90801460,-51.15127481,114.37661838,176.58719479,91.77839701,130.67645520
199.83045525,202.48552258,244.57589611,0.83036480,0.42353494,2.69636563

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446935/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.66533

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-2.73467

>  <SCORE.INTRA.DIHEDRAL>
-4.25246

>  <SCORE.INTRA.DIHEDRAL.0>
6.31409

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.60844

>  <SCORE.INTRA.VDW.0>
-2.43211

>  <SCORE.INTRA.norm>
-0.0911557

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.288844

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002920

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  183.1935  220.7253  252.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5768  220.8779  252.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7221  219.9059  253.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9309  219.9467  254.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8095  220.7465  254.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9501  218.9887  255.5649 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.9598  218.7745  256.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8471  217.7348  257.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9120  217.5140  258.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0593  218.3148  258.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1289  219.3782  257.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0917  219.6023  256.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2119  218.0456  259.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6822  216.7919  257.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1464  218.3820  255.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-179.92489941,0.99013302,-179.52167590,186.71313443,219.12959849,256.00583821
2.29898439,-0.43614645,-0.77261979

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446936/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1149

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.2851

>  <SCORE.INTRA.DIHEDRAL>
-4.17791

>  <SCORE.INTRA.DIHEDRAL.0>
4.18394

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.196144

>  <SCORE.INTRA.VDW.0>
1.38679

>  <SCORE.INTRA.norm>
-0.163221

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.436779

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001141

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  186.2095  207.2940  249.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3770  205.7604  249.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3740  204.8356  248.6782 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.0817  203.3884  249.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3668  202.4592  248.1188 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7407  202.4543  247.8002 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.2044  203.7329  247.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0357  204.8220  248.3540 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.0879  204.4429  249.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5384  204.4659  248.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9449  205.8449  248.5513 N   0  3  1  0  0  0  0  0  0  0  0  0
  192.8829  205.7908  248.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0614  206.3006  247.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5363  206.0487  247.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1079  206.8591  249.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2596  206.5421  250.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6876  206.7063  250.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1300  205.5617  249.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4911  205.3029  248.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3331  204.7429  249.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0676  205.0199  250.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1805  204.2588  251.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5480  203.1942  250.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8260  202.8914  249.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7070  203.6733  248.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6124  202.4479  250.6133 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.9988  201.4799  246.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  6  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  1  11   1
M  END
>  <CHROM.1>
-179.27203937,65.40747822,70.78186345,-77.50129030,58.30311624,-0.49788978
192.20616424,204.60881775,249.04013267,3.14137974,0.17124408,-2.82636445

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446937/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.14299

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-5.25701

>  <SCORE.INTRA.DIHEDRAL>
-0.872268

>  <SCORE.INTRA.DIHEDRAL.0>
5.43721

>  <SCORE.INTRA.POLAR>
-1.49992

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.278859

>  <SCORE.INTRA.VDW.0>
-1.22331

>  <SCORE.INTRA.norm>
-0.202193

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.236269

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012748

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 48  0  0  0  0  0  0  0  0999 V2000
  183.9884  211.3912  258.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4200  210.2881  259.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5701  210.1827  259.5043 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3994  209.4276  259.4380 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.5983  208.3542  260.4110 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.6828  207.1593  260.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3772  207.5487  260.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7681  208.3630  261.9239 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.1657  208.7652  261.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9351  208.8678  262.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3602  209.6185  263.7673 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.4629  208.4769  262.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.7901  207.7867  263.9998 C   0  0  2  0  0  0  0  0  0  0  0  0
  178.7119  208.7284  265.2288 C   0  0  1  0  0  0  0  0  0  0  0  0
  177.9307  208.0976  266.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5085  206.7351  266.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4490  205.7556  265.5616 C   0  0  1  0  0  0  0  0  0  0  0  0
  179.2275  206.2864  264.2932 C   0  0  1  0  0  0  0  0  0  0  0  0
  178.8043  205.3753  263.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0529  203.8850  263.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3943  203.3936  264.6608 C   0  0  1  0  0  0  0  0  0  0  0  0
  178.7332  204.2434  265.9316 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.1929  203.9421  266.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8872  203.7798  267.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4905  203.9842  267.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.9724  203.4231  264.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.5344  202.4039  263.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.2786  201.5261  263.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
  175.2073  202.5516  263.3041 N   0  0  0  0  0  0  0  0  0  0  0  0
  174.4257  201.6031  262.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.1030  201.8807  262.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.3422  200.9436  261.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.8847  199.7045  261.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.1905  199.3792  261.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.9411  200.3333  262.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.8252  198.0526  261.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.1740  197.3314  262.3796 F   0  0  0  0  0  0  0  0  0  0  0  0
  174.0055  197.2446  260.5494 F   0  0  0  0  0  0  0  0  0  0  0  0
  175.9654  198.1866  260.5447 F   0  0  0  0  0  0  0  0  0  0  0  0
  180.7562  206.1714  264.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9466  209.1460  265.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4511  209.6989  259.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
  176.1884  203.6095  266.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  174.8015  203.4469  263.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.4474  209.6888  265.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 42  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  1  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  6  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 41 45  1  0  0  0  0
M  END
>  <CHROM.1>
-150.67784782,123.76933748,65.46015076,64.11299285,75.84111035,54.09278770
51.14243888,1.03504856,-175.10622694,-117.96725657,178.56376996,204.79159193
262.95211187,-0.33389309,-0.83817267,-2.07750909

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446954/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.65407

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.326829

>  <SCORE.INTRA>
-9.74593

>  <SCORE.INTRA.DIHEDRAL>
-13.3581

>  <SCORE.INTRA.DIHEDRAL.0>
20.2434

>  <SCORE.INTRA.POLAR>
-0.704515

>  <SCORE.INTRA.POLAR.0>
-0.702884

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.671506

>  <SCORE.INTRA.VDW.0>
-1.93998

>  <SCORE.INTRA.norm>
-0.237706

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.0891236

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003849

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  198.5968  209.2494  244.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1126  209.6173  244.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3348  209.1015  245.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5881  207.6041  246.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1047  207.4000  246.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8237  207.7788  245.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8125  207.0278  247.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8513  205.4874  247.5220 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.0743  204.9024  248.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2081  203.4125  248.7266 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.3695  202.7568  248.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1495  202.9389  249.3768 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.4947  204.8329  246.2579 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4450  204.3990  245.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6418  204.5838  245.5198 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8532  203.7919  244.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7403  203.4663  243.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4464  204.6465  242.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8347  204.5641  242.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5525  205.6559  241.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8960  206.8486  241.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5191  206.9489  241.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7980  205.8547  242.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5579  204.4963  246.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <CHROM.1>
170.51054169,-179.44256958,-179.98183585,95.98216983,-89.49928722,171.45363793
-60.34720547,132.13746609,196.87607621,205.72530230,245.31617131,0.01944808
1.12910645,0.49768058

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446955/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.68105

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-6.71895

>  <SCORE.INTRA.DIHEDRAL>
-8.48439

>  <SCORE.INTRA.DIHEDRAL.0>
14.2451

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.47675

>  <SCORE.INTRA.VDW.0>
-1.83579

>  <SCORE.INTRA.norm>
-0.292128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.290481

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010413

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  192.8237  208.7435  248.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1077  209.3598  248.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2428  209.4349  249.1735 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8009  208.0602  249.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4296  207.0698  248.9145 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7410  208.0567  250.5655 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4165  206.9219  251.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2409  207.0839  252.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8993  205.9832  252.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7515  204.7113  252.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9531  204.5530  251.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3011  205.6534  250.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5122  203.5730  252.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2722  203.6807  253.7241 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3120  202.4599  252.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0238  201.2911  252.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6776  200.1665  251.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5537  210.5160  248.4865 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.3573  210.9932  249.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7615  210.7044  251.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3729  211.1560  252.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5518  211.8818  252.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0877  212.1227  250.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4993  211.6864  249.8498 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3444  212.9210  250.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7221  210.8672  253.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8061  208.9067  251.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
69.26761115,7.77804474,157.68670923,-174.11372524,-0.37529527,177.85824499
-179.62332352,-10.99536800,197.58734637,207.75581810,250.89726375,1.93365698
-0.66992221,-0.02252816

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446956/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.43013

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-4.96987

>  <SCORE.INTRA.DIHEDRAL>
-4.64628

>  <SCORE.INTRA.DIHEDRAL.0>
8.70792

>  <SCORE.INTRA.POLAR>
-0.959218

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.614613

>  <SCORE.INTRA.VDW.0>
-1.11659

>  <SCORE.INTRA.norm>
-0.191149

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.324236

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 37  0  0  0  0  0  0  0  0999 V2000
  192.4903  205.6359  259.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3002  205.4148  258.2525 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6920  205.5395  257.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7544  205.4499  256.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7522  206.3705  255.3158 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.3940  206.4395  256.1275 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3887  206.4986  257.6663 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9946  206.0798  258.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9658  204.5720  257.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4435  204.1141  258.0644 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8216  203.3514  256.9271 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4659  207.5307  255.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9858  207.0281  254.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1943  206.9019  253.3700 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3986  205.9767  253.7572 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4119  206.2922  252.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8682  207.2129  251.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4770  208.1902  250.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8290  209.4925  250.8470 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4356  209.5251  252.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7628  208.3789  252.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8042  208.2780  253.3661 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8884  209.3771  251.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5986  209.7851  250.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0027  209.8448  250.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6966  209.5030  251.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0276  209.0717  253.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6447  208.9805  253.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0298  209.6089  252.0064 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.2546  204.4379  253.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7353  203.0383  257.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4608  210.3305  250.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  6  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  6  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
63.17052974,28.31523518,193.15296224,207.13551039,254.35248206,-2.14550066
-0.21779181,-1.10616447

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446957/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.55495

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.213333

>  <SCORE.INTRA>
-4.84505

>  <SCORE.INTRA.DIHEDRAL>
-6.93694

>  <SCORE.INTRA.DIHEDRAL.0>
7.54295

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.37658

>  <SCORE.INTRA.VDW.0>
0.123749

>  <SCORE.INTRA.norm>
-0.161502

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0518317

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000433

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 40  0  0  0  0  0  0  0  0999 V2000
  201.5129  202.0884  253.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7937  202.7887  254.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2866  202.5216  254.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1927  201.9705  256.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0945  204.3334  255.1103 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8563  204.7738  255.3184 P   0  0  2  0  0  0  0  0  0  0  0  0
  202.9088  206.2107  254.4947 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4393  205.1896  253.4344 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.3662  205.5507  252.0244 P   0  0  1  0  0  0  0  0  0  0  0  0
  201.7373  204.0635  250.9595 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.0645  206.5458  252.8670 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.6136  206.8370  254.3189 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2369  205.7957  254.3616 P   0  0  2  0  0  0  0  0  0  0  0  0
  201.5745  208.3247  254.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6676  208.8259  255.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5866  210.2135  256.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4488  211.1164  255.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4270  210.6368  254.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4990  209.2619  254.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1211  207.5522  252.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4695  206.8192  250.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9239  208.1917  252.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8842  208.7532  251.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1763  206.5094  250.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7192  207.5025  250.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4445  208.7432  250.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7329  209.3477  249.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2547  210.6444  249.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4837  211.3524  250.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1843  210.7639  251.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6676  209.4628  251.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8768  204.5658  253.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8207  203.0162  253.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5629  204.9266  251.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8439  205.0339  254.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  2  1  6  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  3  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <CHROM.1>
-56.13174725,68.84679350,-63.69250198,52.24240077,-124.34206086,177.97709283
202.36128811,206.55319035,253.06225475,-2.02861551,0.76080755,-0.13930736

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446958/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.88321

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325714

>  <SCORE.INTRA>
-1.51679

>  <SCORE.INTRA.DIHEDRAL>
-1.22943

>  <SCORE.INTRA.DIHEDRAL.0>
8.13558

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.902078

>  <SCORE.INTRA.VDW.0>
-6.21023

>  <SCORE.INTRA.norm>
-0.043337

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.282377

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  193.5401  205.8090  241.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1473  206.2684  242.2866 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.8537  207.0687  240.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2258  207.6836  241.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2766  208.7826  242.1524 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7088  209.3129  242.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6917  208.8947  241.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7514  210.3587  243.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0439  210.9656  243.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8562  212.1488  244.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2825  213.2582  243.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0536  211.8942  245.4438 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9797  210.6048  246.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1573  209.8532  246.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1379  208.6282  246.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9399  208.1280  247.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7644  208.8610  247.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7833  210.1036  246.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2686  211.0205  246.4765 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.9760  212.6532  246.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1990  213.6719  247.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6996  214.9665  247.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9722  215.2511  246.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7381  214.2455  246.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2590  212.9301  246.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3779  209.8940  241.7927 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7897  210.6746  242.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9005  210.2677  243.5021 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2713  212.0764  242.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5907  212.9212  243.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9473  214.2648  243.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9868  214.7710  243.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6706  213.9364  242.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3169  212.5897  242.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4856  210.2843  240.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
175.82601767,-60.69568720,-179.97889495,-2.00827341,151.09178280,-176.25384335
177.18230166,-128.69047328,-70.67615975,173.61254019,197.41894151,210.78740184
244.20710652,2.07404173,0.99626856,-3.01060140

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446959/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.94407

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-10.4559

>  <SCORE.INTRA.DIHEDRAL>
-9.8961

>  <SCORE.INTRA.DIHEDRAL.0>
13.4583

>  <SCORE.INTRA.POLAR>
0.156879

>  <SCORE.INTRA.POLAR.0>
-0.156879

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.04127

>  <SCORE.INTRA.VDW.0>
-1.70143

>  <SCORE.INTRA.norm>
-0.307527

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.145414

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003699

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  199.3618  185.1635  247.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2620  184.7647  248.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7059  184.8594  248.5926 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5318  185.1489  249.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5749  186.6068  250.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1402  183.6719  247.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5242  183.8018  247.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6946  185.0517  246.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8969  185.2482  245.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1036  184.4179  244.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9775  186.6654  244.8579 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.3717  187.1603  244.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2341  186.6583  243.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4742  187.2813  243.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8297  188.3868  244.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9489  188.8952  245.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7172  188.2810  245.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6196  188.5882  246.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5773  187.6683  245.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4015  187.7071  246.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2416  188.7110  247.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3070  189.5952  247.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4917  189.5553  247.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1337  188.6871  248.4926 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0439  187.8248  249.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2631  188.9600  248.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  1  0  0  0
 11 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
150.65106935,-79.64940727,165.43543964,-46.75992403,-65.39665343,-2.92988958
56.16471923,55.96880786,202.92888529,186.68976591,246.64502183,-2.87854349
0.79675373,0.13320580

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446960/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.91476

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-6.48524

>  <SCORE.INTRA.DIHEDRAL>
-1.60604

>  <SCORE.INTRA.DIHEDRAL.0>
6.00631

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.68221

>  <SCORE.INTRA.VDW.0>
3.00065

>  <SCORE.INTRA.norm>
-0.270218

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.288115

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010511

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  211.0217  195.0624  241.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5112  194.4053  240.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9835  194.4099  240.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4044  193.7450  241.4662 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8337  194.4247  242.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3582  194.4354  242.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9244  193.7040  241.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2705  192.6938  242.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7332  191.3376  242.1613 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7268  190.7744  242.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2421  191.3309  243.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1069  189.4375  242.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9600  188.5902  243.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0510  187.4337  242.4502 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2490  187.6307  241.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6481  188.8100  241.3385 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1470  186.5311  240.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3241  186.6863  238.9543 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.8594  188.2064  238.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0659  188.3134  237.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7655  189.6301  237.0526 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3737  190.3288  237.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1243  189.4603  238.7995 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9906  189.7981  239.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9121  191.0544  240.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7457  191.3734  241.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6406  190.4312  242.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7295  189.1658  241.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9221  188.8744  240.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6550  188.1057  242.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3401  188.5004  243.1500 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.9789  186.9790  242.4059 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.5932  187.7054  241.1414 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.3473  191.8309  238.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9723  192.4523  238.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9082  191.7618  238.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6814  192.3935  239.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4905  193.7126  238.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5166  194.3924  237.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7450  193.7640  237.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5045  190.8694  241.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <CHROM.1>
163.33591299,-57.61390266,97.62244676,-172.37571251,-93.38998082,-60.87840535
-97.19886589,62.47880257,-165.26399156,1.38492220,24.76742490,208.99351935
190.54825050,240.63760015,-2.44273949,0.71531273,-2.74894954

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446961/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.59664

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41

>  <SCORE.INTRA>
-8.80336

>  <SCORE.INTRA.DIHEDRAL>
0.610453

>  <SCORE.INTRA.DIHEDRAL.0>
9.63779

>  <SCORE.INTRA.POLAR>
-0.00343975

>  <SCORE.INTRA.POLAR.0>
-0.0634579

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.09689

>  <SCORE.INTRA.VDW.0>
-3.8573

>  <SCORE.INTRA.norm>
-0.220084

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.189916

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  224.1297  187.7534  239.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9583  186.8811  239.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6910  187.7199  239.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5502  186.8500  240.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7413  186.3053  239.4336 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6758  185.5497  239.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3981  185.2866  241.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2658  185.8526  242.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3071  186.6221  241.6889 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0800  185.6702  243.4931 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1593  184.4804  241.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8901  185.1527  241.1020 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.2668  184.7005  239.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1015  185.2928  239.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5510  186.3657  240.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1688  186.8347  241.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3455  186.2254  241.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9278  186.8402  243.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3394  185.0721  243.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.7113  186.1426  244.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
179.76785443,-90.52203396,-64.17984587,102.56830740,218.19838817,186.14832173
240.88243623,0.12230882,-0.16638887,-1.52163097

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446970/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.83573

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.564269

>  <SCORE.INTRA.DIHEDRAL>
0.00172172

>  <SCORE.INTRA.DIHEDRAL.0>
2.56837

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.565129

>  <SCORE.INTRA.VDW.0>
-1.44375

>  <SCORE.INTRA.norm>
-0.0313483

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.490874

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000145

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  214.2582  184.2802  245.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6522  185.5152  246.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5027  186.6236  245.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8957  187.8643  245.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7495  188.9686  244.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1419  190.2054  245.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9973  191.3099  244.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3884  192.5388  245.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2489  193.6394  244.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1293  194.5836  243.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
M  END
>  <CHROM.1>
179.99305063,179.98475558,179.94630449,179.92985987,179.87875849,179.92429560
-104.72105493,212.53738289,189.41819288,245.00309838,-0.76846395,1.15586376
-0.97030685

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446971/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.4

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.24

>  <SCORE.INTRA>
3.71932e-05

>  <SCORE.INTRA.DIHEDRAL>
7.59893e-05

>  <SCORE.INTRA.DIHEDRAL.0>
4.12587e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.01408e-07

>  <SCORE.INTRA.VDW.0>
-0.951053

>  <SCORE.INTRA.norm>
3.71932e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.24

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020293

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  208.3778  181.6112  246.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7361  180.9117  246.7961 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.7556  182.0012  247.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4015  181.8070  248.4465 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5442  182.8339  248.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1429  183.4759  249.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0898  183.8498  250.5758 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3128  182.5827  251.0531 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.5012  182.0030  249.7690 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.7483  180.6979  250.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2007  179.8566  249.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1455  179.8606  247.8566 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.6062  180.2868  248.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1726  178.5657  247.2709 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3514  183.0356  252.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1036  183.7250  253.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7208  185.0317  252.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6445  184.8838  251.6396 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6530  186.2812  250.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0753  184.5213  252.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0796  185.1631  251.8961 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1930  183.3489  252.7978 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2065  181.4674  251.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2737  178.3605  246.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0891  183.0873  253.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 23  1  1  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
-61.77588098,112.25652231,177.94718482,211.53602801,182.50033963,250.03304492
-2.27255977,0.75341264,1.33531056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446972/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.27719

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-3.12281

>  <SCORE.INTRA.DIHEDRAL>
-2.43774

>  <SCORE.INTRA.DIHEDRAL.0>
2.61504

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.90394

>  <SCORE.INTRA.VDW.0>
1.71539

>  <SCORE.INTRA.norm>
-0.135774

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.142486

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002784

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  201.0437  213.4216  252.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6643  213.3381  252.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0263  212.1014  252.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7641  211.9338  252.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2033  212.7207  253.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1751  210.6221  252.4986 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.0795  210.1739  253.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4655  210.8157  250.8212 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.7897  211.6437  249.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5607  212.8653  249.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6149  213.5395  249.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8497  213.0612  248.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1486  211.6878  249.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2811  211.2241  249.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0315  210.9998  249.8878 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2287  209.6275  250.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3029  209.2429  251.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4637  207.9048  251.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5550  206.9548  250.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4822  207.3166  250.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3102  208.6556  249.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7109  205.6726  251.3131 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.9797  214.1172  248.1942 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.6377  215.2460  247.6405 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.4511  214.9491  248.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3058  214.9552  246.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 25  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  6  0  0  0
M  END
>  <CHROM.1>
-178.68596140,-4.11422004,156.73338326,48.39176690,-113.54208763,-131.94110504
198.95297832,211.41937367,250.44290098,1.30307877,0.91945936,-0.26055030

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446973/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.23181

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-3.16819

>  <SCORE.INTRA.DIHEDRAL>
-3.84152

>  <SCORE.INTRA.DIHEDRAL.0>
14.3763

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.24743

>  <SCORE.INTRA.VDW.0>
-2.0939

>  <SCORE.INTRA.norm>
-0.121854

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.316608

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000128

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  180.3237  217.8383  270.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4735  217.3689  269.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0774  216.2463  268.4327 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0667  215.7530  267.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9419  216.5516  266.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9316  215.9787  266.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0424  214.5873  265.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1575  213.7804  266.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1791  214.3625  267.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9201  214.0484  265.0044 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.3660  213.3234  263.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5750  213.7300  263.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8033  211.8995  264.0785 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.6921  211.4522  262.9498 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.5914  210.4937  263.6179 N   0  0  2  0  0  0  0  0  0  0  0  0
  186.0593  209.1859  264.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1169  208.7915  265.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2917  210.0709  265.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9478  211.1514  264.8858 N   0  0  2  0  0  0  0  0  0  0  0  0
  185.7523  211.9108  265.2805 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.0444  213.3851  265.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0441  213.8853  265.9631 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1762  211.0851  261.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8618  211.6586  260.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2860  211.7196  259.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0299  211.1732  258.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3636  210.5228  260.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9365  210.4796  261.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5323  211.4321  257.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6630  210.4584  257.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  6  0  0  0
 13 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.84845770,-41.96911457,-115.26904607,132.30195041,150.01037680,184.35501237
212.82658039,264.15415191,1.91051466,-0.70102931,1.18789059

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446974/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48612

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-1.91388

>  <SCORE.INTRA.DIHEDRAL>
1.86045

>  <SCORE.INTRA.DIHEDRAL.0>
2.62406

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.84411

>  <SCORE.INTRA.VDW.0>
2.40791

>  <SCORE.INTRA.norm>
-0.0637962

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.282871

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  200.6388  213.2351  260.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3590  213.0439  260.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3302  212.8693  258.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4065  211.9244  258.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2504  211.6681  256.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0182  212.3478  255.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9428  213.2975  256.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1030  213.5559  257.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8483  212.1907  254.5992 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0584  212.9549  253.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5743  213.7120  252.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5482  212.8612  253.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0579  213.2546  255.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1503  212.7206  255.9187 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7610  214.3295  255.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3300  214.6980  257.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3150  215.3910  257.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0966  216.1634  257.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3556  215.2428  259.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2903  216.0144  259.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3624  215.9450  261.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5006  215.0994  261.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5714  214.3210  261.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4987  214.3878  259.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9619  211.2139  254.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3540  214.9854  257.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
141.17738422,92.99196021,115.32722413,59.29532504,-141.29251461,-178.92503426
156.68582970,34.61728460,-175.57932136,197.95930778,213.79993456,257.57978645
-1.45418900,0.52036142,-1.88790296

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446975/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.28747

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-9.11253

>  <SCORE.INTRA.DIHEDRAL>
-2.97518

>  <SCORE.INTRA.DIHEDRAL.0>
7.96471

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.62494

>  <SCORE.INTRA.VDW.0>
1.38482

>  <SCORE.INTRA.norm>
-0.379689

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.220311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002455

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  186.0118  211.5636  256.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0860  211.5724  255.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1762  212.7893  255.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3754  213.7652  254.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.9771  212.7712  255.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6909  211.6414  256.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5834  211.6496  257.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7746  212.7842  257.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0465  213.8975  256.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1496  213.8944  255.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6924  212.8464  258.4204 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.6241  212.0117  258.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
101.94104038,-2.59624216,0.34656419,182.78942879,212.64947376,256.32628841
-0.24012505,-0.47021388,2.44320060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446976/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.60311

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.796891

>  <SCORE.INTRA.DIHEDRAL>
0.382293

>  <SCORE.INTRA.DIHEDRAL.0>
1.11863

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.988038

>  <SCORE.INTRA.VDW.0>
1.90504

>  <SCORE.INTRA.norm>
-0.0724447

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.600283

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  207.2916  199.7303  247.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0255  199.5373  249.2559 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.2177  198.1070  249.3725 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0315  197.4913  248.8306 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3885  198.5200  247.8503 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.1968  198.1636  246.4917 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2393  196.1183  248.3865 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4806  195.1170  248.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3156  193.9417  248.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9961  193.7946  247.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8267  194.6711  246.5898 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9945  195.8739  247.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7274  196.7404  246.7749 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7554  192.6893  246.2934 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2471  200.1158  250.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9380  199.9343  251.7079 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6134  197.3762  246.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4122  191.9229  246.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2360  192.8644  245.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3637  200.3343  252.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  6  0  0  0
  5  6  1  6  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.94706929,121.00629788,179.69569030,-100.93727854,179.88111178,207.30357796
196.96961653,248.23557972,0.07688619,-1.48705559,-1.00744916

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446977/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.08371

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-4.31629

>  <SCORE.INTRA.DIHEDRAL>
-5.88731

>  <SCORE.INTRA.DIHEDRAL.0>
8.59682

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.37263

>  <SCORE.INTRA.VDW.0>
-1.05122

>  <SCORE.INTRA.norm>
-0.269768

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.255232

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008963

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  209.7687  194.9788  243.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7345  193.4949  243.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7953  192.7865  243.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4104  191.3640  243.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1474  190.4466  242.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1087  191.3517  243.7019 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6323  192.6852  243.8436 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7988  192.9301  245.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3012  190.2130  243.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9079  190.3088  243.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1244  189.1649  244.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7266  187.9316  244.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1178  187.8314  244.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9003  188.9662  244.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-154.51833279,208.77642857,191.08549555,243.81467196,1.05963030,0.31951233
0.06308706

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446979/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.47129

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.928709

>  <SCORE.INTRA.DIHEDRAL>
-4.11413

>  <SCORE.INTRA.DIHEDRAL.0>
5.87312

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.12836

>  <SCORE.INTRA.VDW.0>
-0.802724

>  <SCORE.INTRA.norm>
-0.0663364

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.390806

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008875

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  205.4048  194.5361  246.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1309  193.7711  245.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9207  193.2040  244.5290 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.7989  192.2270  244.7185 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5348  191.6792  246.0862 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.0325  192.1952  246.9102 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.1303  191.3343  246.5119 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7691  192.4763  248.3034 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3491  190.3136  245.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6566  191.0230  244.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9227  190.7084  242.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2589  192.7372  243.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8232  193.3799  242.9950 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7003  191.4982  244.1519 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9420  194.6894  246.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2943  191.0065  244.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  6  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-105.09063647,-13.81109316,204.00668113,192.35839609,245.42062641,-1.58012539
-0.80680056,-1.98444350

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446980/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.42381

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-4.97619

>  <SCORE.INTRA.DIHEDRAL>
-0.547595

>  <SCORE.INTRA.DIHEDRAL.0>
2.43557

>  <SCORE.INTRA.POLAR>
-0.552375

>  <SCORE.INTRA.POLAR.0>
-0.0699911

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.82432

>  <SCORE.INTRA.VDW.0>
1.87302

>  <SCORE.INTRA.norm>
-0.331746

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.0949204

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.033576

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  206.9557  206.1548  243.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9752  205.2492  244.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9366  203.8222  243.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9586  202.8811  244.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3888  202.7474  245.8743 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7378  203.2028  246.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5699  203.9101  246.7945 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2740  204.8381  247.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0205  205.2660  248.7234 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0094  206.4142  249.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0688  207.4420  249.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2553  208.6307  250.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3581  208.7912  251.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2671  207.7519  251.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0861  206.5740  250.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6397  205.4711  247.4632 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.4013  202.6798  248.4240 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.9107  204.7899  248.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3371  204.6967  246.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4427  202.0462  247.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.65597378,-62.56339474,112.24666971,-147.70102868,4.12060856,-0.67830533
3.92880631,204.41193847,205.17552790,247.59705034,-0.98964301,1.08623115
0.41928238

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446981/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71505

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.729412

>  <SCORE.INTRA>
-4.68495

>  <SCORE.INTRA.DIHEDRAL>
-11.7004

>  <SCORE.INTRA.DIHEDRAL.0>
28.5861

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.16523

>  <SCORE.INTRA.VDW.0>
0.507739

>  <SCORE.INTRA.norm>
-0.275585

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.453826

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  194.9600  217.3470  255.8578 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.0225  218.4347  256.7902 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1626  217.3438  255.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6991  216.0415  257.0836 P   0  0  0  0  0  0  0  0  0  0  0  0
  195.0403  219.2930  256.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9412  218.3999  257.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0474  216.5930  254.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0344  215.9877  257.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8560  214.9546  256.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <CHROM.1>
66.02855295,-179.79237597,-76.09233927,195.15206702,217.00830885,256.39143059
-0.77149686,-1.00203495,-3.08634496

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446982/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.04443

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.85

>  <SCORE.INTRA>
-3.35557

>  <SCORE.INTRA.DIHEDRAL>
-3.81736

>  <SCORE.INTRA.DIHEDRAL.0>
5.14904

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.44689

>  <SCORE.INTRA.VDW.0>
0.968118

>  <SCORE.INTRA.norm>
-0.838893

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.01111

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044632

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  200.8959  204.9524  238.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3432  206.3602  237.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0801  206.5764  236.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6565  207.4617  238.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9752  207.4538  240.2921 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4757  207.6392  240.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1700  206.8255  241.2046 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9716  208.8173  240.1631 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2285  208.5324  240.9554 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9583  208.4976  242.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0942  207.7526  242.7615 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8507  209.2958  243.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6906  209.1974  244.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5478  209.8971  245.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5551  210.7003  244.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7016  210.8267  243.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8467  210.1286  242.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6230  211.5448  245.9457 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.9319  208.9310  240.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2522  209.4414  240.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
64.01605916,60.26475157,-118.91219635,157.89696159,-179.83675475,-74.85407968
-174.36523653,201.65809026,208.65640967,241.91217306,1.77212310,-0.35331449
-2.06356559

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446983/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.28583

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-3.11417

>  <SCORE.INTRA.DIHEDRAL>
-2.01268

>  <SCORE.INTRA.DIHEDRAL.0>
3.99848

>  <SCORE.INTRA.POLAR>
0.0107049

>  <SCORE.INTRA.POLAR.0>
-0.0107049

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.14422

>  <SCORE.INTRA.VDW.0>
-0.367566

>  <SCORE.INTRA.norm>
-0.173009

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.460324

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003277

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  207.1151  185.6331  235.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2456  186.7141  236.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3559  188.0555  236.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4766  189.0878  237.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4321  188.7660  238.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3409  187.4324  238.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2587  186.4094  238.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6451  190.4493  236.8392 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8420  190.9440  235.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9571  190.2799  234.5318 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9732  192.4281  235.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8339  193.2179  236.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9832  194.6103  236.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3296  195.1841  235.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4603  194.4133  234.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2729  193.0341  234.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7051  195.3989  237.6782 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8944  195.0616  239.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5467  194.0800  239.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4622  194.2642  241.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8611  193.4347  241.8804 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8337  195.4572  241.2929 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4175  195.9723  240.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8181  197.0095  239.8446 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6998  196.0736  242.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1771  195.4697  243.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0076  196.0837  244.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3085  197.2942  245.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8085  197.9088  243.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0337  197.3065  242.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0023  199.1721  244.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5711  195.4681  246.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4736  192.8146  238.9682 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.7808  191.0878  237.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1607  196.2437  237.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
-6.56216825,-2.65346239,33.42245377,12.67584684,-2.11576370,207.83872281
193.16757364,239.18920649,1.26423722,-1.52680683,-2.69621573

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446984/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.76059

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-7.63941

>  <SCORE.INTRA.DIHEDRAL>
-18.849

>  <SCORE.INTRA.DIHEDRAL.0>
25.3069

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.78508

>  <SCORE.INTRA.VDW.0>
-2.22783

>  <SCORE.INTRA.norm>
-0.231497

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0836543

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000070

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  196.6709  225.0238  253.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2063  224.2713  253.5838 P   0  0  0  0  0  0  0  0  0  0  0  0
  198.1490  223.6671  252.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9445  225.6969  253.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7417  223.5188  253.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6150  225.7226  254.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0194  226.1855  254.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1493  224.0253  254.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <CHROM.1>
-162.17546934,88.83171334,77.55433390,198.32947257,224.43750567,253.33804939
2.78956247,-0.33090068,0.38921572

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/446/14446985/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0241267

>  <SCORE.INTRA.VDW.0>
-0.0581668

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.452766

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  186.2009  214.2149  259.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1690  215.6048  258.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0598  215.6132  257.2102 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7725  214.6092  256.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7685  213.2160  256.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8549  213.1518  258.0409 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.4287  213.1373  257.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0586  211.9624  256.8062 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.7828  210.7781  257.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3335  209.7056  256.7343 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.1334  209.7599  255.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6217  208.6486  254.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3968  208.7113  253.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6929  209.8807  252.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2069  210.9955  253.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4229  210.9500  254.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9001  212.0578  255.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1381  213.1114  254.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1649  216.5345  257.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4691  217.4419  258.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5554  218.3172  258.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3499  218.3166  256.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0615  217.4359  255.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9866  216.5506  255.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7088  219.4177  256.7510 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
2.70283821,-172.10960590,81.46153791,186.23756574,213.96615673,256.34604730
0.32956305,0.81824493,1.39382031

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447002/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24038

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-1.15962

>  <SCORE.INTRA.DIHEDRAL>
-3.06486

>  <SCORE.INTRA.DIHEDRAL.0>
5.32691

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.37281

>  <SCORE.INTRA.VDW.0>
-0.859394

>  <SCORE.INTRA.norm>
-0.0463849

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.289615

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005215

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 51 55  0  0  0  0  0  0  0  0999 V2000
  193.7042  220.2822  262.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3807  221.0108  261.0517 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.5370  220.9773  260.0376 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.6525  219.5833  259.3964 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.3033  219.1570  258.8188 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2337  219.2150  259.9275 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1565  220.5278  260.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9699  218.8698  259.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9736  218.6560  260.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5743  218.4128  259.7355 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.4584  218.0561  260.7336 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.0825  219.2984  261.5645 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.7092  220.4673  260.6352 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8807  220.7377  259.6657 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.1619  219.5330  258.9307 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5400  221.8142  258.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4783  222.1498  257.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2055  222.4191  256.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2091  222.8350  255.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5285  222.9434  256.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6277  223.4416  255.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4966  223.6142  253.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8972  223.7978  255.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1470  222.8066  257.0080 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.0690  222.7477  257.9468 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8222  222.6391  257.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8004  222.2426  258.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4079  223.2471  257.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6285  222.5811  257.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7650  222.9017  258.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7084  223.8951  259.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4947  224.5656  259.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3540  224.2451  258.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7043  224.3246  260.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5460  223.3451  260.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9114  222.1996  258.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8664  223.1570  254.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5058  220.0949  259.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9873  219.0012  262.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7848  216.9315  261.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9960  220.0594  257.7343 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6474  219.6136  258.3656 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7520  221.3639  260.6837 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7375  221.5400  257.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6481  223.4347  253.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.2756  220.8395  259.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.3085  218.3025  263.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.9214  216.1577  260.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.1094  219.8067  257.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6927  218.6974  258.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6307  222.2681  261.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 43  1  1  0  0  0
  4  5  1  0  0  0  0
  4 42  1  6  0  0  0
  5  6  1  0  0  0  0
  5 41  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  1  0  0  0
 12 13  1  0  0  0  0
 12 39  1  1  0  0  0
 13 14  1  0  0  0  0
 13 38  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 27  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 36  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 36 44  1  0  0  0  0
 37 45  1  0  0  0  0
 38 46  1  0  0  0  0
 39 47  1  0  0  0  0
 40 48  1  0  0  0  0
 41 49  1  0  0  0  0
 42 50  1  0  0  0  0
 43 51  1  0  0  0  0
M  END
>  <CHROM.1>
-59.96043762,178.31558252,-176.97532673,169.10398532,174.63973917,175.09071441
-60.84251609,62.48891259,-179.81528125,-178.57875430,136.33900275,179.72891368
-103.00919262,-0.94229871,-42.02023855,191.76650738,221.31995018,258.83878673
-0.30029855,0.20341968,2.22427579

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447003/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.73691

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.288372

>  <SCORE.INTRA>
-19.1369

>  <SCORE.INTRA.DIHEDRAL>
-20.4123

>  <SCORE.INTRA.DIHEDRAL.0>
26.6761

>  <SCORE.INTRA.POLAR>
0.339555

>  <SCORE.INTRA.POLAR.0>
-0.35639

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.0853

>  <SCORE.INTRA.VDW.0>
4.23937

>  <SCORE.INTRA.norm>
-0.445044

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
-0.156672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000530

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 57 59  0  0  0  0  0  0  0  0999 V2000
  206.9094  196.8465  240.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5425  198.0826  241.5154 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.6618  197.6950  242.5315 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6662  196.6964  241.9012 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.8739  195.4374  241.4444 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.9386  195.8389  240.2486 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.6459  196.3823  239.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1653  196.3345  237.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1363  195.7370  237.4682 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9685  197.1143  236.7320 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.3653  196.5149  236.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3892  195.0333  236.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8307  194.7882  234.8911 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2885  197.0408  235.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6683  194.2618  241.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9172  193.0761  240.8499 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.7061  191.7492  240.5983 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.2468  191.1553  241.9122 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.0998  191.0026  242.9251 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4075  192.3638  243.0999 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8995  192.8288  241.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2525  192.2798  244.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2607  191.3552  243.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1811  189.9959  242.4516 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9232  189.8671  241.6072 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7798  191.8401  239.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
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  209.3320  198.7575  243.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9146  199.8276  242.5170 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0645  201.0970  243.4052 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.3109  201.0494  244.3041 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5384  200.6029  243.5069 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2392  199.2457  242.8674 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1570  199.4314  241.9153 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4521  198.6665  242.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8879  199.4612  240.9531 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8163  201.5899  242.4913 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5769  202.3460  244.8645 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8875  201.3277  244.1895 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4753  198.8549  242.1745 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4772  196.9358  239.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.9856  195.3481  234.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5094  193.8197  234.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
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  205.5493  191.3534  244.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3945  190.0146  243.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1866  189.1861  241.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3200  189.4967  242.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3357  192.0946  238.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.8983  197.9885  241.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8411  200.4555  241.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2108  199.3409  240.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0015  202.4333  242.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
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  208.7114  200.5009  244.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8301  199.2304  241.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8792  199.6768  242.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  1  0  0  0
  3  4  1  0  0  0  0
  3 28  1  6  0  0  0
  4  5  1  0  0  0  0
  4 27  1  6  0  0  0
  5  6  1  0  0  0  0
  5 15  1  6  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 42  1  0  0  0  0
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 14 44  1  0  0  0  0
 16 15  1  1  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  6  0  0  0
 18 19  1  0  0  0  0
 18 25  1  6  0  0  0
 19 20  1  0  0  0  0
 19 24  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
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 29 28  1  1  0  0  0
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 30 39  1  1  0  0  0
 31 32  1  0  0  0  0
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 32 37  1  6  0  0  0
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 39 55  1  0  0  0  0
 40 56  1  0  0  0  0
 40 57  1  0  0  0  0
M  END
>  <CHROM.1>
-64.80238899,-53.53250963,63.07704753,176.25438389,-84.61911207,63.73941759
57.84458469,59.91500554,64.54210399,-42.92713547,-178.38190274,-61.83778846
-72.20536159,-171.15124051,-60.50939864,-179.14825268,157.29030084,53.78941208
177.00893725,60.92980264,-63.51520775,40.16514759,209.56858774,196.27625772
241.14466149,-2.99727194,1.30482251,1.67224465

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447004/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.08103

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-20.481

>  <SCORE.INTRA.DIHEDRAL>
-24.1792

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.10356

>  <SCORE.INTRA.VDW.0>
-2.70784

>  <SCORE.INTRA.norm>
-0.512026

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
-0.0270257

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  194.1805  216.6673  269.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8295  217.9091  269.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9263  217.8401  268.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3191  218.4686  266.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4486  218.4608  265.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2372  217.7768  265.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8500  217.1495  267.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6890  217.1927  268.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2021  217.7169  264.4816 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.4752  219.2722  266.8336 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9380  219.3000  267.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1029  219.0675  266.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
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0.48450802,2.06326824

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447005/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
6.73641

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
-1.60988

>  <SCORE.INTRA.VDW.0>
2.08866

>  <SCORE.INTRA.norm>
-0.0663588

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.673641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000277

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  223.8290  188.1293  242.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5244  187.8672  241.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8041  187.5995  240.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5998  187.3458  239.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9524  187.0614  238.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7999  185.8255  238.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9308  185.8030  237.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <CHROM.1>
-179.97940667,-179.71936076,62.69345242,-119.64704600,222.81016417,187.09795286
239.89043187,-1.54309342,0.30411187,-2.01034374

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447006/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.76169

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.34286

>  <SCORE.INTRA>
-0.638309

>  <SCORE.INTRA.DIHEDRAL>
0.0279439

>  <SCORE.INTRA.DIHEDRAL.0>
1.09601

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.652281

>  <SCORE.INTRA.VDW.0>
0.137162

>  <SCORE.INTRA.norm>
-0.0911869

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.25167

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.096305

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  193.8589  215.2396  257.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8665  216.5337  256.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4321  217.6287  257.4468 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0045  217.3309  258.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0774  216.0889  259.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4867  214.9838  258.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4598  213.7013  259.1863 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7705  216.1703  260.4405 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0874  217.4401  260.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6405  218.1853  259.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7870  219.6141  259.3835 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1484  220.3446  258.1908 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.2714  221.7715  258.7128 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8449  221.5815  260.1843 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2987  220.2588  260.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4177  222.6028  261.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8414  222.4599  261.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6303  222.1910  258.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7650  220.0837  257.9409 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3767  213.2714  259.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0070  213.7417  260.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1474  222.5334  260.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8447  222.1836  257.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6448  219.1358  257.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <CHROM.1>
114.73572306,1.30028604,-63.30014085,61.91309523,-64.78239611,54.60585875
195.17185159,218.76096706,259.17389173,2.00410000,1.11040277,2.95801295

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447007/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.993874

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-7.40613

>  <SCORE.INTRA.DIHEDRAL>
-13.4077

>  <SCORE.INTRA.DIHEDRAL.0>
17.1199

>  <SCORE.INTRA.POLAR>
-0.0206308

>  <SCORE.INTRA.POLAR.0>
-1.73881

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.632109

>  <SCORE.INTRA.VDW.0>
-0.554695

>  <SCORE.INTRA.norm>
-0.389796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.0523092

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  196.3429  213.5772  252.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6083  212.9932  253.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2097  212.0585  254.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5547  211.6706  254.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2698  212.2787  252.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6760  213.2236  252.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1874  210.6638  254.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4773  210.0564  255.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0818  209.1211  256.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4052  208.7350  256.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1331  209.3263  255.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5313  210.2786  254.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8883  207.8191  257.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0386  207.1032  257.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7427  206.1194  255.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3270  204.9778  256.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0008  206.5533  254.6802 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9318  206.3462  253.7909 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6873  206.9296  253.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1499  207.8482  253.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6294  208.5334  251.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8071  209.3860  251.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4531  209.6198  251.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9441  209.0124  252.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7948  208.0583  253.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4976  207.3612  254.6358 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6265  206.6094  254.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7565  205.7992  255.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5526  207.4000  254.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2681  206.2868  252.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-0.49623047,159.99202129,-69.84474522,-84.98460411,-130.32941458,63.48804737
110.83671809,198.32827381,208.91441461,254.42807980,-2.51249588,1.00408797
-2.78665427

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447008/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.03425

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-8.36575

>  <SCORE.INTRA.DIHEDRAL>
-1.85087

>  <SCORE.INTRA.DIHEDRAL.0>
5.51596

>  <SCORE.INTRA.POLAR>
0.00311392

>  <SCORE.INTRA.POLAR.0>
-0.00311392

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.45091

>  <SCORE.INTRA.VDW.0>
-0.0905727

>  <SCORE.INTRA.norm>
-0.298777

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.14408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000166

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  207.4001  204.9470  248.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0521  203.6530  248.6221 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0139  203.0602  249.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9854  203.3105  250.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0033  202.8206  251.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0475  202.0642  251.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0712  201.8020  249.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0574  202.2983  248.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1749  201.0368  249.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1504  200.5669  249.7514 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1386  199.8812  249.0992 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1618  199.3339  249.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2175  199.4175  251.0958 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2355  198.5919  249.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2731  198.0921  249.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3555  197.4378  249.4729 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4190  197.2945  248.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4424  197.7612  247.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3281  198.4195  247.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0127  204.1605  251.3649 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6814  203.8172  251.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2623  202.8392  250.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7521  204.8184  251.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3703  204.5877  251.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4271  205.4769  252.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8649  206.6149  252.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2376  206.8592  253.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1785  205.9614  252.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8760  207.5574  253.4113 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.6764  207.3068  253.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3015  208.5475  254.0217 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.0612  199.7116  248.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END
>  <CHROM.1>
88.93302629,58.13377336,0.94521833,-177.65444602,177.85171086,1.48106252
179.54500007,208.84919150,202.65639582,250.55503751,2.80730995,-0.52022217
1.38178644

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447009/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3864

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.01356

>  <SCORE.INTRA.DIHEDRAL>
-0.576512

>  <SCORE.INTRA.DIHEDRAL.0>
8.6609

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.72531

>  <SCORE.INTRA.VDW.0>
0.965823

>  <SCORE.INTRA.norm>
-0.0649536

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.335046

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000046

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  201.3681  196.6122  244.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9262  196.5084  243.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6563  197.0900  243.1398 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5593  198.3497  242.4816 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8233  198.8186  241.7429 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.6825  199.5781  240.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9705  200.3109  240.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9859  201.3321  239.4368 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2254  199.7430  240.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4025  200.4931  240.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5706  200.0262  241.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5691  198.8065  241.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4017  198.0518  241.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2070  198.5094  241.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8952  197.7495  241.5744 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0577  197.0532  242.7899 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6959  196.7299  240.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3370  198.3694  241.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9899  197.3001  240.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6194  197.1476  240.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7492  197.9924  240.1825 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4281  195.4562  239.8370 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.0867  195.1630  240.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7717  196.1668  240.7623 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6943  193.8195  240.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0589  193.5788  240.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5727  192.2885  240.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7276  191.2451  239.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3653  191.4773  239.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8553  192.7639  239.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7733  195.0095  243.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  6  0  0  0
  5 15  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 18 19  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-40.71393356,168.67646191,200.36119266,196.85014007,241.09801457,-0.75187030
0.23614667,3.10651242

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447010/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.23829

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.23871

>  <SCORE.INTRA>
-2.16171

>  <SCORE.INTRA.DIHEDRAL>
-3.12989

>  <SCORE.INTRA.DIHEDRAL.0>
5.48044

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.596764

>  <SCORE.INTRA.VDW.0>
-1.57184

>  <SCORE.INTRA.norm>
-0.0697325

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.168977

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006077

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  196.6274  212.1091  251.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9243  213.3015  252.5887 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.4745  213.0102  252.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7426  213.5703  251.8509 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6100  214.4299  251.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8616  214.3986  251.6080 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0308  215.3333  250.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1174  214.5521  248.6365 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-89.42997752,194.78672777,213.93069184,250.94569990,-1.14103373,0.47652338
-1.30323980

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447011/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27241

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.127586

>  <SCORE.INTRA.DIHEDRAL>
-0.0386946

>  <SCORE.INTRA.DIHEDRAL.0>
1.33748

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.108238

>  <SCORE.INTRA.VDW.0>
-0.469643

>  <SCORE.INTRA.norm>
-0.0159482

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.784052

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.100425

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  209.1197  197.2612  248.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1964  197.2155  249.1506 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2318  195.8085  249.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2844  195.5885  250.8692 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0536  196.3265  252.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3624  194.1485  251.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6245  197.7716  248.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0974  198.7919  249.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4556  199.6523  250.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2786  199.5299  250.7836 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2046  200.8043  251.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7062  200.6854  250.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3372  201.0648  249.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7282  200.9369  249.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4944  200.4311  250.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8732  200.0491  251.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4849  200.1671  252.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5717  197.2224  247.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1429  196.1278  246.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9623  195.5836  245.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2358  196.1033  245.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6900  197.1649  246.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8748  197.7193  247.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
176.84740388,117.67628403,71.15160770,0.57304922,-1.47134145,-18.54498269
81.30058650,212.61847746,198.05070734,249.50986166,2.30095476,-0.58529548
-2.21992691

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447012/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.1861

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-3.2139

>  <SCORE.INTRA.DIHEDRAL>
-2.95938

>  <SCORE.INTRA.DIHEDRAL.0>
6.98855

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.73421

>  <SCORE.INTRA.VDW.0>
-2.13765

>  <SCORE.INTRA.norm>
-0.139735

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.399396

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  213.1535  211.7365  254.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9446  212.3586  253.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5153  211.2858  253.9754 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.7639  210.1269  253.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1099  211.1479  255.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3559  212.1825  253.1290 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0021  211.7333  253.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0904  212.3818  253.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7917  211.9328  253.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3943  210.8760  253.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2794  210.2019  252.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6105  210.6411  252.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0263  210.6950  253.3071 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5560  211.6395  254.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4080  211.7805  254.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6678  212.3977  254.6298 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7229  212.3851  252.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.4356  210.0214  252.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6149  213.1574  255.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
-68.55249434,-170.97530110,102.21988448,207.84190833,211.43007297,253.78108272
0.00798883,-0.01137962,0.89455768

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447013/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.58688

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-0.813118

>  <SCORE.INTRA.DIHEDRAL>
-1.59217

>  <SCORE.INTRA.DIHEDRAL.0>
2.28819

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0170327

>  <SCORE.INTRA.VDW.0>
-1.54361

>  <SCORE.INTRA.norm>
-0.0508199

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.47418

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000195

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  200.5618  203.8081  244.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3894  203.5329  245.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3880  204.0702  246.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2926  204.7315  246.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1121  203.7155  247.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9203  204.4182  246.5697 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5883  204.0388  247.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5677  204.6732  246.5747 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.1636  206.1960  246.6986 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  1  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-0.72538873,-68.16110784,177.16255305,-178.58064000,197.82484149,204.61351488
246.41453142,0.27307554,-0.16302553,-2.77373306

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447014/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.28559

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-1.11441

>  <SCORE.INTRA.DIHEDRAL>
-0.66535

>  <SCORE.INTRA.DIHEDRAL.0>
1.88189

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.781731

>  <SCORE.INTRA.VDW.0>
1.45553

>  <SCORE.INTRA.norm>
-0.123823

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.920622

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.164616

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  224.9595  187.4003  236.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7745  186.7737  236.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6457  185.4491  236.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2515  184.6401  235.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0825  183.2637  235.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3949  182.6300  236.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8103  183.4689  237.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9141  184.8636  237.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2537  181.1553  236.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5277  180.4573  237.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1332  180.8153  239.3012 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.9565  179.6555  239.6103 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.5252  178.5086  238.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9315  177.3766  239.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4538  178.9599  237.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6970  178.2179  237.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1953  179.7757  240.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1176  179.0506  241.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1280  179.6906  242.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0493  179.0095  244.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0647  177.8977  243.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6076  178.3699  243.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2509  179.2748  244.8655 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1521  180.3876  244.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6083  179.9184  245.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1087  181.0706  240.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2365  182.1966  241.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3489  182.4027  242.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3132  181.4925  242.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1572  180.3907  241.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0405  180.1857  240.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4175  181.7102  243.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5004  182.6645  244.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5300  180.6886  243.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6277  180.7851  244.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8314  180.4460  235.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6811  181.0298  234.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
-133.72814512,179.97715147,-0.47295540,-133.63242151,115.46840570,-67.13552814
-179.51451974,-86.60124469,2.06680955,179.21949472,223.19338277,181.11276805
240.37650227,1.28523362,1.00336936,-0.83278287

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447015/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4848

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-3.91515

>  <SCORE.INTRA.DIHEDRAL>
-1.93004

>  <SCORE.INTRA.DIHEDRAL.0>
8.45525

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.95013

>  <SCORE.INTRA.VDW.0>
0.436893

>  <SCORE.INTRA.norm>
-0.108754

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.291246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004237

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  219.7926  186.4193  240.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0886  186.4717  241.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0090  187.3686  240.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5440  188.1340  239.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3038  188.1073  239.2639 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4648  187.2390  239.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7223  189.1853  239.1669 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.8821  188.6777  240.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3774  187.6865  241.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1394  187.1385  242.1183 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.3182  187.5523  242.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.8518  188.5214  241.5632 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1783  189.1237  240.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7379  190.1885  239.8100 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.1422  189.9773  238.4822 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.3358  191.0966  240.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.6652  190.7947  238.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.3159  189.9352  237.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-74.75124574,-170.60507194,223.14519916,188.25761288,240.36535514,-2.89744137
-0.29243570,-0.90980700

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447016/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74605

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.653945

>  <SCORE.INTRA.DIHEDRAL>
-0.641065

>  <SCORE.INTRA.DIHEDRAL.0>
1.28741

>  <SCORE.INTRA.POLAR>
0.0645512

>  <SCORE.INTRA.POLAR.0>
-0.0645512

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.552887

>  <SCORE.INTRA.VDW.0>
-0.397009

>  <SCORE.INTRA.norm>
-0.0435964

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.449737

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  197.3810  211.2722  247.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8385  212.6561  247.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8466  213.5138  248.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7534  214.3116  247.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7188  215.0595  248.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7955  215.0158  249.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8474  214.2696  250.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8852  213.5214  249.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9021  215.7734  250.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6714  216.3973  249.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0624  215.8094  252.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8064  216.4237  252.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2636  214.4015  252.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4344  216.8688  252.6346 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
89.10083100,0.49230796,-60.24868194,199.89682674,214.88843971,250.40391023
2.53830140,-0.75653708,-1.49901068

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447017/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38298

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.01702

>  <SCORE.INTRA.DIHEDRAL>
-5.08698

>  <SCORE.INTRA.DIHEDRAL.0>
6.0531

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.52647

>  <SCORE.INTRA.VDW.0>
-0.27672

>  <SCORE.INTRA.norm>
-0.144073

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.455927

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  209.6750  190.7184  252.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6387  191.6487  252.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9852  192.6071  251.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7957  193.7012  251.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1491  194.6799  250.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6864  194.5856  249.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8948  193.4958  249.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5638  192.4532  250.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7283  191.3020  249.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9379  190.5780  250.4942 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0507  189.8769  249.7215 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3658  190.0774  248.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4936  190.8953  248.3798 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2813  191.2168  247.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6497  191.4932  247.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3714  191.8606  246.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7526  191.9020  244.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4032  191.5824  244.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6646  191.2697  245.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5960  189.2571  247.1382 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.7149  187.8734  247.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6504  186.8240  248.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8421  185.7432  247.8894 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2967  187.1752  249.6308 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3691  186.3758  250.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7582  186.8231  249.7409 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.1424  188.2332  250.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0684  188.6540  249.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4416  187.9950  247.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8654  186.7664  248.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1686  188.1165  249.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 26 25  1  6  0  0  0
 26 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-76.04457719,23.53652590,-14.88057710,27.48861617,-68.49612109,-104.40899786
92.57978628,63.18246324,208.03476489,190.11977237,248.89855440,0.02361413
1.13135702,1.85002301

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447026/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.84952

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-4.55048

>  <SCORE.INTRA.DIHEDRAL>
0.382212

>  <SCORE.INTRA.DIHEDRAL.0>
11.7315

>  <SCORE.INTRA.POLAR>
-0.366333

>  <SCORE.INTRA.POLAR.0>
-0.633667

>  <SCORE.INTRA.REPUL>
-0.045898

>  <SCORE.INTRA.REPUL.0>
0.045898

>  <SCORE.INTRA.VDW>
-3.26656

>  <SCORE.INTRA.VDW.0>
-4.20372

>  <SCORE.INTRA.norm>
-0.151683

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.294984

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  197.2690  213.6171  257.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4289  212.8577  256.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0017  213.3883  256.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3808  213.3586  258.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1898  214.0230  259.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6272  213.5145  259.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7035  213.7587  258.0339 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.5718  215.1900  257.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0059  212.8372  257.1629 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2256  213.3641  259.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4478  214.2636  260.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1543  213.9933  261.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6163  212.8140  262.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3281  211.8807  261.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6356  212.1544  260.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3721  212.5027  263.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6416  213.2696  264.4588 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0415  211.2891  264.4589 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4788  210.0177  263.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0544  208.9902  263.6440 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5337  211.3342  264.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2394  210.2615  263.9438 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5768  210.5872  263.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6076  209.6891  263.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9219  210.1494  263.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2186  211.4922  263.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2134  212.4052  263.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8949  211.9305  263.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4544  212.7843  264.3984 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 21  1  0  0  0  0
 19 20  3  0  0  0  0
 21 29  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-75.82199842,133.97047129,6.32128786,-70.71439202,-139.62064359,193.88302764
212.46131837,261.30826664,-1.55644607,-0.14559144,1.94240799

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447027/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.18568

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-1.21432

>  <SCORE.INTRA.DIHEDRAL>
-3.07968

>  <SCORE.INTRA.DIHEDRAL.0>
6.68036

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.32552

>  <SCORE.INTRA.VDW.0>
-3.52862

>  <SCORE.INTRA.norm>
-0.0418731

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.316748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000680

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  210.8259  192.9175  252.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6786  193.9554  252.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0613  194.1144  251.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5722  193.1868  250.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7220  192.1409  250.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3519  192.0099  251.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1083  190.9626  249.3973 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.0415  193.3446  248.4421 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.9919  195.0952  250.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6772  196.1093  251.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3343  196.8716  252.7099 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.8162  196.5443  250.5947 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2976  196.0646  249.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6382  195.3525  248.6449 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6800  196.4874  249.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1560  196.0403  247.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4812  196.2742  247.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4583  197.0739  247.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6736  197.3132  247.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9127  196.7595  245.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9484  195.9674  245.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7366  195.7305  246.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4012  197.0673  245.1801 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.2237  195.0059  249.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3675  197.2112  251.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-3.43345533,-179.17742257,-2.36370100,215.00584117,194.97560134,249.11621878
-3.03821522,-0.55260012,-2.25821292

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447028/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.03408

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-1.36592

>  <SCORE.INTRA.DIHEDRAL>
-3.07778

>  <SCORE.INTRA.DIHEDRAL.0>
3.14273

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.172967

>  <SCORE.INTRA.VDW.0>
-0.231977

>  <SCORE.INTRA.norm>
-0.059388

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.305829

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 32  0  0  0  0  0  0  0  0999 V2000
  196.3461  210.0418  253.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4979  209.5136  254.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5666  207.9916  254.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6917  207.4288  255.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7685  205.9041  255.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8941  205.2868  256.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9478  203.7627  256.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0770  203.1240  257.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6766  203.3405  259.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7750  202.8419  260.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4333  203.5678  260.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5274  205.0086  260.8533 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8113  205.9533  259.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6774  206.3292  258.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1881  207.2525  257.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0379  207.5627  256.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4570  208.4414  255.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3787  207.6419  254.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8640  208.4961  253.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8327  207.7220  252.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3491  208.6322  251.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3570  207.9198  250.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8942  208.8720  249.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3790  205.3894  262.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1218  204.5612  263.0855 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4551  206.8191  262.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7060  207.9269  261.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6963  209.2264  262.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5207  209.4209  263.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3490  208.3401  264.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3073  207.0473  264.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5353  210.6641  264.2282 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-178.33106850,178.52912922,-179.10500752,177.10110366,-179.87328731,-69.41903050
174.28610687,-64.54787598,-61.61408296,79.25572220,77.43260127,-176.33238511
177.96619401,-178.11167309,68.80609497,-178.02675249,177.60062276,-177.20312836
178.27960409,-177.67541878,-1.48528414,192.61808503,206.96632692,257.98338756
0.29442000,1.30656051,-0.17395500

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447029/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
22.9599

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.825

>  <SCORE.INTRA>
-3.44013

>  <SCORE.INTRA.DIHEDRAL>
-2.0967

>  <SCORE.INTRA.DIHEDRAL.0>
5.67714

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.39178

>  <SCORE.INTRA.VDW.0>
-1.84258

>  <SCORE.INTRA.norm>
-0.107504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.717496

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008960

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  185.4593  213.5919  257.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7978  214.5408  256.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1353  214.7677  256.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1368  214.0602  257.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7955  213.1000  258.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4487  212.8332  258.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1332  211.7790  259.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0204  211.0572  260.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.3502  210.1519  260.8399 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0675  210.3227  260.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8665  211.3198  259.7078 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.6406  211.7843  259.2481 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.4827  211.2037  259.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4000  210.2271  260.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7713  209.4509  261.3749 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.2388  211.7803  259.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9913  211.2185  259.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8292  211.7500  258.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9157  212.8434  258.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1514  213.4151  257.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3121  212.8823  258.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.3474  213.5499  257.2653 Br  0  0  0  0  0  0  0  0  0  0  0  0
  187.5482  215.9299  255.2882 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  183.6228  211.9845  258.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-177.89700258,174.36669190,182.97001883,212.58297905,258.42278789,0.01472206
-0.02713813,-0.76108553

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447030/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.65916

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-5.74084

>  <SCORE.INTRA.DIHEDRAL>
-15.519

>  <SCORE.INTRA.DIHEDRAL.0>
15.7316

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.01866

>  <SCORE.INTRA.VDW.0>
-1.60442

>  <SCORE.INTRA.norm>
-0.249602

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0721373

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000070

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  213.3484  196.0579  242.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5148  194.5935  242.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4894  194.3837  243.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4047  195.7313  244.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1890  196.7326  243.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0306  196.1568  244.6423 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2819  195.7068  245.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7203  194.9704  246.5882 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8445  196.1905  245.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0532  195.2895  244.9285 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2526  195.3180  243.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0800  196.0081  243.0211 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3362  194.3256  242.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7900  193.5397  241.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2049  193.6497  241.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6066  192.5217  240.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5090  192.3250  239.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2580  191.8521  240.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5653  190.7513  239.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9881  189.9141  238.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1530  189.9555  237.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2281  188.9118  236.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1156  188.1029  236.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9822  188.6140  238.1141 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.8775  192.6666  241.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6170  192.5169  241.7327 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1994  193.2459  242.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8948  193.0613  243.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3625  193.7837  244.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1465  194.7223  244.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4561  194.9265  244.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0142  194.1893  243.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5287  196.5532  243.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 32  1  0  0  0  0
 13 14  2  0  0  0  0
 14 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
84.44996700,87.02917980,-71.25491188,2.93335461,-140.62785104,6.73751002
208.26437095,193.32405738,242.11351995,-1.11109945,-0.19264348,-2.26298606

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447031/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.16584

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-7.23416

>  <SCORE.INTRA.DIHEDRAL>
-15.8416

>  <SCORE.INTRA.DIHEDRAL.0>
23.4845

>  <SCORE.INTRA.POLAR>
-0.486179

>  <SCORE.INTRA.POLAR.0>
-0.106475

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.33964

>  <SCORE.INTRA.VDW.0>
-1.84255

>  <SCORE.INTRA.norm>
-0.226068

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.130182

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001036

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  191.7331  195.5714  242.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8799  196.5274  243.1479 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.3197  195.8656  243.0731 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8401  195.7990  241.5879 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.1429  194.7223  240.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6908  195.4199  239.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9139  195.9392  238.7327 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4824  196.7126  237.4460 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.8400  195.8277  236.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5900  196.7021  235.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8211  197.5287  234.6022 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5411  198.3759  235.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8407  197.2278  236.7757 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2530  197.2306  237.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3784  196.3506  238.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1848  196.6109  239.5990 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.3351  195.9534  241.1272 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0036  196.8647  242.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7098  196.4068  243.6771 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2339  196.6782  244.0544 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9168  198.2277  244.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9545  198.7123  243.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9630  197.9566  242.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2390  198.4112  241.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9857  196.1765  245.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0340  195.0310  243.8670 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2294  194.6774  241.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2272  198.1593  239.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9387  199.5463  236.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6621  199.1504  235.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8750  196.5256  234.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7772  195.6901  233.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8148  195.6482  232.4103 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9623  194.7516  233.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2142  197.6098  237.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9926  194.8972  243.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 26 36  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
65.81132925,63.95427626,-0.55620542,195.11498508,196.68952116,239.26851412
1.65358994,-0.37846431,1.62417255

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447032/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.81268

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.211429

>  <SCORE.INTRA>
-5.58732

>  <SCORE.INTRA.DIHEDRAL>
-10.2397

>  <SCORE.INTRA.DIHEDRAL.0>
10.5733

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.467449

>  <SCORE.INTRA.VDW.0>
-0.467981

>  <SCORE.INTRA.norm>
-0.159638

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0517908

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004274

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  206.5558  201.1174  243.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2474  201.2774  245.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2678  201.2726  246.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5948  201.1170  245.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9037  200.9574  244.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8861  200.9435  243.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2218  200.7719  241.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2085  199.0554  241.4047 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.8873  201.4621  247.6865 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-90.51810901,207.61984932,200.70779333,244.36913087,1.36894636,0.13370038
-1.86585822

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447033/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37695

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.0230515

>  <SCORE.INTRA.DIHEDRAL>
-0.0459396

>  <SCORE.INTRA.DIHEDRAL.0>
0.742959

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.17712e-05

>  <SCORE.INTRA.VDW.0>
-0.486372

>  <SCORE.INTRA.norm>
-0.00256128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.70855

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002633

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  205.5713  213.8910  257.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4726  214.2334  256.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3927  214.8976  256.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3977  215.2287  258.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4991  214.8833  259.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5934  214.2120  258.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7955  213.8652  259.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6018  212.5459  260.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3993  211.4334  259.1925 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0316  215.3984  255.9325 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.2958  216.7468  255.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7287  214.3132  255.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7696  215.5045  256.8890 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.5052  211.5430  258.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3312  210.5635  259.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-91.46015206,-96.61666973,60.54173268,-67.65946868,203.81403471,214.49518418
257.36818439,-0.15037498,0.73968635,-2.26041640

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447042/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.90456

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-0.495436

>  <SCORE.INTRA.DIHEDRAL>
-0.178711

>  <SCORE.INTRA.DIHEDRAL.0>
2.0462

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.40608

>  <SCORE.INTRA.VDW.0>
-0.955173

>  <SCORE.INTRA.norm>
-0.0381104

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.684966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  195.9920  214.7527  241.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0111  214.3470  242.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7232  214.1090  244.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7936  213.1344  243.9998 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8248  213.5466  243.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1664  213.7762  241.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0209  212.1050  244.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1216  211.8075  245.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2908  210.6964  246.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3679  209.8344  246.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3174  210.1423  245.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1361  211.2609  244.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5279  208.6543  247.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5875  208.1630  248.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4895  208.6625  248.4621 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0148  206.9014  248.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0231  207.2779  250.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1861  207.9546  249.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3257  209.3098  249.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5383  210.1277  249.9267 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6324  209.6565  248.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2794  208.3152  248.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2824  207.3023  249.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4613  206.0946  248.9743 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2998  208.0516  247.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
10.74625233,6.31306453,76.23753567,-58.55208438,97.14405038,197.75925776
210.30934929,246.66671403,-1.87810595,-0.06177504,2.32415123

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447043/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.62864

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-4.77136

>  <SCORE.INTRA.DIHEDRAL>
-5.53776

>  <SCORE.INTRA.DIHEDRAL.0>
9.60398

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.00247

>  <SCORE.INTRA.VDW.0>
0.767684

>  <SCORE.INTRA.norm>
-0.198807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.234527

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000317

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  213.2279  182.9960  244.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6891  184.0000  245.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7527  183.2695  246.9233 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.9339  182.8367  245.6959 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.3919  181.4181  245.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8044  181.1457  245.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5290  180.1581  245.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3997  182.1277  247.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5301  182.5923  249.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0319  180.5133  247.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0788  179.2923  245.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8496  180.2448  246.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  6  0  0  0
  4  5  1  1  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
110.06379328,-151.56828248,-167.86465233,-7.98514466,212.63577297,182.01416295
246.44593314,3.08619210,0.86738356,2.62168407

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447044/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.09621

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-4.30379

>  <SCORE.INTRA.DIHEDRAL>
-2.00669

>  <SCORE.INTRA.DIHEDRAL.0>
6.24069

>  <SCORE.INTRA.POLAR>
-0.79501

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.597411

>  <SCORE.INTRA.VDW.0>
-0.606697

>  <SCORE.INTRA.norm>
-0.430379

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.309621

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000448

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  205.4118  206.9052  247.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1529  207.3811  248.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1095  206.4915  250.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3332  205.1114  249.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5694  204.6447  248.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6079  205.5399  247.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3800  204.2413  251.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1975  204.7551  252.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6920  202.8892  250.9218 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6940  201.9507  250.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4096  201.4022  249.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0402  201.6179  248.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2753  201.5342  247.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8914  201.6506  245.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2702  201.8531  245.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0409  201.9188  246.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4283  201.7885  248.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2503  201.8051  249.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0963  201.2590  251.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2176  200.2704  251.7229 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8049  200.0379  252.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8216  199.1451  253.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5566  199.0838  254.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2777  199.8782  255.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2757  200.7691  255.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5052  200.8321  253.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3395  201.5920  253.1020 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5179  202.7325  250.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1646  201.9709  248.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9577  202.3289  253.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
1.40907116,-89.57276100,102.89491740,-174.21760879,-147.69884259,-177.75201361
204.69401499,202.47088322,250.40416975,0.05712418,1.19215560,0.49955910

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447046/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.595189

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-9.80481

>  <SCORE.INTRA.DIHEDRAL>
-11.7705

>  <SCORE.INTRA.DIHEDRAL.0>
17.0118

>  <SCORE.INTRA.POLAR>
-0.938767

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.72775

>  <SCORE.INTRA.VDW.0>
-1.99673

>  <SCORE.INTRA.norm>
-0.363141

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.022044

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000220

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  196.4455  220.9591  254.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3635  220.5810  254.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5426  220.0402  255.6279 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7227  220.2943  257.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6620  219.8945  257.7876 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6899  220.9821  257.6751 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1256  220.2021  255.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9818  221.2054  257.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.5717  219.4814  255.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9691  220.0704  254.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
116.27464433,-77.35172029,172.48578078,0.53430391,195.75921066,220.42159854
256.05695843,-1.15113792,-0.02838344,1.62537001

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447048/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.62131

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-1.77869

>  <SCORE.INTRA.DIHEDRAL>
-0.460433

>  <SCORE.INTRA.DIHEDRAL.0>
2.43759

>  <SCORE.INTRA.POLAR>
-0.282434

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.588199

>  <SCORE.INTRA.VDW.0>
0.364079

>  <SCORE.INTRA.norm>
-0.254099

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.945901

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.161121

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  206.7158  191.2864  247.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1447  192.4448  247.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9122  192.1235  245.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2243  193.0779  244.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7116  194.1716  244.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9597  192.5423  243.3473 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4733  192.2475  243.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5604  193.4863  243.0274 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1122  193.2139  242.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2859  192.2609  243.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0218  192.7530  244.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2469  192.6405  245.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2408  193.7840  245.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5852  194.3425  244.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9518  195.5203  244.1983 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5145  193.5007  242.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2864  194.7110  242.3911 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4274  192.9750  241.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6 16  1  0  0  0  0
  8  7  1  1  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
178.79320634,1.69412208,65.25703914,64.93009439,-47.45800481,174.61980443
205.60552202,193.18287000,244.27491856,-2.86575241,-0.00486239,-1.26590179

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447049/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.01751

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-3.38249

>  <SCORE.INTRA.DIHEDRAL>
-3.0995

>  <SCORE.INTRA.DIHEDRAL.0>
6.57303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.83274

>  <SCORE.INTRA.VDW.0>
-0.961707

>  <SCORE.INTRA.norm>
-0.187916

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.445417

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006542

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  187.7106  215.3140  254.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5025  214.8245  253.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2432  215.1598  252.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1367  216.0262  251.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1163  216.0049  250.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1296  215.1680  249.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2066  215.0009  248.5036 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0077  214.6222  250.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0539  214.6613  251.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9376  214.3079  252.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7878  213.8586  254.5797 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8015  212.5109  254.1426 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0472  211.8934  254.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6273  211.4339  255.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6109  211.9101  252.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8587  211.5216  252.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9053  211.8303  250.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6806  212.3716  250.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8838  212.4190  251.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2513  213.8739  253.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.0375  213.8812  255.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.9789  211.9411  254.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-110.13415349,-38.16990270,57.62448378,80.62330388,172.80128516,186.66130256
213.70586198,252.26235519,1.17521073,-0.91700030,1.87406426

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447050/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.44109

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-3.95891

>  <SCORE.INTRA.DIHEDRAL>
1.60723

>  <SCORE.INTRA.DIHEDRAL.0>
1.51533

>  <SCORE.INTRA.POLAR>
-0.839251

>  <SCORE.INTRA.POLAR.0>
-0.815103

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.90907

>  <SCORE.INTRA.VDW.0>
-1.49317

>  <SCORE.INTRA.norm>
-0.208363

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.286373

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000064

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  221.6117  185.9315  243.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6240  185.6306  244.6359 N   0  3  2  0  0  0  0  0  0  0  0  0
  220.9402  186.2138  245.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.7206  184.2012  245.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1039  183.2470  244.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6667  183.6489  243.7394 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.0776  182.6990  242.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6578  183.1077  242.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6149  184.5586  241.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1586  185.5253  242.8959 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.6031  185.1148  243.2536 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.2161  186.0511  244.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3599  185.4906  244.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0939  185.9721  243.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6052  186.4634  242.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3799  185.8806  245.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0761  186.4046  245.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4203  186.4426  246.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0530  185.9599  247.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3373  185.4105  247.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9930  185.3657  246.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  2 12  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  1  0  0  0
 11 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-67.19904084,-2.64628984,176.60645079,216.90750710,185.15281289,244.37666759
-0.39617034,-0.10097933,1.25241946

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447051/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.95184

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.448165

>  <SCORE.INTRA.DIHEDRAL>
-1.51516

>  <SCORE.INTRA.DIHEDRAL.0>
1.81308

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.309413

>  <SCORE.INTRA.VDW.0>
-0.19488

>  <SCORE.INTRA.norm>
-0.0224082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.397592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.054525

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  189.6657  208.0000  241.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5082  207.2885  241.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4853  205.9010  241.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6010  205.2250  241.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7700  205.9328  240.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8226  207.3106  241.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0665  207.8772  241.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4994  208.8751  241.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4668  209.7514  241.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0882  210.7240  242.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6718  210.9318  243.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6321  210.1520  244.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1716  209.0400  243.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3771  207.5354  244.5814 I   0  0  0  0  0  0  0  0  0  0  0  0
  194.4304  211.8320  244.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5321  211.1792  245.3017 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.0456  210.0209  246.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8127  210.1590  247.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8287  208.8335  245.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5608  210.6473  244.3595 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1376  209.5887  239.4117 I   0  0  0  0  0  0  0  0  0  0  0  0
  189.6048  203.1552  240.9858 I   0  0  0  0  0  0  0  0  0  0  0  0
  187.3670  205.2092  242.1471 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4977  208.1116  246.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2594  209.7064  244.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4025  210.4430  244.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.7003  205.8322  242.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <CHROM.1>
0.08694799,36.51164658,-153.32912845,-89.84224220,-58.12488046,-99.79289890
-86.28279312,-178.57632263,191.99545507,207.58129193,242.28689641,-2.80965571
0.85588503,1.43920276

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447052/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.54435

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-1.85565

>  <SCORE.INTRA.DIHEDRAL>
1.30929

>  <SCORE.INTRA.DIHEDRAL.0>
4.39373

>  <SCORE.INTRA.POLAR>
-0.155123

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.98288

>  <SCORE.INTRA.VDW.0>
-2.39966

>  <SCORE.INTRA.norm>
-0.0806805

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.414972

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000469

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  209.9855  186.3129  245.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9971  185.3307  246.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1884  185.1791  245.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3528  185.7494  245.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5840  185.6113  245.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6181  186.1599  245.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5224  184.8210  243.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3399  184.1969  243.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1273  184.3158  244.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0842  183.7597  243.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3301  183.4738  242.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4111  183.3546  241.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5473  183.9788  241.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6539  184.7182  243.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6175  184.4134  246.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
94.97813072,213.28158918,184.79727555,244.20227044,2.43769441,0.18590745
0.96246664

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447054/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39704

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-1.00296

>  <SCORE.INTRA.DIHEDRAL>
0.0117103

>  <SCORE.INTRA.DIHEDRAL.0>
0.473419

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.00881

>  <SCORE.INTRA.VDW.0>
0.603018

>  <SCORE.INTRA.norm>
-0.0716397

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.385503

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003326

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  215.1824  178.2448  250.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0713  179.6909  250.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0366  179.7593  251.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8612  178.4096  252.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2821  177.4415  251.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9123  178.6052  253.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7505  178.2445  253.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5469  179.2845  254.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1729  177.9423  252.9704 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8819  179.3850  255.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.0578  176.9741  253.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.3619  178.4603  253.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
105.61738669,-169.82787925,179.05396607,215.42487652,178.62453973,252.42709582
1.52278673,0.04752385,-1.57309557

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447055/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.69365

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.706352

>  <SCORE.INTRA.DIHEDRAL>
-1.38552

>  <SCORE.INTRA.DIHEDRAL.0>
2.3411

>  <SCORE.INTRA.POLAR>
0.264545

>  <SCORE.INTRA.POLAR.0>
-0.479237

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.913044

>  <SCORE.INTRA.VDW.0>
0.507706

>  <SCORE.INTRA.norm>
-0.0784835

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.743739

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.060162

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  209.7955  196.3169  247.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0149  195.0610  247.1594 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4981  195.2918  247.1865 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.7604  193.9985  246.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2265  193.3001  247.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5258  193.6876  245.3644 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.4494  194.8921  244.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3884  195.4871  243.9498 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1584  195.2993  244.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5610  192.8268  244.8358 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0469  195.7311  248.4643 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4022  194.6784  245.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5872  196.5662  248.9672 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1515  196.0950  243.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4014  193.3221  244.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0844  195.8807  248.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3540  194.4524  245.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.6271  196.5901  249.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  1  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  1  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <CHROM.1>
69.11755254,-53.11442258,-177.15840782,62.75733401,102.53209017,178.55243102
-26.99187966,83.63004919,-59.40670046,178.80710495,207.58636961,194.87757183
246.36192747,-0.89365435,-0.44296504,-1.65691574

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447056/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.50788

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-13.9079

>  <SCORE.INTRA.DIHEDRAL>
-10.0088

>  <SCORE.INTRA.DIHEDRAL.0>
14.181

>  <SCORE.INTRA.POLAR>
-1.53643

>  <SCORE.INTRA.POLAR.0>
-0.229126

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.6796

>  <SCORE.INTRA.VDW.0>
1.42132

>  <SCORE.INTRA.norm>
-1.06984

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
-0.269837

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003859

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  194.0969  209.7937  262.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2776  209.3800  261.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2002  208.5205  260.6292 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2480  209.2334  259.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2669  210.1698  260.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7778  207.3102  260.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3947  206.3071  261.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3713  205.8540  261.9733 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2591  204.7141  261.3926 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.9244  203.8668  260.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5700  204.1790  262.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0797  205.7344  260.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2473  206.5864  261.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3579  207.4204  260.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2894  207.4147  259.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1397  206.5553  258.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0416  205.7230  259.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4128  208.2410  258.4386 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5477  209.1950  258.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3873  209.4850  260.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7462  209.9147  257.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8933  206.6189  262.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.4343  208.1254  257.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
103.23687357,-73.86961477,70.48280592,59.04708632,76.48568564,32.95520130
-68.98331845,2.70308670,191.26603091,207.25917339,260.40490603,-0.54156243
-0.38623069,-0.09448383

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447057/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.67437

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.638095

>  <SCORE.INTRA>
-4.72563

>  <SCORE.INTRA.DIHEDRAL>
2.8357

>  <SCORE.INTRA.DIHEDRAL.0>
1.96911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.14348

>  <SCORE.INTRA.VDW.0>
2.62596

>  <SCORE.INTRA.norm>
-0.22503

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.413065

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000139

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  202.7479  188.4268  253.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0759  188.8651  252.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4860  187.9648  251.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6837  188.3033  251.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3590  189.2577  251.5082 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0563  187.4270  250.1961 N   0  5  0  0  0  0  0  0  0  0  0  0
  207.3040  187.6959  249.5379 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.6962  188.8671  249.4201 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8662  186.7030  249.0735 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  3   6  -1   7   1   9  -1
M  END
>  <CHROM.1>
179.73643167,3.61732297,-179.35038602,-28.41461864,205.83385381,188.16973874
250.94536262,2.69782260,0.59708309,0.45708430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447066/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.30026

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-9.70026

>  <SCORE.INTRA.DIHEDRAL>
-19.4474

>  <SCORE.INTRA.DIHEDRAL.0>
20.9164

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0234575

>  <SCORE.INTRA.VDW.0>
1.67276

>  <SCORE.INTRA.norm>
-1.07781

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
-0.0333623

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  199.1099  195.3070  250.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0050  196.4514  250.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6687  197.6286  250.3539 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4211  196.1057  249.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2225  196.9714  249.6503 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <CHROM.1>
-179.99353739,200.49176635,196.52698585,250.20227808,-2.83223397,0.28795646
-0.08428121

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447067/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.6608

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-0.739201

>  <SCORE.INTRA.DIHEDRAL>
-1.22021e-05

>  <SCORE.INTRA.DIHEDRAL.0>
1.22882e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.739195

>  <SCORE.INTRA.VDW.0>
0.614351

>  <SCORE.INTRA.norm>
-0.14784

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.13216

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066552

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  202.1251  222.4187  249.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1123  221.7864  248.7185 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7066  221.5999  249.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9547  222.6238  248.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7747  224.4747  248.6271 Br  0  0  0  0  0  0  0  0  0  0  0  0
  199.1687  222.2863  246.4579 Br  0  0  0  0  0  0  0  0  0  0  0  0
  201.7082  220.7205  247.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5030  221.3177  246.7852 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0903  220.4055  245.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0095  219.6499  245.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8976  221.2626  244.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0545  219.4143  246.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
-73.48307673,-178.17034264,62.66392270,200.69033537,222.30966384,247.39278658
-2.32170598,0.43589735,-2.17070746

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447068/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.61259

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-0.787406

>  <SCORE.INTRA.DIHEDRAL>
0.190299

>  <SCORE.INTRA.DIHEDRAL.0>
1.41813

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.882555

>  <SCORE.INTRA.VDW.0>
2.47712

>  <SCORE.INTRA.norm>
-0.0656171

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.634383

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003651

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  217.8270  186.5644  233.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4731  186.0649  234.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0728  186.8938  235.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3627  188.3700  235.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4691  188.8274  234.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8819  188.0838  232.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1916  189.2193  236.4576 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2132  189.7071  237.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0990  189.0641  237.9091 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1437  187.6128  237.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4418  187.1527  237.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5076  185.6253  237.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3058  184.9933  238.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1082  185.5659  239.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1140  187.0902  239.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3531  191.4581  237.4405 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.2823  189.1625  236.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3331  191.7807  236.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
101.55196216,-59.70373236,-2.17273923,114.64853161,219.33722911,187.93271098
236.55805186,3.13440092,-1.02791335,0.39292846

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447069/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12023

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-2.27977

>  <SCORE.INTRA.DIHEDRAL>
-2.23417

>  <SCORE.INTRA.DIHEDRAL.0>
3.73609

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.16269

>  <SCORE.INTRA.VDW.0>
-1.59234

>  <SCORE.INTRA.norm>
-0.142486

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.445014

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000751

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  199.6965  220.5218  248.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4861  219.9068  247.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9387  218.4653  247.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7728  217.8634  246.3226 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2178  218.3982  246.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2205  217.7200  246.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2797  219.7213  246.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8067  216.3947  246.4460 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2299  221.9490  248.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3585  222.9607  248.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6476  222.8185  246.9413 P   0  0  0  0  0  0  0  0  0  0  0  0
  202.0843  224.2679  247.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5969  221.9567  247.9556 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8661  222.6840  245.7207 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1929  220.0626  245.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3519  216.0227  245.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.8704  216.0069  246.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8325  221.0972  247.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8842  221.7348  245.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <CHROM.1>
-178.38291225,-77.35371691,-177.94201170,75.60560944,117.32216200,178.89927041
-175.78935303,69.18272374,157.47681756,123.96387616,-95.82655276,201.78528957
220.61984278,247.01682635,1.80821558,0.45207767,0.05948801

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447070/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59664

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.957143

>  <SCORE.INTRA>
-8.80336

>  <SCORE.INTRA.DIHEDRAL>
0.408168

>  <SCORE.INTRA.DIHEDRAL.0>
7.21548

>  <SCORE.INTRA.POLAR>
-2

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.20744

>  <SCORE.INTRA.VDW.0>
-0.190198

>  <SCORE.INTRA.norm>
-0.628811

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.328331

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047971

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 30  0  0  0  0  0  0  0  0999 V2000
  188.8642  211.0114  246.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7771  211.8014  246.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1650  212.0686  248.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0809  212.8676  249.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3848  213.2021  250.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6368  214.0984  250.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1863  213.9656  251.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6691  211.8516  251.3988 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8163  211.9372  252.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9325  211.6538  253.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1566  211.7301  255.0770 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3362  212.6686  255.3827 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.2868  212.8637  256.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8102  212.8063  257.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3216  213.2004  258.1993 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0126  212.2127  255.9966 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.0971  211.0693  256.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3239  210.4762  255.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9914  210.5453  255.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2460  209.8690  254.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7256  210.8850  253.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1952  210.2008  251.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8639  211.2034  250.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7535  211.4055  250.2482 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9546  211.8717  250.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2360  213.9391  254.7402 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6915  210.8622  251.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7743  212.5159  249.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2474  213.8282  253.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.8137  211.2664  251.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
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-122.77085940,-62.60412106,-66.60384361,-114.12053773,-108.16708300,169.60178385
-171.78817702,-116.31678847,179.30880268,186.95632591,211.95648323,252.63398042
-1.98828283,0.32611652,1.60817663

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447072/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.71484

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-5.28739

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-0.99891

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
1.46142

>  <SCORE.INTRA.norm>
-0.395747

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.248698

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004711

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  220.6195  179.0878  242.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0845  179.1736  241.7597 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2321  179.4919  243.9901 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4230  178.5759  243.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6001  179.2847  244.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.0554  178.3110  242.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99601011,0.01056202,220.56310227,179.07271335,242.97107809,-1.57053184
0.42470313,1.45871211

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447074/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
8.78933e-07

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.00463966

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.34536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.107718

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  190.5405  225.5447  254.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4414  226.6165  254.2980 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.0838  225.9167  254.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6391  224.9193  255.1054 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.3810  225.4098  255.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4285  226.5118  256.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2251  226.2960  257.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9663  226.9865  259.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0772  228.0751  259.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3962  228.3985  257.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5273  227.5877  256.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4853  226.5397  260.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3641  225.2133  260.7703 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.7952  226.8489  260.6907 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.8078  227.1586  261.5085 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.5594  225.1858  257.8678 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.3277  223.6405  254.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8740  222.3800  255.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8023  221.0739  254.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6230  220.3065  254.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6164  218.9969  253.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7804  218.4460  253.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9368  219.2174  253.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9470  220.5244  253.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7357  222.1902  256.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1323  222.0581  256.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8873  221.9248  257.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2599  221.8932  258.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8708  221.9788  258.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1144  222.1328  257.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4240  227.4724  255.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4369  228.4922  255.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2844  229.3518  256.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4608  230.4487  256.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2198  231.3872  257.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8216  231.2373  258.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6803  230.1593  258.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9107  229.2208  257.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3047  229.9728  260.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3435  229.7157  261.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1820  230.0972  261.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8643  229.1098  262.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2292  228.9939  263.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
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 40 41  2  0  0  0  0
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M  END
>  <CHROM.1>
56.86658472,177.27664896,117.50712455,-77.06543541,178.05183893,-56.91231504
-44.92217677,-170.36901908,-127.12698751,-57.05642241,179.81086004,171.21657900
63.39216869,-25.98038889,177.37394596,187.77934976,225.69223106,257.34407978
-2.53722483,1.51186851,1.47537582

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447090/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.98252

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.1054

>  <SCORE.INTRA.VDW.0>
-1.5327

>  <SCORE.INTRA.norm>
-0.248035

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.21387

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002787

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  223.9661  187.1885  248.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6312  186.5673  246.9534 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.6513  186.1703  246.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0180  186.4217  246.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9788  185.9983  245.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5984  185.2575  244.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2606  184.9654  244.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2825  185.4210  244.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9963  184.9385  244.8196 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8221  185.8072  245.1797 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.2937  186.6079  246.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5510  187.3986  247.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9010  184.9120  244.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6107  183.6518  244.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7142  183.2035  245.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9219  183.7109  245.5620 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4396  182.3658  246.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2852  182.0646  247.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5167  182.4309  247.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3493  181.8718  249.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5634  182.8729  244.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7114  183.3806  243.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5213  181.6069  244.5285 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4659  180.8027  243.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1492  185.2703  242.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5886  186.2098  242.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8892  184.2892  242.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0927  184.6148  240.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1425  187.0289  244.7040 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2051  187.9121  244.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  6  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-31.73496226,-85.04640660,-12.75930670,-0.33226687,170.87273145,177.51269028
178.87055857,222.19101673,184.67440501,245.12705614,-0.09903820,0.68611971
2.10997361

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447091/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.31155

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-14.7116

>  <SCORE.INTRA.DIHEDRAL>
-14.0708

>  <SCORE.INTRA.DIHEDRAL.0>
28.3662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
5.99661e-05

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.67645

>  <SCORE.INTRA.VDW.0>
11.9645

>  <SCORE.INTRA.norm>
-0.490385

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.0770518

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002465

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  209.0150  185.6463  241.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9686  186.2311  239.8564 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.3458  185.9249  240.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4979  185.4154  238.7357 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6209  187.7945  239.8386 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1573  188.6473  238.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8623  190.0288  238.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4143  190.9522  238.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3454  190.4633  237.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7150  189.0985  237.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0999  188.2170  237.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7508  188.5984  236.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0519  187.3550  236.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2853  189.4447  235.2550 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0059  192.4210  238.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1566  192.7981  238.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5358  193.2162  237.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.29255423,-178.25631257,0.18783616,179.63141798,210.70044719,188.70843983
238.34382704,1.78439642,-0.83004412,2.86598048

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447093/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.16592

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-3.23408

>  <SCORE.INTRA.DIHEDRAL>
-6.42668

>  <SCORE.INTRA.DIHEDRAL.0>
6.47603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0207415

>  <SCORE.INTRA.VDW.0>
-0.678221

>  <SCORE.INTRA.norm>
-0.19024

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.362701

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004364

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  167.9301  232.5406  254.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.7566  232.9292  255.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.5686  232.3894  256.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.5662  231.4574  256.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.7275  231.0679  254.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.9141  231.6100  253.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.4137  230.8453  257.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.8808  231.2470  257.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.0857  232.6892  257.3041 N   0  0  0  0  0  0  0  0  0  0  0  0
  171.4396  233.6380  256.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.7346  234.6553  257.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.0259  235.6013  256.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.3481  236.5102  256.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
  170.1564  235.3937  254.8374 N   0  0  0  0  0  0  0  0  0  0  0  0
  170.8773  234.3791  254.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.9519  234.2205  253.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
  171.5035  233.5404  255.1643 N   0  0  0  0  0  0  0  0  0  0  0  0
  173.0570  232.9352  257.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
  169.6716  236.0200  254.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
  172.0433  232.8007  254.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
-115.92259659,65.38981053,-58.32593020,127.23624751,170.14821742,233.26289002
255.66576794,1.59554210,0.80444665,2.95905076

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447094/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39172

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-4.00828

>  <SCORE.INTRA.DIHEDRAL>
0.0164045

>  <SCORE.INTRA.DIHEDRAL.0>
1.50214

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.01648

>  <SCORE.INTRA.VDW.0>
-0.0247449

>  <SCORE.INTRA.norm>
-0.235781

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.31716

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000391

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  214.2187  198.7587  247.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3089  198.3234  248.6829 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2676  199.1455  248.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0406  200.1965  248.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3631  198.6117  249.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7115  197.8634  251.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7718  197.4998  252.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5308  198.0113  252.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6180  197.9209  252.9853 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5811  198.7095  252.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8726  199.2864  251.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1055  198.7950  251.0114 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9006  199.0324  249.8009 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.2398  198.3645  248.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2215  196.5771  248.6595 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.0788  197.4129  251.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3084  196.0951  251.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5977  195.6773  252.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6503  196.5845  252.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4396  197.8924  251.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1517  198.3109  251.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9202  196.2269  252.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1075  196.9792  252.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9139  195.2971  252.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
1.60471906,33.21179767,-136.04447100,59.85197024,-0.09304678,211.68623825
197.87449905,250.56058588,-0.18278792,0.13687851,-1.23276422

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447095/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.97077

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-1.42923

>  <SCORE.INTRA.DIHEDRAL>
-4.67575

>  <SCORE.INTRA.DIHEDRAL.0>
14.442

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.908652

>  <SCORE.INTRA.VDW.0>
-1.53618

>  <SCORE.INTRA.norm>
-0.0649648

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.362308

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001121

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  196.1667  224.2098  256.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6877  223.1842  255.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8526  223.5600  253.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3219  222.6525  252.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4803  223.0320  251.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5499  221.3538  253.1823 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4079  220.8817  254.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6885  219.5222  254.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5606  219.0507  256.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1923  219.9642  257.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9086  221.3056  256.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9985  221.7906  255.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0213  219.7103  258.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9403  220.3037  259.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1776  219.4015  259.5678 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8184  218.0271  260.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7406  217.3802  259.4293 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3715  216.0743  259.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2048  215.4495  259.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8639  214.0307  259.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9604  216.3340  259.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8278  219.2382  258.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7345  217.7548  256.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1084  216.6728  255.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0806  218.6025  253.8411 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1559  218.8479  252.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0198  217.2994  258.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2186  218.7237  257.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
50.85940120,-48.55870757,113.13990894,-86.64891741,-63.68388491,53.00956932
-67.18035331,179.55848672,178.07363596,175.41652133,197.43681418,219.47432988
256.55910560,0.37360133,1.54090600,0.41935909

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447096/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.12175

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-11.2782

>  <SCORE.INTRA.DIHEDRAL>
9.01022

>  <SCORE.INTRA.DIHEDRAL.0>
4.40801

>  <SCORE.INTRA.POLAR>
-1.99927

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.98583

>  <SCORE.INTRA.VDW.0>
7.18759

>  <SCORE.INTRA.norm>
-0.433779

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.120067

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  197.3211  207.4293  247.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0810  207.0135  247.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4158  206.9996  248.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8730  207.9502  249.7336 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1953  207.5833  250.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4023  207.8021  251.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6269  207.5266  252.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6996  207.0130  251.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5153  206.8071  250.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2911  207.1070  249.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3118  206.5952  252.4156 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.4470  207.9298  253.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5873  205.6110  253.5072 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8358  206.2002  253.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9939  209.4307  249.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0303  209.9865  248.8724 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7811  210.0518  249.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7380  207.9642  250.7173 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4277  204.7383  253.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0167  205.2990  252.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1292  209.4273  249.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9937  208.6235  251.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7247  207.0530  251.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  6  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <CHROM.1>
-114.78625611,-143.86630874,-98.73305091,-177.77790586,-48.87976549,82.69446076
138.32876046,5.22631964,200.07328678,207.54470397,250.73217224,3.09795980
-0.61621358,0.33562397

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447097/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48907

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-1.91093

>  <SCORE.INTRA.DIHEDRAL>
-2.75726

>  <SCORE.INTRA.DIHEDRAL.0>
13.832

>  <SCORE.INTRA.POLAR>
-0.0660837

>  <SCORE.INTRA.POLAR.0>
-0.337829

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.307622

>  <SCORE.INTRA.VDW.0>
-1.49212

>  <SCORE.INTRA.norm>
-0.106163

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.471615

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.079442

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  200.0580  211.7770  257.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8723  210.7279  257.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4295  209.2669  257.3318 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9975  209.1698  256.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2001  210.2332  256.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6136  211.6512  256.8454 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.4118  212.3982  255.6628 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3587  208.4752  256.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7711  208.3342  256.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6417  209.2002  256.8916 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1676  206.9660  257.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4120  206.0175  257.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4597  206.9698  257.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3955  208.5661  258.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7657  209.1094  259.7529 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0071  207.2692  258.7067 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4650  212.3349  255.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7033  206.0716  258.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0201  206.8435  259.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  6  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
65.85686324,-4.38242397,-177.81902308,-76.97395839,-0.16120375,-178.79435180
178.23903801,200.95162976,209.08532895,257.39936712,-2.39633457,-0.28817063
2.59326602

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447098/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20137

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-3.19863

>  <SCORE.INTRA.DIHEDRAL>
-1.61687

>  <SCORE.INTRA.DIHEDRAL.0>
3.83143

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.39019

>  <SCORE.INTRA.VDW.0>
0.87681

>  <SCORE.INTRA.norm>
-0.199914

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.387586

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012697

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  208.2761  209.5864  249.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4449  209.5770  251.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6420  208.3189  251.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8260  207.2893  253.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2561  207.3662  255.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7149  208.1936  256.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6374  208.9486  257.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2343  209.4226  256.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2022  210.6182  256.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5530  211.0379  255.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9500  210.8310  254.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0998  210.1747  253.5711 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.5066  210.6486  253.8295 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.9044  211.8323  253.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1590  211.2306  251.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4396  209.7877  254.6366 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1489  208.4858  254.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9958  207.4090  255.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0535  208.8203  253.8242 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9120  209.8678  253.9703 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5795  211.1788  254.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0663  208.9717  253.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2465  211.8003  255.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9126  208.1266  257.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9568  207.6338  257.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7711  208.7487  258.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5474  208.7323  259.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 12 11  1  1  0  0  0
 12 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  6  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
1.11983414,66.78709455,-178.02331509,207.90372491,209.44268912,254.66764509
-2.16061605,-0.39920512,1.78405966

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447099/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.675

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-2.725

>  <SCORE.INTRA.DIHEDRAL>
-4.05356

>  <SCORE.INTRA.DIHEDRAL.0>
5.04551

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.698223

>  <SCORE.INTRA.VDW.0>
9.91719

>  <SCORE.INTRA.norm>
-0.104808

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.179808

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003872

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  197.3331  208.2126  253.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8432  208.4279  253.8842 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5452  207.1442  254.4878 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5521  205.9350  253.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3842  204.7703  253.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6780  204.5762  253.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5600  203.7392  254.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1416  203.0766  255.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8193  203.1617  255.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9357  203.9839  255.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2837  202.2029  256.2721 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.9643  207.3670  255.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2498  206.9260  256.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5189  207.1040  256.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5124  207.7632  256.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2682  208.1862  254.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0181  207.9531  254.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0471  208.0547  256.9551 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.4622  208.9799  252.6510 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2778  210.0980  252.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3683  210.8435  253.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0712  210.3450  251.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0074  210.5977  250.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7081  211.3724  249.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8592  212.0996  249.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8071  211.7019  251.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9418  209.2045  250.8905 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5256  207.9084  250.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3334  207.5984  250.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6565  206.8785  250.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6647  206.7718  251.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0837  205.4665  250.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3927  207.2966  249.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3209  208.4844  251.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9167  209.4191  250.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  6  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 35  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
65.80710222,129.86136641,172.22540905,128.12646245,-100.26561231,63.60223180
58.21221193,59.98591495,201.62101798,207.29307217,253.38517410,2.08964464
-1.15040018,-0.24297413

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447100/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.5929

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-3.8071

>  <SCORE.INTRA.DIHEDRAL>
-0.272908

>  <SCORE.INTRA.DIHEDRAL.0>
5.34955

>  <SCORE.INTRA.POLAR>
-0.0833038

>  <SCORE.INTRA.POLAR.0>
-0.494747

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.38741

>  <SCORE.INTRA.VDW.0>
-4.01512

>  <SCORE.INTRA.norm>
-0.115367

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.290694

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001897

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  182.6390  221.9756  241.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6887  222.3311  243.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0164  221.3353  244.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0673  221.7922  245.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3491  220.7697  246.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4099  221.3377  247.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7824  220.3978  248.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8389  221.1021  249.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3096  220.2743  250.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3571  221.0801  251.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8956  220.3279  252.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9251  221.1786  252.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4041  220.4545  254.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5263  221.1874  254.9975 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.7378  221.2829  254.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9315  222.3325  255.6567 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8206  220.0726  256.1248 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1287  219.2641  255.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.65333888,179.90152715,179.93858737,-179.82228161,-179.59851904,179.92252107
-179.85883881,-179.92886661,-179.69109162,-179.97783998,179.74229216,-68.41334324
59.06363846,188.79079417,221.12840039,250.29869646,-2.66362941,0.82039095
2.58017332

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447101/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.3322

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02353

>  <SCORE.INTRA>
-2.06782

>  <SCORE.INTRA.DIHEDRAL>
-3.59503

>  <SCORE.INTRA.DIHEDRAL.0>
3.65098

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.2703

>  <SCORE.INTRA.VDW.0>
-1.57772

>  <SCORE.INTRA.norm>
-0.121636

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.901893

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  197.4542  217.5823  253.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0445  217.9939  254.1992 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9600  217.0391  253.7160 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.7885  217.3816  254.6413 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4078  217.6710  255.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7947  218.0246  255.7132 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.0902  219.3825  256.3796 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7537  219.3660  257.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3402  219.2964  258.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4667  219.7541  256.2304 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9247  218.4960  254.3068 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5622  218.3895  254.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0075  219.5375  253.8193 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0550  220.4331  253.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1181  221.8110  253.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3265  222.4160  253.4926 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4147  221.6767  253.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4736  220.3638  254.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2559  219.7988  254.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0052  222.5894  253.2158 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3628  215.6706  253.9055 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0236  218.5367  257.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6461  219.8950  255.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3871  222.7202  254.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.5924  222.3533  252.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6585  215.0850  253.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  1  0  0  0
  4  5  1  0  0  0  0
  4 11  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  1  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.29568137,123.22908309,177.15429920,-69.59085003,64.95310044,52.62277484
68.74895127,194.22699042,219.22845475,254.74593221,0.47493167,0.60708059
-2.81448968

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447102/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.94897

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-5.45103

>  <SCORE.INTRA.DIHEDRAL>
-2.38439

>  <SCORE.INTRA.DIHEDRAL.0>
6.21738

>  <SCORE.INTRA.POLAR>
-0.767663

>  <SCORE.INTRA.POLAR.0>
-0.0171278

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.64879

>  <SCORE.INTRA.VDW.0>
-1.33701

>  <SCORE.INTRA.norm>
-0.259573

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.188046

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001985

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  196.5526  217.3674  262.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4050  217.6249  261.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7715  217.3398  261.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5806  217.5883  259.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0486  218.1365  258.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6738  218.4296  258.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8622  218.1696  259.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9388  218.4479  257.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4301  219.0007  256.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1214  219.4190  255.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3401  219.9384  254.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9196  220.3035  253.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2934  220.1608  252.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0779  219.6349  253.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4939  219.2521  255.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0778  220.5917  251.3437 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.8700  220.9155  251.7809 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.3326  218.1389  257.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4498  217.8393  257.8636 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <CHROM.1>
-178.63464382,178.25522276,199.80111687,219.13828543,256.02642381,1.86942206
-0.16905707,1.94447725

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447103/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.75906

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-3.64094

>  <SCORE.INTRA.DIHEDRAL>
-8.89035

>  <SCORE.INTRA.DIHEDRAL.0>
8.91452

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.804234

>  <SCORE.INTRA.VDW.0>
-0.62496

>  <SCORE.INTRA.norm>
-0.191629

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.197845

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000502

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  198.9482  205.8271  258.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1879  207.0699  257.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6740  206.9370  255.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9611  208.2223  255.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5397  208.0520  253.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7226  209.1023  252.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6219  209.4001  252.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7280  210.4038  251.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8909  211.1399  250.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9679  210.8682  251.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9257  209.8355  252.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0449  209.5370  253.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8182  208.4294  253.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2763  208.7627  252.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3597  209.0301  251.3882 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1054  208.1195  253.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7774  207.6032  253.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5267  206.9497  254.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7822  207.8517  256.0561 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7823  208.9249  256.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0986  210.2413  255.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9576  207.0511  257.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7256  207.7483  258.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.52729759,176.91610700,-179.73123157,-135.23454545,-178.51683855,81.52455626
174.14024695,-176.41140465,57.31060978,70.72067045,-91.49767388,157.89635982
197.38971911,208.52790215,254.29516117,-2.24318851,0.03079820,-1.09691573

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447104/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.933972

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.756522

>  <SCORE.INTRA>
-16.466

>  <SCORE.INTRA.DIHEDRAL>
-18.3175

>  <SCORE.INTRA.DIHEDRAL.0>
29.0951

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.30727

>  <SCORE.INTRA.VDW.0>
6.59978

>  <SCORE.INTRA.norm>
-0.715914

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0406075

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000438

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  200.8352  224.0541  257.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8633  224.1671  258.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6181  224.7541  258.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9907  223.9643  257.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8953  223.8404  255.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2122  223.3091  256.2667 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7630  222.2293  255.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1651  221.7101  254.6344 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1419  221.7314  256.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0036  220.2713  257.1555 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.7240  220.6918  258.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9213  221.2326  259.4435 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6980  221.5226  259.9895 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7464  221.1262  259.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3560  220.6505  257.9802 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6845  220.2056  256.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2382  219.1723  256.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7137  218.8694  254.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5794  219.5300  254.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9779  220.5021  255.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5378  220.8561  256.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3084  221.1232  259.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3875  220.2527  258.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0525  220.2402  259.1581 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6019  221.1031  260.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4240  221.9800  260.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7927  221.9907  260.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
98.94832496,-46.69225071,-94.05008050,-153.16621105,31.46796747,198.90082778
221.51685107,257.51446797,-0.44166191,0.46600537,0.84396529

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447105/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.73212

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-4.66788

>  <SCORE.INTRA.DIHEDRAL>
1.25679

>  <SCORE.INTRA.DIHEDRAL.0>
10.6033

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.29627

>  <SCORE.INTRA.VDW.0>
-2.10984

>  <SCORE.INTRA.norm>
-0.172884

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.212301

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000766

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  206.4850  199.2613  255.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1265  199.4635  254.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1405  199.1379  253.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5098  199.2441  252.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6299  198.6334  251.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8918  198.6440  249.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0343  199.2930  249.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9155  199.9200  250.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6464  199.9016  251.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5022  199.1423  247.6277 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.7526  200.2080  246.9911 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9529  199.1341  247.5927 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9398  197.7029  247.1419 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1398  196.5837  247.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9131  196.3878  249.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0568  197.1101  249.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6639  196.9355  250.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1931  195.9675  251.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1157  195.1688  251.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4717  195.3877  249.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5537  195.4197  247.2983 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1033  195.1878  247.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8632  193.6797  247.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5035  192.8832  246.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9206  193.1334  246.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2193  194.6170  246.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.65623253,166.16326934,86.89216328,-49.92520306,-35.37788801,-69.20599580
207.11732469,197.32585515,249.42670561,1.03813639,1.40845594,1.44262707

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447106/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.18867

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-3.21133

>  <SCORE.INTRA.DIHEDRAL>
-3.91935

>  <SCORE.INTRA.DIHEDRAL.0>
10.0452

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.25166

>  <SCORE.INTRA.VDW.0>
-2.40677

>  <SCORE.INTRA.norm>
-0.123513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.314949

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003777

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  220.1520  189.5164  241.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0846  189.6375  242.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7660  189.7927  243.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8159  188.6392  242.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4501  188.7886  243.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4993  187.6360  243.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1810  187.7907  243.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1116  187.9104  244.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <CHROM.1>
113.06845206,-179.84903137,179.92382460,179.80976151,-160.65479703,216.13256740
188.71395446,243.04779524,-0.08467565,-0.34873083,-2.55234844

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447108/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3994

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.3

>  <SCORE.INTRA>
-0.000639461

>  <SCORE.INTRA.DIHEDRAL>
0.000195192

>  <SCORE.INTRA.DIHEDRAL.0>
5.2297e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000737057

>  <SCORE.INTRA.VDW.0>
-0.607157

>  <SCORE.INTRA.norm>
-7.99326e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.29992

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019319

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  192.9734  222.6049  259.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5263  224.0251  258.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4303  225.0117  259.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7704  224.7657  259.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2340  223.3487  259.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3510  222.2645  258.9178 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3776  222.0933  257.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7066  221.7364  256.9821 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2979  220.5890  257.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7917  219.8220  258.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6658  220.4151  256.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5704  219.4838  257.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4138  218.4591  258.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7873  217.1374  258.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6210  216.1466  258.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0806  216.4765  260.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7112  217.7919  260.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8787  218.7840  259.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8578  215.2523  261.4053 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.9810  221.6724  255.7799 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.4939  222.5292  256.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2162  224.0870  255.6475 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-179.01064983,58.34158927,135.37092818,196.44194647,220.64464269,258.29410790
2.15942797,0.75071213,-0.73179607

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447109/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25006

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-2.14994

>  <SCORE.INTRA.DIHEDRAL>
-6.14862

>  <SCORE.INTRA.DIHEDRAL.0>
14.8205

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.924366

>  <SCORE.INTRA.VDW.0>
-2.52159

>  <SCORE.INTRA.norm>
-0.0977247

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.284093

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  198.0640  200.7784  238.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2661  200.1112  239.6740 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.5818  199.0273  240.5286 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3963  198.6473  239.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7943  197.5891  239.6936 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0949  199.7221  238.8748 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4895  197.9367  241.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8166  197.9335  242.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9451  197.0197  240.0958 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6607  195.9529  240.5455 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0165  195.0663  239.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7173  193.8474  240.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2275  193.6815  241.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8732  192.4917  241.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0159  191.4560  240.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5039  191.6171  239.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8599  192.7931  239.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6142  190.6347  238.6674 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0593  194.7021  242.4423 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.5370  195.8187  242.2066 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4829  194.3703  243.4866 O   0  5  0  0  0  0  0  0  0  0  0  0
  200.2873  199.6304  238.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9200  198.9620  237.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8805  198.5753  236.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2238  198.8573  236.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6084  199.5163  237.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6487  199.8950  238.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3239  199.6940  238.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5703  197.0014  239.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0807  189.8721  239.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  6  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <CHROM.1>
-43.70728868,105.60014645,176.26337482,-11.34051799,-0.04503940,200.66448679
196.50765199,239.94029903,2.30122920,0.88906415,-0.86574083

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447110/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.52374

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-1.87626

>  <SCORE.INTRA.DIHEDRAL>
-3.19031

>  <SCORE.INTRA.DIHEDRAL.0>
5.53158

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.281107

>  <SCORE.INTRA.VDW.0>
-2.20271

>  <SCORE.INTRA.norm>
-0.0694912

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.278657

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000651

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  202.3204  185.3307  252.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9362  184.3761  251.6191 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3079  184.4054  251.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9319  184.6200  250.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3222  184.6903  250.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1106  184.3356  251.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4950  184.1120  252.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1004  184.1656  252.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5946  184.2400  251.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2014  184.2116  252.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2342  184.1757  250.0404 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6993  184.1880  249.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1964  185.3359  249.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5591  185.3055  247.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0300  185.2327  247.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6334  184.0297  248.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1028  184.1548  246.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0248  183.0017  247.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5740  184.5005  245.7124 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.1349  184.7831  249.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2243  183.7107  248.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  1  19  -1
M  END
>  <CHROM.1>
-121.92817259,-112.11150230,164.52841909,54.20164350,207.55445654,184.41684839
249.83610529,2.64429084,-0.02762243,1.57406303

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447111/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.96538

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.43462

>  <SCORE.INTRA.DIHEDRAL>
1.14101

>  <SCORE.INTRA.DIHEDRAL.0>
8.46055

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.00512

>  <SCORE.INTRA.VDW.0>
4.53655

>  <SCORE.INTRA.norm>
-0.115934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.331685

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000252

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  197.0782  194.8015  245.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8597  196.0704  244.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2870  195.7946  244.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3905  196.4570  245.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2442  195.4463  246.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0985  195.6585  247.6036 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.5264  194.4987  248.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3026  194.3311  249.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2604  194.4675  248.3631 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.6445  195.7323  247.8008 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8075  194.4305  248.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9011  193.8540  247.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3930  194.8790  246.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7742  196.8737  248.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1323  196.8238  247.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7119  195.8347  247.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7479  197.9744  248.2448 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1499  198.1897  248.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6337  199.3762  248.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0144  199.5972  248.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9230  198.6403  248.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4563  197.4772  247.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0815  197.2593  247.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1390  198.6606  248.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-64.63301038,-1.62769295,-174.65239393,201.66214201,196.24553875,247.48871355
-3.12209711,0.42370411,1.96689536

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447112/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.16077

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-0.239228

>  <SCORE.INTRA.DIHEDRAL>
-0.371394

>  <SCORE.INTRA.DIHEDRAL.0>
0.565231

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0535304

>  <SCORE.INTRA.VDW.0>
1.70101

>  <SCORE.INTRA.norm>
-0.0104012

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.354816

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001327

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  200.0213  220.8662  251.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3366  220.7464  251.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2347  219.9207  251.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8476  219.2026  250.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5182  219.3211  249.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6137  220.1498  250.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2273  220.2590  249.9112 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.4631  221.0029  250.5424 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9022  219.6023  248.9136 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.8030  218.3165  249.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6543  217.5637  250.3046 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5823  216.6791  249.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4297  215.9331  250.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6108  214.8816  251.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4633  215.5309  252.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8896  216.2366  253.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7932  217.1083  253.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5686  217.3496  253.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5901  218.1708  253.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8314  218.8044  254.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0624  218.6131  255.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0352  217.7715  255.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3455  219.3090  256.8709 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.4690  220.0488  257.3323 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4478  219.1105  257.4024 O   0  5  0  0  0  0  0  0  0  0  0  0
  201.2727  216.7997  251.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5216  219.8097  251.7382 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0519  217.0152  250.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7945  214.8042  252.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.3125  216.5929  251.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.9009  218.9756  251.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  CHG  4   7   1   9  -1  23   1  25  -1
M  END
>  <CHROM.1>
157.49516937,40.94018514,179.21379883,-179.96911308,71.55509717,-57.56420672
-77.15569239,170.40103466,-7.57207950,144.46819770,201.86536303,218.47617945
252.32552592,2.36289204,0.66890400,-1.74748164

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447130/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.68384

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-6.71616

>  <SCORE.INTRA.DIHEDRAL>
3.30915

>  <SCORE.INTRA.DIHEDRAL.0>
1.60053

>  <SCORE.INTRA.POLAR>
-1.64281

>  <SCORE.INTRA.POLAR.0>
-0.862957

>  <SCORE.INTRA.REPUL>
0.000402627

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.78718

>  <SCORE.INTRA.VDW.0>
-0.503501

>  <SCORE.INTRA.norm>
-0.248747

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.24755

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  188.4201  217.6173  261.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7294  218.3067  262.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1743  217.8917  264.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3189  216.7999  264.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0065  216.1213  262.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5566  216.5203  261.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9412  214.7131  262.9628 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.8890  214.9680  263.9246 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6792  214.2492  261.6175 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1479  213.3105  263.8320 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.4495  218.5355  265.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0550  219.2740  264.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
0.14514199,39.01741615,187.04276986,215.76735467,263.22868820,0.12289733
-1.07421749,-1.33030971

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447131/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37343

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0265661

>  <SCORE.INTRA.DIHEDRAL>
-0.0583194

>  <SCORE.INTRA.DIHEDRAL.0>
1.22167

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00259366

>  <SCORE.INTRA.VDW.0>
-0.429259

>  <SCORE.INTRA.norm>
-0.0024151

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.579403

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001785

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  199.9312  216.6810  251.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7829  215.4702  251.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2891  214.2240  251.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0722  213.1131  252.1331 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4284  213.2315  252.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1450  212.2937  252.7478 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9500  214.4943  252.3069 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2263  215.6427  252.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7427  216.7463  252.3148 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4776  211.8112  252.3996 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1796  210.9613  251.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1596  209.9680  251.6990 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3470  210.8718  252.6381 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.2477  211.8877  253.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6211  210.1739  253.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7073  209.2043  253.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7296  208.7793  252.3190 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6424  208.6764  253.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7957  207.3303  253.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0217  206.6069  252.6981 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4098  207.4963  251.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9180  214.5987  252.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2866  208.7949  254.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
87.65267941,54.34310946,-59.07527692,179.56972026,200.35761416,211.71416444
252.47383308,1.21338025,0.03856073,-0.08610356

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447132/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.65543

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.74457

>  <SCORE.INTRA.DIHEDRAL>
-1.13151

>  <SCORE.INTRA.DIHEDRAL.0>
5.26767

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.17881

>  <SCORE.INTRA.VDW.0>
-1.10249

>  <SCORE.INTRA.norm>
-0.0830747

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.316925

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009641

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  190.6353  257.4452  273.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1831  257.7375  273.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5313  258.6572  272.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3447  256.4545  274.0366 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3391  255.5990  272.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4975  255.6506  271.8896 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3846  254.7237  272.7782 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3476  253.7938  271.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4654  252.7322  271.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5705  252.9727  271.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1631  251.4363  272.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9782  251.0564  272.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0254  249.7158  273.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2496  249.1491  273.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3196  250.1719  272.3424 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.7564  247.5692  273.5902 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.8582  255.7327  275.2356 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1075  254.2897  275.6932 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.6469  254.4925  277.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1984  253.9304  274.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4236  253.1076  275.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6443  253.4091  275.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6380  252.4280  275.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3990  251.1592  275.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1917  250.8732  276.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2036  251.8560  276.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5955  249.9301  275.4689 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.0952  256.2959  276.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-58.45578392,-92.22560255,-179.69563992,173.42770234,-176.86656520,-84.68824646
-1.69530312,-121.77884629,-15.29639243,189.81967221,252.77414277,273.97850023
-2.66209776,-1.17923235,2.07160373

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447133/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.23458

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-5.16542

>  <SCORE.INTRA.DIHEDRAL>
-2.71453

>  <SCORE.INTRA.DIHEDRAL.0>
8.99813

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.80815

>  <SCORE.INTRA.VDW.0>
-2.88472

>  <SCORE.INTRA.norm>
-0.191312

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.342022

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000565

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  190.5041  209.6978  263.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8847  211.0228  263.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8548  212.0550  263.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4519  213.3146  263.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3686  213.6194  264.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5703  214.2816  263.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5681  214.2676  264.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4620  214.9790  265.6751 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7306  213.3199  264.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4115  212.0544  264.9264 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.54486754,1.34478996,-79.86446962,-88.54387947,-82.98410633,191.51461272
212.81487125,264.20532837,-2.24814231,-0.26971957,0.21973688

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447134/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31113

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-4.08887

>  <SCORE.INTRA.DIHEDRAL>
-5.34889

>  <SCORE.INTRA.DIHEDRAL.0>
9.26762

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.41443

>  <SCORE.INTRA.VDW.0>
0.580952

>  <SCORE.INTRA.norm>
-0.408887

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.631113

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.161403

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  201.3635  216.7255  258.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9394  215.7571  257.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2135  214.6179  257.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9077  214.4450  257.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3251  215.4129  258.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0529  216.5545  259.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3900  217.7924  260.0303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.7052  215.1411  259.1966 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.8957  213.4042  256.3600 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.2183  215.9219  257.2882 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5891  216.7553  257.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
0.03777442,200.33569744,215.54351527,258.30076911,-2.37010578,-0.35458751
-2.60781220

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447135/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39928

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.54

>  <SCORE.INTRA>
-0.000723658

>  <SCORE.INTRA.DIHEDRAL>
-0.00208114

>  <SCORE.INTRA.DIHEDRAL.0>
0.00208251

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000316913

>  <SCORE.INTRA.VDW.0>
0.280793

>  <SCORE.INTRA.norm>
-7.23658e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.539928

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004415

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  215.1489  179.6377  242.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2328  178.8897  243.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4410  177.3916  243.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3858  179.4205  244.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4149  179.8012  244.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2458  179.3840  246.0195 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9526  179.2173  246.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4018  177.8184  246.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1617  177.4859  246.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8117  176.0955  245.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5363  175.7464  245.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2817  174.4391  245.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2953  173.4813  245.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5613  173.8124  245.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8103  175.1168  246.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0673  175.4677  246.5586 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3941  176.7337  246.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4631  176.9747  247.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3766  179.7218  246.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1881  180.1990  248.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2766  180.4964  248.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5703  180.3454  248.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7819  179.8859  247.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6893  179.5649  246.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9083  180.7190  249.5060 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.7677  174.7551  246.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-34.61306504,73.71291042,155.22257031,-127.42407179,216.03999208,178.09840854
246.32830106,3.13194442,0.72074384,2.12101993

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447136/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78941

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-2.61059

>  <SCORE.INTRA.DIHEDRAL>
-6.92398

>  <SCORE.INTRA.DIHEDRAL.0>
13.0472

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.851405

>  <SCORE.INTRA.VDW.0>
-1.28732

>  <SCORE.INTRA.norm>
-0.104423

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.271577

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000067

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  195.2107  213.6642  251.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5313  213.4328  252.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5204  214.1369  253.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8501  213.9063  254.8931 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8345  213.9926  255.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3405  213.0024  256.5087 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2579  213.3857  257.2793 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9753  214.6589  257.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0182  215.4908  256.0511 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.5382  215.3658  257.8256 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.2198  214.8397  256.6768 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8286  215.3021  257.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5749  215.2975  255.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3311  216.4369  254.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3246  214.3760  254.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5685  213.0785  254.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2364  212.1508  254.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6843  212.4975  252.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4701  213.8093  252.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7934  214.7443  253.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3309  211.5921  251.8494 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6219  210.2605  252.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4182  209.6823  253.1733 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2656  209.5179  250.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3200  209.5370  249.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6038  210.1393  250.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7346  214.3024  255.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.5973  211.9562  250.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.76977593,-155.08106033,113.49049471,-78.55694955,178.14094634,-83.25268515
5.34494001,-0.36218680,-60.15979428,192.10379064,213.42462282,254.31173639
-1.14980562,0.06922233,0.86383224

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447137/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.72216

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-6.67784

>  <SCORE.INTRA.DIHEDRAL>
-2.23736

>  <SCORE.INTRA.DIHEDRAL.0>
9.82542

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.55916

>  <SCORE.INTRA.VDW.0>
-0.369547

>  <SCORE.INTRA.norm>
-0.25684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.297006

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  193.6787  213.4078  260.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5210  214.6442  260.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9109  214.6046  260.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6489  215.7469  260.4855 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9858  216.9162  260.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6990  218.1105  260.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0460  219.3484  260.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6514  219.3805  260.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9333  218.1828  260.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5776  216.9527  260.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8500  215.8242  260.3085 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8745  220.5850  260.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0955  220.5882  260.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0892  221.6841  260.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7773  222.9302  260.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6078  223.2604  259.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1849  223.9921  258.2954 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8602  222.6851  259.1732 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8029  222.9028  258.0845 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1728  222.3437  258.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3482  222.3121  256.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8396  221.0027  256.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3631  220.4106  255.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3907  221.1377  254.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8793  222.4400  254.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3524  223.0310  255.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9283  220.5833  253.2794 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.7815  220.3017  257.8917 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.6943  213.3312  260.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0236  221.9093  259.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-0.89201715,175.30330020,71.83194094,97.08643482,170.10832535,-46.09958306
197.13432148,219.65593299,258.71893700,-2.82895880,1.10029836,0.73175339

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447138/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2523

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-1.14773

>  <SCORE.INTRA.DIHEDRAL>
-0.776981

>  <SCORE.INTRA.DIHEDRAL.0>
4.4923

>  <SCORE.INTRA.POLAR>
-0.215081

>  <SCORE.INTRA.POLAR.0>
-0.484865

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0279649

>  <SCORE.INTRA.VDW.0>
-1.26637

>  <SCORE.INTRA.norm>
-0.0395769

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.353527

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001136

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 32  0  0  0  0  0  0  0  0999 V2000
  229.8063  192.9308  238.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6915  192.8831  239.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3475  191.4412  240.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2365  191.3955  241.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8964  189.9540  241.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8003  189.9002  242.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4512  188.4535  242.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3569  188.3946  244.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0097  186.9469  244.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9188  186.8809  245.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5715  185.4296  245.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4916  185.3394  246.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1521  183.8787  247.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0855  183.7848  248.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7159  182.3338  248.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6576  182.3459  249.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1986  180.9794  250.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3458  180.3694  251.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5223  180.0502  250.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8131  179.3729  251.0135 P   0  0  1  0  0  0  0  0  0  0  0  0
  222.3816  180.1389  252.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3682  177.9038  251.4627 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9426  179.0748  249.8775 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7020  180.1910  249.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8549  181.2003  248.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3198  180.5932  247.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4699  180.2073  246.3785 N   0  3  0  0  0  0  0  0  0  0  0  0
  224.4659  179.2812  247.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8770  179.7856  248.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8796  179.4248  245.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1356  181.4538  245.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6520  177.9511  252.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  1  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
M  CHG  1  27   1
M  END
>  <CHROM.1>
179.46204938,179.75353947,179.49760390,179.56787986,179.76286642,179.62342667
179.66477305,179.52533103,179.37043286,-179.95345351,179.20670922,-179.44104822
179.17829055,-177.51436308,71.60560398,-64.85388455,-178.15316521,-56.46776283
-61.14475377,75.61061203,-65.71586098,223.23348338,183.69848850,246.73106669
-1.11118411,-0.52590803,2.70578948

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447139/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.182

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.819355

>  <SCORE.INTRA>
-7.218

>  <SCORE.INTRA.DIHEDRAL>
-10.644

>  <SCORE.INTRA.DIHEDRAL.0>
11.764

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.89602

>  <SCORE.INTRA.VDW.0>
-3.13675

>  <SCORE.INTRA.norm>
-0.232839

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.586516

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040484

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  192.5326  215.2691  254.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3655  216.1380  254.9965 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1257  216.4098  256.3925 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.8076  217.6652  256.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8085  217.8945  255.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3730  216.9317  254.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8658  216.8598  253.3748 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3126  218.5788  257.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2910  218.3646  258.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0003  219.8910  257.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3374  220.0920  257.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9168  221.3570  257.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1864  222.4154  257.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8798  222.2078  258.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2856  220.9502  258.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7100  215.3369  257.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0124  214.9588  258.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5671  214.0475  259.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8312  213.5099  259.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5380  213.8716  257.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9825  214.7746  257.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-142.85947331,-21.41995090,194.06298241,217.48200465,256.98513040,-2.81284842
1.49902563,1.35356031

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447140/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93238

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-0.467623

>  <SCORE.INTRA.DIHEDRAL>
-2.62276

>  <SCORE.INTRA.DIHEDRAL.0>
4.89222

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.843757

>  <SCORE.INTRA.VDW.0>
-1.40443

>  <SCORE.INTRA.norm>
-0.0222677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.330113

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.187933

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  220.2699  189.4434  248.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2068  190.3189  248.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8735  191.3327  247.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9133  192.3023  246.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7292  193.3132  245.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9676  194.3926  244.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8427  195.3296  244.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8689  191.5114  245.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6524  191.5613  245.9263 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4272  190.7317  244.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5366  189.9357  243.8786 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.5141  189.0915  243.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1320  189.8776  241.8598 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.7236  191.2792  242.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5202  192.2144  242.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2898  191.3678  241.8169 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.6094  190.7596  243.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9370  190.2707  240.9112 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.0046  189.1408  240.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3434  190.9158  239.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
179.76232492,177.03365882,-177.83518192,117.24330361,-179.31138188,-178.89706793
-173.01617746,218.51835731,191.25604526,244.03666894,0.71473868,1.27970376
2.23293995

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447141/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.83127

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-5.56873

>  <SCORE.INTRA.DIHEDRAL>
-5.86782

>  <SCORE.INTRA.DIHEDRAL.0>
6.96693

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.63482

>  <SCORE.INTRA.VDW.0>
-0.00874197

>  <SCORE.INTRA.norm>
-0.278436

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.341564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028974

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  223.0899  188.5768  246.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2457  187.8459  244.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8963  187.2484  244.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8145  188.6609  243.6581 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1300  189.9222  243.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5136  190.3399  241.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9484  190.5803  241.5281 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.2444  190.5414  240.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7289  190.8058  239.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1849  192.1345  240.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8024  192.2184  241.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3225  191.9005  242.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2215  188.7883  243.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0001  188.0363  242.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3845  188.1966  242.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9788  189.1061  243.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1573  189.7976  244.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8145  189.6461  244.5265 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-57.08713392,-158.63035187,103.09990149,-59.21264963,161.62799539,225.20415174
189.70094731,242.85885403,-2.17903442,-0.06050944,-0.92321001

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447142/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.48407

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-3.91593

>  <SCORE.INTRA.DIHEDRAL>
-1.34124

>  <SCORE.INTRA.DIHEDRAL.0>
2.98304

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.24531

>  <SCORE.INTRA.VDW.0>
1.0857

>  <SCORE.INTRA.norm>
-0.217552

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.360226

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001887

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  209.0293  191.4964  239.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3063  191.0899  238.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2812  192.0033  237.5581 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6254  191.8294  236.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1797  190.9609  235.5133 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5825  192.9158  235.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7158  192.9784  236.7397 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8659  193.6073  237.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1446  193.5590  238.2680 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7744  192.8817  237.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9147  192.5358  236.3100 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8606  194.2524  238.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9644  194.6891  240.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7278  195.2853  240.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9237  195.1853  239.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5954  194.5396  238.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5375  195.5444  238.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6914  195.7880  240.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3325  196.0603  239.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7905  196.0961  238.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6163  195.8938  237.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9995  195.6403  237.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7910  195.4903  236.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0193  196.0728  236.3810 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.9914  194.1816  236.0834 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.1356  196.0314  235.3406 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-177.54269071,-0.81161182,54.07752198,-84.37856793,168.29488917,-16.46992827
-40.99318592,210.12011631,194.08062999,237.69696408,-0.41536432,-0.36196933
1.02297239

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447143/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4502

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-5.9498

>  <SCORE.INTRA.DIHEDRAL>
-9.76568

>  <SCORE.INTRA.DIHEDRAL.0>
15.53

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
3.59014e-05

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.06714

>  <SCORE.INTRA.VDW.0>
-3.28428

>  <SCORE.INTRA.norm>
-0.228838

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.248085

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000225

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  197.5136  209.3167  255.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9575  209.7811  256.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1616  211.1496  255.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5900  211.6109  255.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3188  211.7793  254.5024 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5948  212.1684  254.7304 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5901  211.1838  254.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3181  210.7487  253.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2592  209.7206  253.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4771  209.1010  255.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7619  209.5183  256.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8279  210.5521  256.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8170  213.0874  255.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-179.96392335,115.68614595,90.76513741,91.90731791,202.17285712,210.56523258
255.18757975,-3.11903847,0.14340013,-0.42609139

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447144/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.46001

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-0.93999

>  <SCORE.INTRA.DIHEDRAL>
-0.123433

>  <SCORE.INTRA.DIHEDRAL.0>
2.18893

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.878273

>  <SCORE.INTRA.VDW.0>
-0.258241

>  <SCORE.INTRA.norm>
-0.0783325

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.705001

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000296

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  212.9470  181.5649  246.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2412  181.2025  247.0363 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3754  180.5680  248.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4394  180.2214  248.9424 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6840  180.3589  248.4907 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9481  179.6804  249.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5318  180.4809  250.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7491  180.0322  251.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0566  178.8022  252.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1058  179.3299  253.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6713  180.6892  253.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5429  181.0542  252.8204 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2006  182.1770  252.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8432  181.8650  251.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6854  182.8104  250.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0463  183.1949  249.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8916  183.8907  249.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3503  184.2019  250.3616 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4024  184.1853  248.0738 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1597  184.8829  247.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1896  183.4034  253.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5601  183.6904  254.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8673  185.0296  254.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6664  185.4941  253.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8749  184.5225  252.7814 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0945  181.5029  246.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.9470  183.8681  247.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.34709435,-64.66203159,129.36801177,0.87051110,69.65647103,63.40900202
-0.76038573,214.74530679,182.14518979,250.77802574,-2.29613415,1.41900071
2.04970559

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447145/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.84664

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-7.55336

>  <SCORE.INTRA.DIHEDRAL>
-12.2304

>  <SCORE.INTRA.DIHEDRAL.0>
15.0998

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.43814

>  <SCORE.INTRA.VDW.0>
-2.38246

>  <SCORE.INTRA.norm>
-0.302134

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.193866

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  197.2341  203.5067  250.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0877  204.3284  252.0543 Si  0  0  0  0  0  0  0  0  0  0  0  0
  195.5270  204.1410  252.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9465  204.4132  254.2003 Si  0  0  0  0  0  0  0  0  0  0  0  0
  195.6017  203.3638  254.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4712  205.8589  254.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7876  206.3515  255.7361 Si  0  0  0  0  0  0  0  0  0  0  0  0
  198.1630  205.5795  255.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6829  204.0264  254.7764 Si  0  0  0  0  0  0  0  0  0  0  0  0
  198.2000  203.7272  253.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0151  202.7682  256.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5365  203.8677  255.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5218  205.8536  257.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9833  208.2118  255.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2203  204.0241  254.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6258  204.5015  255.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3854  204.0242  256.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7106  203.0613  255.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2795  202.5845  254.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5187  203.0629  253.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3514  206.1778  251.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-166.16848436,195.99647068,204.58077952,254.39280463,0.05598911,-0.21400083
-2.01187238

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447146/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.99024

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.40976

>  <SCORE.INTRA.DIHEDRAL>
-0.496518

>  <SCORE.INTRA.DIHEDRAL.0>
1.41727

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.161501

>  <SCORE.INTRA.VDW.0>
-0.491369

>  <SCORE.INTRA.norm>
-0.020488

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.299512

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014576

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  4  3  0  0  0  0  0  0  0  0999 V2000
  191.0918   92.7295  328.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2779   91.3589  327.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4986   89.9460  329.4414 Hg  0  0  0  0  0  0  0  0  0  0  0  0
  191.7468   88.3565  331.1407 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <CHROM.1>
60.00130935,191.49707693,89.96601873,329.53842227,2.58936143,1.42919466,-1.66417994

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447147/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.0087

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-0.391296

>  <SCORE.INTRA.DIHEDRAL>
-0.78259

>  <SCORE.INTRA.DIHEDRAL.0>
0.78259

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.40322e-06

>  <SCORE.INTRA.VDW.0>
-0.0520688

>  <SCORE.INTRA.norm>
-0.0978241

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.50218

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042929

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  194.3606  217.5082  250.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6748  217.0182  251.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4572  216.6317  252.4610 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4163  216.6236  253.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6905  215.5948  254.5490 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6541  215.6529  255.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0580  214.7249  256.6020 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0876  216.8694  256.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8121  217.8759  255.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0242  217.8358  254.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2395  219.1031  256.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9944  219.2376  257.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2962  218.2120  258.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8371  217.0211  257.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0804  216.1446  258.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2814  220.6846  258.0738 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.9238  215.8913  252.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-156.45482725,-91.61862716,192.97558204,217.56881278,255.74960331,0.64863609
1.15533729,-1.09440206

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447148/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.80528

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.594717

>  <SCORE.INTRA.DIHEDRAL>
0.0677261

>  <SCORE.INTRA.DIHEDRAL.0>
0.803509

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.62858

>  <SCORE.INTRA.VDW.0>
0.18232

>  <SCORE.INTRA.norm>
-0.0371698

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.42533

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000563

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  197.1891  208.4017  238.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8870  208.2413  239.0366 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8383  208.1799  238.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8193  207.0258  239.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7645  207.0361  240.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9194  208.1626  242.0344 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8624  209.5697  241.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0102  210.3792  241.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9909  211.6555  240.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8216  212.1463  240.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6697  211.3634  240.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6901  210.0877  240.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8853  207.9362  243.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3020  207.5730  244.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3429  207.3013  245.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9956  207.4054  245.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6606  207.7749  243.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5673  208.0301  242.8191 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
157.14780234,-59.80364330,59.18876159,-112.42549452,111.80105004,194.48838528
208.76451646,241.48941883,-0.40958541,-1.02405855,3.02289786

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447149/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.1483

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-1.2517

>  <SCORE.INTRA.DIHEDRAL>
0.703884

>  <SCORE.INTRA.DIHEDRAL.0>
1.59834

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.60364

>  <SCORE.INTRA.VDW.0>
-1.2765

>  <SCORE.INTRA.norm>
-0.0695389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.508239

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004211

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  216.5296  185.4695  252.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0312  186.8854  252.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5079  186.8894  252.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0963  188.5845  252.8852 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.9588  189.3989  254.4780 P   0  0  1  0  0  0  0  0  0  0  0  0
  219.2866  188.5513  255.7812 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.5050  191.1484  253.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8213  190.2132  256.0709 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.7006  188.9976  256.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4495  187.8149  257.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9085  187.7598  258.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6373  186.8758  256.3749 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3909  185.7238  256.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4931  184.8085  255.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  6  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
178.78406928,61.24613249,84.98969766,-58.43961657,60.05251853,87.14146855
177.45688924,-179.79603637,217.66973304,188.14244909,255.02803375,0.73724171
-1.19183739,-2.53727283

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447150/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.65249

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.957143

>  <SCORE.INTRA>
-5.74751

>  <SCORE.INTRA.DIHEDRAL>
-5.82494

>  <SCORE.INTRA.DIHEDRAL.0>
7.48219

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.83504

>  <SCORE.INTRA.VDW.0>
-0.631033

>  <SCORE.INTRA.norm>
-0.410536

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.546607

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035801

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  210.4227  191.0584  247.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4854  190.1270  246.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8267  189.0090  247.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0016  188.3019  246.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8483  188.7175  244.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5180  189.8473  244.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3393  190.5476  245.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1440  191.7328  245.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7953  192.0586  246.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6286  193.1615  246.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8078  193.9441  245.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1625  193.6310  244.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3254  192.5138  244.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7968  195.4174  245.3995 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.9479  195.1214  246.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9364  195.9682  244.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8411  196.4800  246.3110 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2898  197.8831  246.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5728  197.9998  247.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3228  197.5194  248.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8600  198.2003  249.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6680  196.2232  248.7737 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5848  196.0251  247.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0431  195.7889  247.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
40.57539428,-170.05285082,-69.46865535,-60.44792810,-84.53917610,1.15479921
211.36957402,193.72127428,246.19878509,2.96105199,-1.04700741,-1.58025360

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447151/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.95372

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-5.44628

>  <SCORE.INTRA.DIHEDRAL>
-0.34205

>  <SCORE.INTRA.DIHEDRAL.0>
3.87508

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.87525

>  <SCORE.INTRA.VDW.0>
0.350164

>  <SCORE.INTRA.norm>
-0.247558

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.225169

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015919

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  200.5250  197.0271  248.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1999  197.1163  248.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4583  198.2904  248.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0581  199.3517  248.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3767  199.2643  247.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1247  198.0972  247.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5291  197.9804  247.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6055  198.2075  248.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2534  197.1232  248.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3214  197.3373  249.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7508  198.6365  250.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1007  199.7127  249.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0287  199.5045  248.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9427  198.8720  250.8278 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0977  195.9563  250.4949 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.1855  200.8201  247.7994 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.0870  198.2865  249.1008 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7427  198.3800  250.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8679  198.7856  251.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8375  198.8165  249.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4966  198.4916  248.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <CHROM.1>
109.45017925,-81.68992565,99.25301155,49.99504180,202.19832872,198.34361612
248.92773994,2.85375176,-0.18531138,-0.23890242

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447153/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27046

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-1.12954

>  <SCORE.INTRA.DIHEDRAL>
-0.646975

>  <SCORE.INTRA.DIHEDRAL.0>
2.79426

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.806054

>  <SCORE.INTRA.VDW.0>
-1.2087

>  <SCORE.INTRA.norm>
-0.0664436

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.486498

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000469

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  217.8660  181.9684  252.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1761  181.3116  253.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7664  181.9707  254.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1376  181.1791  256.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7468  181.6837  257.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9988  179.7282  255.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4361  179.2154  254.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0193  179.9413  253.6268 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8933  183.3361  255.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5335  183.5861  255.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.91602072,216.68024829,181.20859908,254.83411282,-0.30522120,1.11144550
0.33933777

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447171/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.60856

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.791445

>  <SCORE.INTRA.DIHEDRAL>
-0.0693226

>  <SCORE.INTRA.DIHEDRAL.0>
0.0693345

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.756783

>  <SCORE.INTRA.VDW.0>
0.79775

>  <SCORE.INTRA.norm>
-0.0879383

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.512062

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006635

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  199.5765  202.6520  252.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7580  203.0251  253.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3892  202.7943  255.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0441  202.2501  253.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5981  202.6096  251.7755 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9593  204.0793  251.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0694  204.5945  252.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5261  205.8737  252.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8493  206.6623  251.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6810  206.2094  250.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2519  204.9154  250.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9543  207.0073  249.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6085  206.7401  249.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9356  207.4712  248.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5906  208.4979  247.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9173  208.7854  247.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5922  208.0408  248.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7649  201.7103  251.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1044  200.7335  252.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4309  202.0881  250.2116 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5997  201.3843  249.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3108  202.1114  248.5741 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6509  203.5682  248.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4380  204.4133  249.0049 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8835  204.9881  247.5040 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.9216  206.4304  247.6073 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6388  204.3119  246.4706 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1655  204.4773  247.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2814  205.0637  246.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9712  204.5927  246.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6079  203.5601  247.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5700  203.0380  248.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8434  203.4780  248.3133 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4914  201.3720  248.2321 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0599  202.8404  249.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4758  205.1950  249.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9099  201.8181  247.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <CHROM.1>
65.64818673,59.78633846,70.66307835,7.56888145,-160.74168758,-170.53332546
53.72074584,-71.56626761,177.42622742,-81.60512348,-120.11968645,162.36619920
203.20284025,204.34863431,249.60199751,1.57125559,-0.59860949,2.27335225

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447172/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87206

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.482353

>  <SCORE.INTRA>
-10.5279

>  <SCORE.INTRA.DIHEDRAL>
2.1129

>  <SCORE.INTRA.DIHEDRAL.0>
6.44889

>  <SCORE.INTRA.POLAR>
-1.35838

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0807246

>  <SCORE.INTRA.REPUL.0>
0.0807246

>  <SCORE.INTRA.VDW>
-6.56229

>  <SCORE.INTRA.VDW.0>
-3.61183

>  <SCORE.INTRA.norm>
-0.309645

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.172708

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003861

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 41  0  0  0  0  0  0  0  0999 V2000
  196.6042  220.6436  244.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3521  221.9121  245.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1200  222.6035  244.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2574  221.8026  246.5208 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3182  220.8527  247.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0011  219.7283  247.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2193  219.9045  248.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9189  218.8099  249.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3689  217.5310  249.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1185  217.3557  248.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4338  218.4460  247.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1619  219.0859  249.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5522  220.5726  250.2806 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.8007  220.4640  251.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3789  221.5655  249.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2768  220.9490  251.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5719  219.8839  252.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4988  220.1477  252.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1236  221.4646  253.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8168  222.5437  252.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8989  222.2755  251.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3943  223.9670  252.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0764  224.8969  252.1878 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.0771  224.1825  252.6454 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.5761  224.3082  254.2185 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.0550  222.7295  247.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8636  223.4543  246.6348 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8738  222.7922  248.5897 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3456  224.0068  249.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0186  224.1546  249.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5828  225.4140  250.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4399  226.5182  250.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7564  226.3620  249.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2088  225.1141  249.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8735  227.6725  250.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6886  228.5270  251.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0423  223.1951  249.6163 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3816  221.9704  250.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7211  222.5022  249.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 37  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
-53.58343746,113.94138914,34.19076261,25.73367351,168.11921264,22.28690354
-174.09391554,-114.63331491,104.48256600,49.92484587,143.44104730,196.76128614
222.33847482,249.71865301,1.03300249,1.14167701,-2.10813404

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447173/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.40407

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.431579

>  <SCORE.INTRA>
-10.9959

>  <SCORE.INTRA.DIHEDRAL>
3.60409

>  <SCORE.INTRA.DIHEDRAL.0>
7.87146

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.39797

>  <SCORE.INTRA.VDW.0>
0.741742

>  <SCORE.INTRA.norm>
-0.289366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.142212

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  215.4064  187.4615  249.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5491  186.4834  249.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8261  185.7523  248.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9308  184.8966  248.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7606  184.7590  249.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4861  185.4493  250.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3779  186.2966  250.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0466  186.9846  251.9483 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7526  186.7962  253.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4250  187.3293  254.1772 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9452  185.9389  253.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3238  185.3021  251.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5692  184.5130  252.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5048  184.5842  250.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6613  183.8044  251.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8898  182.9510  252.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9645  182.8781  253.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8070  183.6581  253.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9372  185.9144  247.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4685  185.9191  246.1091 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4233  186.5479  245.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7652  186.7387  246.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7652  186.3403  245.4534 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6941  187.9562  246.6883 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8342  188.8343  246.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6829  188.4833  247.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2253  188.6649  249.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9390  188.3526  250.3737 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1668  187.8259  250.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7159  187.6003  248.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9598  187.9332  247.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9300  188.0942  247.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
143.51241185,43.11302084,-161.99076755,135.00574521,-86.04967127,-67.42104790
218.82554018,186.26439797,249.69406105,2.12568962,0.29997673,-1.35784379

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447174/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.73508

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-3.66492

>  <SCORE.INTRA.DIHEDRAL>
-0.27875

>  <SCORE.INTRA.DIHEDRAL.0>
8.25601

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.52555

>  <SCORE.INTRA.VDW.0>
-2.7606

>  <SCORE.INTRA.norm>
-0.118223

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.249519

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001899

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  200.2491  208.6640  254.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1678  207.7009  254.2556 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3253  207.0582  252.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2343  206.0214  252.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8570  206.6566  252.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6672  207.4133  254.1321 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8624  208.3663  254.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3559  208.2411  254.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1343  209.3287  253.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1420  210.4699  253.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2752  211.1342  254.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2691  212.0885  254.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1292  212.4357  253.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9732  211.8424  252.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9849  210.8669  252.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9501  210.1808  250.5050 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.6756  208.9581  250.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4449  208.2478  249.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4569  207.2697  249.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6619  207.0104  250.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8754  207.7183  251.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9073  208.6762  251.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-57.84238670,-66.08503457,196.73621711,208.95902080,252.49299106,-0.44604690
0.76063881,-3.08025812

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447175/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.50114

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-0.898857

>  <SCORE.INTRA.DIHEDRAL>
-0.576968

>  <SCORE.INTRA.DIHEDRAL.0>
1.29412

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.610373

>  <SCORE.INTRA.VDW.0>
-1.94349

>  <SCORE.INTRA.norm>
-0.0408571

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.295507

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001245

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  188.8882  208.4385  251.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3220  207.7197  252.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1736  208.7157  253.4707 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.3541  209.9057  253.1137 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2990  210.2756  251.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9542  209.5625  250.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4637  211.5408  251.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3594  211.9495  250.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8939  212.1433  252.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5386  209.1904  254.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9881  210.3229  253.8687 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2446  208.2177  254.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0502  211.7305  253.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1068  208.5376  254.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
110.69286865,-179.86000015,-0.56971412,179.73590602,188.05898379,209.86229340
252.50002280,-0.04062011,0.86457287,-2.20270234

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447176/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.98621

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.41379

>  <SCORE.INTRA.DIHEDRAL>
-0.722314

>  <SCORE.INTRA.DIHEDRAL.0>
1.61402

>  <SCORE.INTRA.POLAR>
0.205725

>  <SCORE.INTRA.POLAR.0>
-0.324978

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.752099

>  <SCORE.INTRA.VDW.0>
-0.0906012

>  <SCORE.INTRA.norm>
-0.0344825

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.582184

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004478

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  190.2908  194.6283  249.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3733  195.4604  249.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9169  195.3875  250.1968 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.5852  193.1242  250.0921 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.5234  192.2863  250.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9499  192.3392  249.9696 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.7815  192.6170  248.7655 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0217  191.6753  248.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  1  1  6  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-61.52818525,177.92430934,62.28153575,176.55463385,190.47926101,193.71818987
249.91560137,0.60314521,0.20990105,0.28605207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447177/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.65111

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-0.748892

>  <SCORE.INTRA.DIHEDRAL>
-0.57703

>  <SCORE.INTRA.DIHEDRAL.0>
0.890137

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.460377

>  <SCORE.INTRA.VDW.0>
-0.0257391

>  <SCORE.INTRA.norm>
-0.106985

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.09302

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.033212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  206.0107  202.9466  251.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7539  203.6071  250.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8236  202.9175  250.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4948  203.6685  250.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8507  203.6947  251.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6218  204.5393  252.4228 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5020  205.5179  252.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6135  204.3317  252.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <CHROM.1>
179.64545172,-63.86939658,69.19046955,71.65059848,203.63375155,203.58692356
251.05709864,-0.31106517,-0.16022969,1.09264243

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447186/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.52687

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.56667

>  <SCORE.INTRA>
-1.87313

>  <SCORE.INTRA.DIHEDRAL>
0.642832

>  <SCORE.INTRA.DIHEDRAL.0>
0.0149335

>  <SCORE.INTRA.POLAR>
-0.746043

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.341997

>  <SCORE.INTRA.VDW.0>
-0.157403

>  <SCORE.INTRA.norm>
-0.312189

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.25448

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.133938

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  205.9677  211.2024  258.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0248  210.1538  258.7149 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4709  209.6395  257.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1706  209.1619  257.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4594  208.6570  256.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0283  208.6543  255.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3495  209.0965  255.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0673  209.5925  256.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3360  208.2668  254.2021 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0734  207.7097  254.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3368  207.4216  255.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6193  207.4682  252.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7266  206.9012  251.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5575  205.7589  252.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0046  204.6759  252.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9167  205.9914  252.7391 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6117  204.9693  253.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8665  205.3416  254.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7957  205.3762  255.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9390  205.8981  257.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1763  206.4329  257.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2695  206.3262  256.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1174  205.7810  255.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2214  207.0364  258.8219 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4158  206.8830  259.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8895  205.9798  258.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2933  204.7339  258.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5403  207.1804  252.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9601  208.2077  251.7480 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8553  209.2261  251.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1449  208.9672  251.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2370  207.3862  252.5493 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.7447  208.5640  253.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-149.31242479,-7.18882905,41.98321576,45.27884820,65.49035102,-105.60507295
7.21421309,72.35810499,61.45288408,144.16670844,203.99005693,207.37272645
255.20051705,-1.24876219,-0.69533266,-1.54145618

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447187/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.53589

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-9.86411

>  <SCORE.INTRA.DIHEDRAL>
4.55848

>  <SCORE.INTRA.DIHEDRAL.0>
10.267

>  <SCORE.INTRA.POLAR>
-0.811872

>  <SCORE.INTRA.POLAR.0>
-0.0517978

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.38299

>  <SCORE.INTRA.VDW.0>
5.03796

>  <SCORE.INTRA.norm>
-0.308254

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.172996

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  200.0806  212.2786  244.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9354  211.2887  243.3787 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2824  211.9600  243.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0046  212.2283  244.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2617  212.7927  245.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9787  213.2674  246.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3038  213.8316  247.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9149  213.9265  247.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1932  213.4397  246.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8618  212.8471  245.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1173  209.9461  244.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8592  209.2997  244.2679 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0289  208.4583  244.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
62.78727688,-179.96176600,201.38583369,212.15846487,245.09379942,1.81619143
-0.43070493,-2.28597818

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447188/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.35465

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-1.04535

>  <SCORE.INTRA.DIHEDRAL>
-2.21148

>  <SCORE.INTRA.DIHEDRAL.0>
2.2396

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0603954

>  <SCORE.INTRA.VDW.0>
-0.341065

>  <SCORE.INTRA.norm>
-0.0871121

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.446221

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000502

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  201.1321  195.9335  252.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8986  195.3944  253.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6783  196.2382  254.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3908  195.6616  253.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3124  193.9066  253.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3554  192.9966  254.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6838  191.6995  254.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9881  191.2562  254.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9540  192.1081  253.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6430  193.4214  253.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6780  194.1943  253.0106 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9718  193.7574  252.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4244  192.6687  253.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8567  194.7623  252.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5887  195.6389  252.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8246  196.6996  253.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6875  197.0508  252.6956 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9983  198.0915  253.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8183  198.5144  252.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0714  199.5781  253.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5056  200.2332  254.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6886  199.8231  254.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4448  198.7697  254.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5868  198.4122  255.0033 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2655  197.3740  254.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5413  195.1844  252.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 25  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-126.07175545,-175.90452284,91.28906337,-81.00460920,-18.94274837,203.27833692
195.74504335,253.60339509,1.93661711,-0.11716099,-3.09659160

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447189/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.84333

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-3.55667

>  <SCORE.INTRA.DIHEDRAL>
-0.722223

>  <SCORE.INTRA.DIHEDRAL.0>
5.70497

>  <SCORE.INTRA.POLAR>
-0.643859

>  <SCORE.INTRA.POLAR.0>
-0.170634

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.00644

>  <SCORE.INTRA.VDW.0>
1.89563

>  <SCORE.INTRA.norm>
-0.142267

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.273733

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000374

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  227.7428  187.2292  236.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2532  187.2587  237.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7292  188.0551  238.3064 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.2860  186.3745  237.8940 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.7572  186.2122  239.2568 C   0  0  2  0  0  0  0  0  0  0  0  0
  226.8446  185.6627  240.2063 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.2595  185.5190  241.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0188  184.6208  241.6132 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.0128  185.1669  240.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4055  185.3608  239.3402 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.2309  184.0536  238.4132 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.8112  183.3803  238.4390 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.8283  181.9758  237.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2133  182.0464  236.4044 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2998  183.2941  239.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.5012  184.3311  237.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.2676  182.8845  241.0916 P   0  0  0  0  0  0  0  0  0  0  0  0
  226.2167  182.6449  242.3013 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8010  182.4180  241.9295 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.5027  181.2430  240.5985 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.3545  184.4354  239.7626 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.9497  185.7963  237.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.1945  181.1173  236.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.3696  184.1744  240.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.3319  183.5056  236.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.0287  182.5561  241.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.1957  180.6985  241.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
  227.7710  184.6020  238.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 22  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
 12 13  1  1  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
M  END
>  <CHROM.1>
-66.27473411,61.82563021,63.13797332,-173.12107077,-168.37004110,-177.08426026
-60.35716617,49.70734730,179.98589233,86.07261077,-80.15536005,225.18401989
184.31815754,239.42927403,0.72965540,-0.79296018,-1.15746618

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447190/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.27635

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-13.6764

>  <SCORE.INTRA.DIHEDRAL>
-8.02528

>  <SCORE.INTRA.DIHEDRAL.0>
14.0227

>  <SCORE.INTRA.POLAR>
-2.69452

>  <SCORE.INTRA.POLAR.0>
-0.372724

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.502335

>  <SCORE.INTRA.VDW.0>
-3.34658

>  <SCORE.INTRA.norm>
-0.651255

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
-0.156017

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001896

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  198.5582  208.4609  259.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5478  208.8277  261.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4739  210.2728  260.5625 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.7742  207.2340  260.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9512  206.8528  259.3496 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.6212  206.1997  260.5854 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.8163  207.5400  261.8150 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87282505,-176.07073756,198.43260019,208.11511150,260.67884483,-0.44338032
-0.65574489,-2.28569814

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447191/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.38399

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.0160143

>  <SCORE.INTRA.DIHEDRAL>
0.018165

>  <SCORE.INTRA.DIHEDRAL.0>
0.00864838

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0250968

>  <SCORE.INTRA.VDW.0>
0.230887

>  <SCORE.INTRA.norm>
-0.00228775

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.05486

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.132750

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  229.6909  181.6888  243.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.6077  182.8913  243.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8480  184.0709  242.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6648  184.4118  243.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4235  185.5901  243.9519 N   0  0  0  0  0  0  0  0  0  0  0  0
  229.2143  186.6054  243.5010 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.9252  187.1654  242.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7309  187.8909  242.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3488  188.3994  240.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1536  188.1547  239.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3330  187.4117  239.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.7071  186.9182  241.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7418  188.6635  238.4076 N   0  3  0  0  0  0  0  0  0  0  0  0
  226.6728  189.2980  238.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.4727  188.4310  237.4339 O   0  5  0  0  0  0  0  0  0  0  0  0
  227.7029  183.2556  243.7502 C   0  0  2  0  0  0  0  0  0  0  0  0
  228.5074  182.0416  244.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9228  182.8926  242.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.4648  183.9716  241.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3167  184.7192  242.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8278  185.6742  241.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4739  185.8964  239.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5907  185.1369  239.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0455  184.1656  240.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0743  183.3601  240.0407 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.2196  186.4228  243.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.0772  182.3883  242.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
  228.1781  182.7186  240.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  6  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 28  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
78.35453162,67.44618683,-40.51735166,-81.02080251,3.05710994,227.92029211
185.54206174,241.37290669,-1.38394837,-0.50978885,-0.58729549

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447192/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.49326

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-4.90674

>  <SCORE.INTRA.DIHEDRAL>
-0.637985

>  <SCORE.INTRA.DIHEDRAL.0>
2.28103

>  <SCORE.INTRA.POLAR>
-0.00565502

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.56852

>  <SCORE.INTRA.VDW.0>
-0.862125

>  <SCORE.INTRA.norm>
-0.19627

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.17973

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  201.5709  208.4355  245.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1499  207.1076  246.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6825  207.2637  246.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5836  206.8997  247.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6347  205.5812  245.2128 Si  0  0  0  0  0  0  0  0  0  0  0  0
  199.9691  205.4743  245.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6898  205.2120  243.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8676  205.7126  242.7604 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0457  205.8367  243.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1551  204.8452  241.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9187  203.6606  241.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1248  202.9097  240.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5288  203.2666  239.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7751  204.4158  239.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6011  205.2033  240.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7885  202.3672  238.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8520  201.1520  238.8013 Si  0  0  0  0  0  0  0  0  0  0  0  0
  202.9098  201.7809  240.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5920  201.3318  237.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0954  202.7916  237.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6824  200.4033  238.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4028  201.0321  236.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0137  199.3479  238.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7195  198.8619  237.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8920  198.2999  239.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6742  199.4296  239.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4394  203.7947  245.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0715  203.4452  247.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8898  202.6710  244.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9723  203.8312  245.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
-56.79155112,55.58647369,-81.41351855,53.27883309,66.24974964,202.23010962
203.39406821,241.90456635,1.92783301,-1.18663942,1.29187561

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447193/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.37214

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-1.02786

>  <SCORE.INTRA.DIHEDRAL>
-0.393202

>  <SCORE.INTRA.DIHEDRAL.0>
1.5942

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.831261

>  <SCORE.INTRA.VDW.0>
-5.52896

>  <SCORE.INTRA.norm>
-0.034262

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.312405

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000974

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  195.2923  217.7580  257.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6541  217.7335  258.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0486  216.5062  259.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2616  216.7844  259.6976 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.6379  217.0423  257.7593 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.1686  215.3122  256.7911 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.2845  214.0371  257.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8128  214.3048  257.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0106  214.5792  258.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
-119.01396505,61.97325975,58.67932002,58.60949742,61.88650793,-118.62675350
192.17502417,216.11950625,258.21080355,-0.40814495,-0.48067680,-2.02517165

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447194/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3541

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
-1.04587

>  <SCORE.INTRA.DIHEDRAL>
-0.637155

>  <SCORE.INTRA.DIHEDRAL.0>
0.675411

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.727296

>  <SCORE.INTRA.VDW.0>
-1.26819

>  <SCORE.INTRA.norm>
-0.116208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.15046

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.108692

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 33  0  0  0  0  0  0  0  0999 V2000
  194.6614  210.3867  244.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6747  209.6040  246.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8161  210.5723  247.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7403  211.5700  247.4323 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2804  212.9314  247.3962 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4774  213.4155  245.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5893  213.6154  245.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1783  213.6512  245.1974 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3601  214.6355  246.0386 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1633  214.0927  247.4691 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4334  213.8333  248.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4120  215.0913  248.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3068  214.6313  249.6941 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5154  213.0943  249.7585 P   0  0  0  0  0  0  0  0  0  0  0  0
  191.8432  212.3446  249.7245 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2106  213.3126  251.3397 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7239  211.5572  249.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0292  215.9131  246.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3698  214.1501  243.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5581  209.4666  243.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3370  210.2463  242.4345 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5249  211.1804  242.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3881  210.9528  241.3060 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5205  212.3222  242.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1454  209.3098  241.3060 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1914  211.4846  248.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9648  213.7903  251.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.8178  211.7758  250.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0871  216.2497  245.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8793  213.4678  243.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2528  212.9335  242.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9733  209.8605  240.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2583  208.8180  241.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 26  1  0  0  0  0
  5  4  1  6  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  6  0  0  0
  9 10  1  0  0  0  0
  9 18  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
 25 33  1  0  0  0  0
M  END
>  <CHROM.1>
178.51804442,171.59667749,56.68364783,-123.05895395,90.00915691,61.42874402
61.23811953,-176.14106783,-57.57256473,93.69924725,-35.30114287,79.39293192
62.31057430,103.49803945,178.32737023,-178.10609297,193.23972488,212.53268261
246.37054425,0.21127167,-1.05109173,3.03249307

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447195/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44181

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.656

>  <SCORE.INTRA>
-9.95819

>  <SCORE.INTRA.DIHEDRAL>
-0.873094

>  <SCORE.INTRA.DIHEDRAL.0>
7.87554

>  <SCORE.INTRA.POLAR>
-1.9878

>  <SCORE.INTRA.POLAR.0>
-0.0104972

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.76313

>  <SCORE.INTRA.VDW.0>
-1.59765

>  <SCORE.INTRA.norm>
-0.398328

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.257672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019792

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  185.0198  217.3733  257.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5384  217.2276  256.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2945  217.1755  255.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2557  215.9642  254.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9952  215.8421  253.3661 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.7566  216.9795  252.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7790  218.2373  253.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0492  218.3331  254.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4411  216.8421  251.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
91.63189050,183.25709530,217.09946090,254.37032007,-0.31022783,1.22429896
-2.89761014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447196/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.32032

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.0796814

>  <SCORE.INTRA.DIHEDRAL>
-0.0898215

>  <SCORE.INTRA.DIHEDRAL.0>
0.764878

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0347706

>  <SCORE.INTRA.VDW.0>
-0.0381047

>  <SCORE.INTRA.norm>
-0.00885349

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.702258

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003679

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  221.5693  180.3158  252.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4269  181.8074  252.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5820  182.4184  253.9273 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4653  183.7578  253.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1981  184.6010  252.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0633  183.9589  251.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1762  182.5396  251.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0316  181.9095  250.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8303  184.7378  250.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3899  185.8758  250.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1492  184.1361  249.1965 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1141  186.0584  253.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1243  186.9559  252.8602 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0187  182.5506  249.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.9701  184.6992  248.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.0709  186.9459  251.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
-136.02291214,-20.49443434,-170.04124517,179.87805743,-51.84928799,221.05944257
183.82603620,251.90888573,-0.26956477,-1.37811100,1.12033827

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447197/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.8006

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-4.0496

>  <SCORE.INTRA.DIHEDRAL.0>
6.80348

>  <SCORE.INTRA.POLAR>
-0.594273

>  <SCORE.INTRA.POLAR.0>
-1.19594

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.55407

>  <SCORE.INTRA.VDW.0>
2.40456

>  <SCORE.INTRA.norm>
-0.507646

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.0615846

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000450

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  219.6039  183.9271  249.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7536  183.8411  250.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6084  182.7380  250.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8015  182.4943  252.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7175  181.1569  252.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9437  180.8785  254.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2915  181.8965  254.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3298  183.2166  254.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0771  183.5152  253.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6305  181.5976  256.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.2022  180.4303  256.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3570  180.1910  257.8290 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6241  179.3722  255.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9969  179.7180  255.0006 N   0  3  1  0  0  0  0  0  0  0  0  0
  223.9535  180.7416  254.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.1221  179.4013  255.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2531  179.1633  253.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9598  180.1442  252.6299 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.5108  179.9120  251.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1090  178.4379  250.6621 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.4470  181.1619  250.7333 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0807  181.5293  249.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0632  182.8290  249.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3959  183.8404  250.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7851  183.4930  251.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8346  182.0501  251.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1728  181.4986  252.8296 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.1421  184.6419  252.5688 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  222.6180  183.3375  247.5466 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.4434  180.1782  251.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7643  179.0161  252.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4951  178.0260  251.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2163  182.1607  256.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
-177.52942241,134.81689002,-151.68120557,29.38144670,82.57552354,-41.21106395
96.21848972,-149.99322781,178.94941608,222.37304388,181.49018774,252.25336896
-1.96916792,1.34039204,2.40465558

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447198/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.21561

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-10.1844

>  <SCORE.INTRA.DIHEDRAL>
-2.11318

>  <SCORE.INTRA.DIHEDRAL.0>
18.4302

>  <SCORE.INTRA.POLAR>
-0.48254

>  <SCORE.INTRA.POLAR.0>
-0.0335807

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.48716

>  <SCORE.INTRA.VDW.0>
1.20874

>  <SCORE.INTRA.norm>
-0.328529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.135987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  212.7173  191.0785  243.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9619  191.2136  245.0527 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.9054  190.9437  246.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9173  191.8478  246.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7748  191.5792  247.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6431  190.4015  248.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6190  189.5127  248.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7582  189.7839  247.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5570  190.1047  249.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5094  188.9923  250.2767 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5553  189.2091  251.0858 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2211  190.3534  250.8945 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5890  190.9395  249.8883 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3229  192.6395  245.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6623  193.5272  245.9213 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3028  192.7845  244.2612 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8002  190.2620  245.0521 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8324  188.5443  251.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.9518  193.7008  244.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.0734  190.6572  244.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3752  190.2920  245.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <CHROM.1>
71.34207337,-110.94916386,-75.63323901,-179.35924366,-179.93591739,213.62845452
190.92680572,247.29960708,2.70631393,-0.78430827,-0.21858236

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447199/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48343

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-0.916565

>  <SCORE.INTRA.DIHEDRAL>
-0.66964

>  <SCORE.INTRA.DIHEDRAL.0>
2.21786

>  <SCORE.INTRA.POLAR>
0.158845

>  <SCORE.INTRA.POLAR.0>
-0.379572

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12182

>  <SCORE.INTRA.VDW.0>
0.471991

>  <SCORE.INTRA.norm>
-0.0539156

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.499026

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002422

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  215.8033  200.9860  245.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0923  202.3028  244.3693 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.3321  203.5151  244.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9451  204.1876  246.1857 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.4468  204.3907  245.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1395  203.1066  245.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5334  202.5371  244.2438 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7004  203.3829  247.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6168  202.9184  248.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3107  203.1583  248.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1851  202.4311  249.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9460  202.3015  249.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8163  202.8799  249.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9159  203.5350  248.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1575  203.6620  247.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3623  205.5215  246.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7460  206.2548  247.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5558  205.9247  248.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1447  207.5932  247.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7952  208.5356  248.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2264  209.7872  248.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0013  210.1023  247.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3500  209.1714  247.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9166  207.9110  246.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8951  206.6854  245.8313 Br  0  0  0  0  0  0  0  0  0  0  0  0
  217.7037  203.1561  243.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  1  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
117.77773163,177.81557914,-179.66481655,1.83239640,-160.65612641,214.70405372
205.15670956,246.85881978,-1.17404058,0.55705999,-0.05875215

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447200/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.06777

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-3.33223

>  <SCORE.INTRA.DIHEDRAL>
-8.69143

>  <SCORE.INTRA.DIHEDRAL.0>
10.9403

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.01349

>  <SCORE.INTRA.VDW.0>
-2.49684

>  <SCORE.INTRA.norm>
-0.133289

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.282711

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010856

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  225.6362  194.1863  238.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4415  192.7484  238.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1297  191.7534  238.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9872  190.4137  238.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1393  190.0432  239.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4409  191.0320  240.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5966  192.3795  239.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0889  188.5968  239.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7483  187.8279  239.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2439  188.2588  240.8145 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.9777  186.9713  241.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5907  185.9196  240.7301 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.1775  184.7376  241.3185 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2251  184.9361  242.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8073  186.5870  242.4133 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.4907  183.8559  242.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3770  182.8805  243.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8855  182.2299  244.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.6759  182.6788  243.1882 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.3909  181.7270  243.8429 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.6083  181.4184  243.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2890  180.3368  244.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.6528  180.1439  243.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.4599  179.1867  244.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9245  178.3930  245.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5887  178.5658  245.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7482  179.5259  245.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5083  179.4519  245.8825 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3446  179.2347  245.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6280  188.9533  241.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.0747  183.1755  242.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-2.87353064,5.05905981,55.53482300,157.36057670,179.47039282,-175.15545072
56.13455188,225.20050862,185.06663020,242.19592217,-1.69267283,-0.17670423
2.65217363

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447201/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.52207

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-3.87793

>  <SCORE.INTRA.DIHEDRAL>
-2.31257

>  <SCORE.INTRA.DIHEDRAL.0>
8.70341

>  <SCORE.INTRA.POLAR>
-0.531988

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.912882

>  <SCORE.INTRA.VDW.0>
-0.708297

>  <SCORE.INTRA.norm>
-0.133722

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.293865

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  184.3414  215.5756  251.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4112  216.5813  250.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8070  217.8718  251.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6050  218.7537  250.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9663  220.1053  250.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5301  220.6160  251.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6981  219.7110  252.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3431  218.3608  252.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9735  222.0393  251.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5200  222.6723  252.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8091  222.2416  253.9104 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.5214  223.4592  254.6645 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7447  224.5987  253.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7217  225.7539  254.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8812  224.1231  252.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2527  224.8075  251.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8430  223.4455  255.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7864  223.3649  257.1775 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.5975  222.0865  257.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8643  222.5334  257.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0028  223.9849  257.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7160  224.4619  257.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2829  221.8242  254.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3042  222.7829  254.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6453  222.4110  254.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9814  221.0678  254.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9946  220.0984  254.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6739  220.4702  254.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5409  223.4450  254.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2907  223.5142  255.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7610  222.7550  250.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0726  223.6677  250.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  6  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 17  1  6  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
133.81251014,179.57692047,179.90085201,78.37223403,91.35983829,-64.82421861
120.66277183,186.35327325,221.83481475,253.70090533,-2.31908006,-0.76229604
0.19811916

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447210/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.12648

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-6.27352

>  <SCORE.INTRA.DIHEDRAL>
-6.6214

>  <SCORE.INTRA.DIHEDRAL.0>
15.2518

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.96282

>  <SCORE.INTRA.VDW.0>
0.390485

>  <SCORE.INTRA.norm>
-0.202372

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.16537

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001626

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  218.6879  181.9105  248.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9329  181.1755  249.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1441  182.0126  249.2749 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5358  182.6011  250.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8191  183.1472  250.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2510  183.7416  251.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4007  183.7862  252.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1181  183.2421  252.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6799  182.6520  251.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2611  182.0260  247.9901 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.4874  181.3976  248.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6062  181.5396  246.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5516  183.7660  247.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7058  184.2676  247.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8422  185.6521  246.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8396  186.5269  247.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6640  186.0375  247.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5218  184.6534  248.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6153  186.8641  248.4195 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4558  186.4486  249.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1927  185.3062  249.4146 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4826  187.5710  249.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9776  188.1475  248.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0881  186.8471  247.1033 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.4557  185.9641  246.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4375  186.6172  245.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4558  185.8844  245.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4891  184.4973  245.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5189  183.8377  245.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5012  184.5711  246.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7227  183.5921  244.3484 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.0347  183.3301  246.5457 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.7381  187.8616  248.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
95.08671902,167.58383655,-112.84520302,156.50642561,-176.18568392,64.94251813
61.98755238,-80.65403775,-53.17730947,221.07966192,184.25968958,247.92797940
0.48103016,-0.64803965,1.81321497

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447211/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.25805

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-12.142

>  <SCORE.INTRA.DIHEDRAL>
-13.1561

>  <SCORE.INTRA.DIHEDRAL.0>
21.0554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.5639

>  <SCORE.INTRA.VDW.0>
-3.54909

>  <SCORE.INTRA.norm>
-0.379436

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0705639

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  189.3603  206.1096  259.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3631  207.2193  259.7117 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3027  207.4585  261.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9191  208.3593  261.7754 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5075  206.4834  261.7871 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9127  205.6979  260.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0851  204.8030  260.9762 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2811  206.3263  263.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9550  207.1322  264.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7463  206.9748  265.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8740  206.0040  265.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1920  205.2001  265.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3840  205.3685  263.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6495  208.1022  266.7169 Br  0  0  0  0  0  0  0  0  0  0  0  0
  191.7355  206.8822  259.2969 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1712  205.5779  259.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3901  205.6103  261.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7526  204.6730  262.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0029  204.7346  263.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8476  205.6750  264.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4852  206.6127  263.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2494  206.5786  261.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9586  205.5572  265.3605 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0638  204.4540  265.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4746  203.9077  264.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4003  207.5993  259.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  1  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-48.39280595,-4.58537649,-70.49947904,126.48132662,190.74004468,206.38855150
263.44686857,1.56490944,0.10483934,-1.74762468

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447212/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.14476

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-4.25524

>  <SCORE.INTRA.DIHEDRAL>
-1.78893

>  <SCORE.INTRA.DIHEDRAL.0>
2.84422

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.36078

>  <SCORE.INTRA.VDW.0>
-0.331031

>  <SCORE.INTRA.norm>
-0.17021

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.20579

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000111

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 33  0  0  0  0  0  0  0  0999 V2000
  188.9571  206.9192  249.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7930  206.4536  250.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8736  205.5924  249.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7506  205.1011  250.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5390  205.4277  251.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4461  206.2623  252.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5507  206.8294  251.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3782  207.8448  252.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4759  208.2368  252.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7764  208.3275  253.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2607  209.4418  254.3197 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4010  209.0756  255.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9592  208.5881  254.6250 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.7832  210.4778  256.4833 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.8638  207.7359  256.4695 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.5958  210.5755  253.4206 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0411  210.9767  252.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5419  210.5314  251.6297 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.9584  211.7289  251.4974 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9827  211.1781  250.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6040  210.5437  249.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5630  210.0641  248.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9150  210.2252  248.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3074  210.8511  250.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3520  211.3326  250.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9107  211.8881  252.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1018  211.8556  252.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9312  212.3586  253.0456 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3582  212.9227  254.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7968  208.1132  253.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4784  211.0270  253.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.2709  212.5348  252.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 30  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-15.23951031,-83.51225487,67.61091440,32.08766206,82.97191831,70.19271642
170.97798713,-179.66127570,189.22733003,209.33283721,252.61070152,-2.77490647
0.85621928,1.58443572

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447213/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.42627

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-8.97373

>  <SCORE.INTRA.DIHEDRAL>
-6.9413

>  <SCORE.INTRA.DIHEDRAL.0>
12.5765

>  <SCORE.INTRA.POLAR>
-0.672992

>  <SCORE.INTRA.POLAR.0>
-0.632739

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.2149

>  <SCORE.INTRA.VDW.0>
-2.90411

>  <SCORE.INTRA.norm>
-0.309439

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.15263

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  198.9357  224.0271  251.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7836  224.2236  252.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7947  224.7136  253.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7587  225.0366  253.9836 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1537  224.7905  254.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2576  224.9611  255.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3507  224.6428  253.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2335  224.3075  251.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4626  224.1447  251.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0073  225.4372  250.4463 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.9393  226.1230  249.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8934  226.0295  248.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0348  226.8398  250.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4300  226.3672  251.5233 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3444  227.2744  249.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6000  226.8977  251.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0363  227.0873  251.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
97.72236927,-58.20647790,-99.93400820,-85.57784528,-179.41457429,199.87242647
225.18863713,251.88404599,2.20373347,0.13627123,1.75524957

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447214/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.14581

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-1.25419

>  <SCORE.INTRA.DIHEDRAL>
-0.0367408

>  <SCORE.INTRA.DIHEDRAL.0>
2.59447

>  <SCORE.INTRA.POLAR>
-0.194973

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.572909

>  <SCORE.INTRA.VDW.0>
-1.42158

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.581844

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008232

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  200.3183  211.4671  246.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4537  209.9831  247.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6927  209.3751  247.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7298  207.9759  247.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5859  207.2012  247.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3671  207.8060  247.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3010  209.1884  247.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9202  207.2801  248.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9218  205.6490  248.4226 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.3805  204.9767  247.2609 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1993  205.2584  248.9823 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7222  205.4970  249.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9160  204.3585  249.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9713  204.2591  250.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8170  205.2982  251.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6532  206.4183  251.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6278  206.4978  250.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7619  205.1612  252.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0228  204.1924  252.8890 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7315  206.2474  253.6278 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7159  206.2207  254.6453 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8995  207.4481  255.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3036  206.2334  254.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1123  206.7783  252.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2477  205.6591  254.7176 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3376  205.0480  256.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9072  205.7308  254.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9518  210.1936  247.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7615  207.8033  248.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
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  9 11  2  0  0  0  0
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 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
172.28345648,58.99914035,144.18557803,-0.35757856,178.42295247,175.07649975
-29.13507837,199.81804145,206.62653825,250.57880381,0.69074824,0.61816408
-0.67420832

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447215/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.829

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-7.571

>  <SCORE.INTRA.DIHEDRAL>
-13.7373

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-1.50018

>  <SCORE.INTRA.norm>
-0.270393

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.172464

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000681

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  199.3788  208.7788  243.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6016  208.6714  242.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6113  207.5287  243.2156 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7650  206.7728  243.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7180  206.7276  242.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6270  206.0645  244.6270 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5504  205.1823  245.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1294  204.4575  246.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9800  203.5304  246.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2735  203.3497  246.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7179  204.0970  245.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8500  205.0074  244.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1655  202.3637  247.0523 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.7242  201.7127  248.0104 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3047  202.2369  246.5819 O   0  5  0  0  0  0  0  0  0  0  0  0
  199.6824  206.0705  244.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
-101.73058165,-172.63480944,201.98911693,205.07540571,245.12553986,2.18295044
0.44769500,-0.91616671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447216/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.09952

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.30048

>  <SCORE.INTRA.DIHEDRAL>
-0.662574

>  <SCORE.INTRA.DIHEDRAL.0>
1.31941

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0308069

>  <SCORE.INTRA.VDW.0>
-0.365484

>  <SCORE.INTRA.norm>
-0.020032

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.473301

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000655

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  191.2569  217.9332  271.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5535  217.8284  269.8430 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5017  216.8958  269.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0642  216.2049  270.4152 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7747  216.8182  268.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5845  216.1756  267.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7972  216.0786  265.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5858  215.4311  265.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7922  215.3348  263.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5859  214.6853  263.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7990  214.5919  261.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5937  213.9435  260.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8078  213.8502  259.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6024  213.2023  258.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8192  213.1042  257.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6075  212.4700  256.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8041  212.3760  255.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9764  212.9724  254.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1638  212.8824  252.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3680  214.2289  252.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4766  214.5517  251.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-0.28797431,-71.23044304,179.61404794,179.93753793,179.87273611,179.82035511
-179.97967501,-179.97482909,-179.98637577,-179.97596158,-179.79105755,-179.37006284
179.62770540,-120.48990845,-119.43669434,119.74219639,189.46056226,214.87877295
261.79234102,0.98023196,0.95444575,1.83813238

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447217/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.8172

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.01905

>  <SCORE.INTRA>
-0.582776

>  <SCORE.INTRA.DIHEDRAL>
0.142205

>  <SCORE.INTRA.DIHEDRAL.0>
1.09746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.653879

>  <SCORE.INTRA.VDW.0>
0.638744

>  <SCORE.INTRA.norm>
-0.0277513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.991296

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057529

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 37  0  0  0  0  0  0  0  0999 V2000
  207.4909  198.9328  242.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9032  199.3976  243.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8495  198.2060  243.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2665  198.6681  243.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2036  197.4743  243.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6171  197.9371  243.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5535  196.7437  243.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9682  197.2066  244.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9082  196.0136  244.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3267  196.4680  244.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2689  195.2732  244.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6897  195.7176  244.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5554  194.5674  244.9081 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8612  194.8833  245.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5833  195.8113  244.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9540  195.9726  244.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6021  195.3299  245.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8624  194.4222  246.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5061  194.2101  246.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0535  195.6498  245.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6740  196.4471  245.2431 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.5673  194.9298  247.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.9300  195.1938  247.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3732  196.5004  247.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.7339  196.7273  247.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.6087  195.6567  248.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.1242  194.3521  247.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.7962  194.1271  247.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.0107  195.9321  248.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.8429  195.0566  248.7650 O   0  0  0  0  0  0  0  0  0  0  0  0
  233.2248  197.2687  248.6473 O   0  0  0  0  0  0  0  0  0  0  0  0
  234.5472  197.6571  249.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.7566  199.1740  249.2069 C   0  0  1  0  0  0  0  0  0  0  0  0
  236.1213  199.4807  249.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.6416  199.8461  247.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.1963  199.9654  247.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99056097,179.81092806,-179.63175498,179.85309132,179.86289242,-179.58298736
-179.57222077,179.76488393,179.99800452,-179.71677231,-179.80078996,-55.09026333
0.62785946,-178.71478770,52.35472162,179.80663962,179.58212535,179.54778950
173.00196929,76.14714840,224.18740728,196.63199694,246.02599345,-3.13700481
0.22767816,-3.04446852

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447226/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.10168

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.705556

>  <SCORE.INTRA>
-17.2983

>  <SCORE.INTRA.DIHEDRAL>
-30.3717

>  <SCORE.INTRA.DIHEDRAL.0>
37.6445

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.11249

>  <SCORE.INTRA.VDW.0>
2.02747

>  <SCORE.INTRA.norm>
-0.480509

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.225047

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008889

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  192.4891  216.0906  247.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2854  215.0048  248.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2164  215.0117  249.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3553  216.1106  249.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5602  217.1999  248.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6275  217.1866  247.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2367  216.1705  250.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9755  215.2099  250.9982 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9163  215.3819  251.8655 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9119  214.5158  252.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9992  214.6025  253.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1293  215.7886  253.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5203  216.2692  255.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6624  217.3719  255.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3949  217.9998  253.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0395  217.5714  252.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9377  216.4996  252.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8077  216.2109  251.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5295  216.7221  250.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9067  213.4483  254.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6392  212.4743  254.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8734  213.5344  255.7224 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7732  212.7752  256.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-1.41260057,-163.27472604,3.40144791,178.25324846,187.92783589,215.69137495
251.89893967,-0.58464060,-0.64834425,2.41720837

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447227/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.63839

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.76161

>  <SCORE.INTRA.DIHEDRAL>
-3.67696

>  <SCORE.INTRA.DIHEDRAL.0>
4.67772

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.076873

>  <SCORE.INTRA.VDW.0>
0.275897

>  <SCORE.INTRA.norm>
-0.0800732

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.301745

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003274

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  191.8476  221.3300  261.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5149  219.9712  261.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0006  220.1758  261.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8075  219.2115  262.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7689  219.5400  263.7355 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0023  218.6137  264.4105 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5878  217.7341  263.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0286  218.0878  262.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6858  217.4269  261.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6259  216.3366  263.8531 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.9316  216.7072  265.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9226  217.8330  265.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7245  217.5700  265.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4928  219.0915  265.3965 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6972  220.1990  265.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3905  220.2528  265.3647 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9801  221.5302  265.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9921  222.4390  264.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5102  221.6827  265.0508 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.7869  223.8497  264.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3146  224.2639  264.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3232  223.1622  264.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5342  221.8721  265.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4809  219.2091  265.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-66.51496714,17.72609143,69.55731530,95.90380967,8.15284834,188.88906224
219.84113804,263.98646668,-0.46962563,0.50770544,-0.22699062

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447228/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.5673

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-1.8327

>  <SCORE.INTRA.DIHEDRAL>
-1.90817

>  <SCORE.INTRA.DIHEDRAL.0>
5.92422

>  <SCORE.INTRA.POLAR>
-0.264018

>  <SCORE.INTRA.POLAR.0>
-0.735982

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0190476

>  <SCORE.INTRA.VDW.0>
-2.68894

>  <SCORE.INTRA.norm>
-0.0796826

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.372491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  220.3114  182.4255  244.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1469  182.0839  245.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1492  182.7677  246.9105 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3400  184.1716  246.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3485  184.6695  245.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5934  183.8391  244.6365 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3471  184.4567  243.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7306  184.9968  242.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6225  185.9569  242.3199 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8528  187.2263  241.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8673  187.5173  241.1442 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7503  188.2517  241.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8247  188.7152  243.3761 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5214  187.8955  244.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9747  186.5207  244.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5056  185.6365  243.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9157  184.3656  243.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9051  183.9362  243.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4237  184.8022  244.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9186  186.0996  244.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2254  184.2649  245.9755 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.7101  188.3764  245.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6426  187.4886  246.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7362  187.9766  248.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9341  189.3380  248.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0583  190.2152  247.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9482  189.7361  245.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
89.45836839,53.30050547,117.23705499,-168.28409935,218.73774849,185.90483800
244.78213567,-1.76860518,1.06086677,0.19738508

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447229/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.95834

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-4.44166

>  <SCORE.INTRA.DIHEDRAL>
-3.68565

>  <SCORE.INTRA.DIHEDRAL.0>
8.26527

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.59883

>  <SCORE.INTRA.VDW.0>
-1.91135

>  <SCORE.INTRA.norm>
-0.164506

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.183642

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002761

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  190.7545  227.1339  254.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4889  225.9106  253.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4323  225.0079  254.2569 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0737  225.4369  253.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9466  225.0109  254.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6900  223.6016  253.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3768  222.7254  254.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7610  223.2868  255.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5643  222.7777  256.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9581  223.5267  256.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9502  225.0566  256.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3823  225.4817  258.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1554  226.9277  258.3573 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1973  227.1035  259.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2768  228.3154  259.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4616  227.5383  258.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6210  229.0134  258.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7910  222.8938  257.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2588  222.0156  258.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7527  222.0486  260.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7464  222.9462  260.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2278  223.8276  259.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2260  224.7196  259.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6667  225.6608  259.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1025  225.7174  257.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1002  224.8237  257.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7202  223.8345  258.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8477  221.2752  256.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9427  220.8141  255.9186 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7541  220.4775  256.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9405  219.5340  256.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
83.63542577,-152.32243615,96.89856781,-62.37570714,168.61838968,179.20720486
63.05951856,157.66696594,108.04194113,64.62080900,-171.78174239,160.39126894
-146.65166941,151.47647091,-179.94708187,191.36382573,224.52309272,257.12239420
2.16614428,0.78071236,-2.81559856

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447230/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.9973

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646667

>  <SCORE.INTRA>
-5.40269

>  <SCORE.INTRA.DIHEDRAL>
7.08327

>  <SCORE.INTRA.DIHEDRAL.0>
2.09392

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.94433

>  <SCORE.INTRA.VDW.0>
3.68638

>  <SCORE.INTRA.norm>
-0.18009

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.466577

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006254

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  219.4349  186.7028  257.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6685  187.1296  255.9232 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0095  186.5594  254.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9524  186.0682  253.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1821  185.4673  252.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4763  185.3499  252.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5290  185.8675  252.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2999  186.4732  254.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7270  184.7501  250.9437 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6631  184.2822  250.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3577  183.3877  249.0851 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7621  183.9476  248.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9736  184.6379  250.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0766  184.9917  250.6862 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3271  181.9284  249.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7856  181.1066  248.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8938  181.6470  250.7491 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0222  180.3632  251.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4854  180.2539  252.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5894  179.0046  253.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2426  177.8444  252.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8071  177.9268  251.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7122  179.1891  250.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4356  176.6997  250.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4104  175.5589  251.2047 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.2033  176.8042  249.8953 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.3033  176.4627  249.4410 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.9104  181.6600  253.5787 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  220.1255  182.4199  251.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
132.16787686,3.12782480,120.34074757,-172.86690822,7.58000929,219.77002345
182.02186755,251.80504559,2.23229808,1.55441793,-0.30747332

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447231/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0837

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-0.316328

>  <SCORE.INTRA.DIHEDRAL>
1.33657

>  <SCORE.INTRA.DIHEDRAL.0>
2.8046

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.984611

>  <SCORE.INTRA.VDW.0>
0.565218

>  <SCORE.INTRA.norm>
-0.0112974

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.360131

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000112

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 48  0  0  0  0  0  0  0  0999 V2000
  208.0846  190.9310  247.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9690  191.7617  247.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0628  191.7257  245.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3246  190.3313  245.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7475  189.2788  245.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9952  189.4461  247.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8134  188.1419  244.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4814  188.6408  243.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1772  189.9692  243.7628 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4631  187.8721  242.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8107  186.5244  242.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1378  185.9810  243.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1200  186.7657  245.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4063  186.1421  246.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3111  184.8607  246.5369 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5147  184.3430  247.7761 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0959  183.0435  248.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6421  182.2654  247.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3141  182.5667  249.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9216  182.9858  250.5689 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.6439  184.7140  250.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9252  185.7379  251.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7479  187.0822  250.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2606  187.2923  249.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9709  186.2299  248.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1615  184.9494  248.9024 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4294  186.4420  247.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2351  185.3652  246.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6872  185.5579  244.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3242  186.8346  244.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5154  187.9192  245.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0663  187.7242  246.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0291  188.2724  251.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7938  188.2377  252.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0362  189.3458  253.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5590  190.5116  253.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7990  190.5810  251.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5056  189.4881  251.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3500  185.3889  252.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7116  185.1074  253.4592 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4622  184.6525  243.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7543  184.9620  248.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.3434  184.3539  244.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  3  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <CHROM.1>
-159.40577772,160.31523687,163.90417090,87.64242679,-46.85737888,-111.47974846
-35.12331825,175.27166218,207.10502699,186.93494495,247.83152826,2.34976556
1.55028498,-2.14316679

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447232/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.512977

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.302439

>  <SCORE.INTRA>
-11.887

>  <SCORE.INTRA.DIHEDRAL>
-2.45751

>  <SCORE.INTRA.DIHEDRAL.0>
9.95531

>  <SCORE.INTRA.POLAR>
-0.885229

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.64849

>  <SCORE.INTRA.VDW.0>
-0.662346

>  <SCORE.INTRA.norm>
-0.289927

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.0125116

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000080

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  220.8390  183.3150  249.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1603  183.0763  250.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4706  183.7369  251.4556 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0925  181.9970  250.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4773  181.8228  251.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8348  181.2511  249.3614 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7119  181.5949  248.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9250  180.3009  248.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0060  179.2359  248.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0783  179.7868  249.3154 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.4880  179.4884  248.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4975  180.0723  249.5920 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7996  179.8091  249.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-178.41040970,-98.07331941,60.44873064,-179.63687443,219.62450320,181.18890143
249.58021019,0.96565965,-0.09447266,0.53337454

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447233/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.99704

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-0.402955

>  <SCORE.INTRA.DIHEDRAL>
-0.384974

>  <SCORE.INTRA.DIHEDRAL.0>
0.924341

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.210469

>  <SCORE.INTRA.VDW.0>
-0.910895

>  <SCORE.INTRA.norm>
-0.0309966

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.69208

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.135810

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  189.0943  223.6881  252.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2463  223.4683  253.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4978  223.6516  254.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6487  223.5068  255.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5412  223.1282  256.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3248  222.7597  255.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1668  223.0418  254.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3285  222.0520  256.6183 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7154  221.0641  257.7292 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.1342  219.6030  257.6564 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.4045  219.0136  256.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9373  218.8662  256.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3409  219.2515  257.7378 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2540  220.8239  257.8928 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.7682  221.1787  259.2022 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6448  222.4264  259.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2281  222.7475  260.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8416  223.3267  259.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5605  224.9186  259.5470 Si  0  0  0  0  0  0  0  0  0  0  0  0
  187.8217  225.0699  261.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1072  225.9977  259.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1682  225.8121  258.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7240  225.8101  256.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8525  225.0060  258.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9281  227.2565  258.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1052  218.7325  258.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8937  217.1942  258.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0718  219.0294  260.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7064  218.6901  258.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7576  222.0180  255.9492 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.3205  223.3853  255.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7561  221.0625  254.8678 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6862  221.3667  257.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7485  221.8717  258.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8199  221.4388  259.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8263  220.5190  259.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7549  220.0316  257.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6820  220.4561  256.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0049  223.6325  256.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 30  1  0  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 26  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 29  1  1  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
-33.45872942,-124.35058926,-57.24846276,-56.65400429,-174.27203404,-178.09988889
-57.40106428,-60.74883134,48.00830615,187.70567793,222.22311825,257.48365145
-0.98306089,-0.30672477,-2.96729270

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447235/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4421

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.369231

>  <SCORE.INTRA>
-8.9579

>  <SCORE.INTRA.DIHEDRAL>
-17.3964

>  <SCORE.INTRA.DIHEDRAL.0>
24.1488

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.259684

>  <SCORE.INTRA.VDW.0>
-7.44958

>  <SCORE.INTRA.norm>
-0.22969

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.139541

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000148

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  205.5371  190.6920  256.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1008  190.3908  254.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3177  190.8999  254.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7332  190.5893  252.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9512  189.7834  252.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7629  189.2576  252.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3454  189.5547  253.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3456  189.5443  250.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8011  188.8279  249.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7124  188.9285  248.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7726  189.7212  248.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5250  190.1037  250.2354 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9152  190.1335  248.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0848  190.4037  248.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4555  190.3582  250.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7587  189.9949  251.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7604  190.7918  250.2876 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2527  191.0048  249.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3879  191.3058  248.6976 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2155  190.7891  248.1248 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5292  190.9446  251.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8931  191.9005  252.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8607  191.6147  253.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3393  192.5371  254.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8538  193.7640  254.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8695  194.0582  252.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3799  193.1283  252.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3915  193.4437  250.7527 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.2012  191.7820  254.9843 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.8505  192.1167  256.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2654  192.1483  254.4607 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.3284  190.8967  247.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END
>  <CHROM.1>
-179.62954764,-151.77634886,-58.36534614,138.16443682,209.89622967,191.03021893
251.84916068,-2.66636803,-0.38227198,-1.97179730

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447236/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.83472

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-4.56528

>  <SCORE.INTRA.DIHEDRAL>
-8.51054

>  <SCORE.INTRA.DIHEDRAL.0>
14.4176

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.310013

>  <SCORE.INTRA.VDW.0>
-2.38787

>  <SCORE.INTRA.norm>
-0.147267

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.155959

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  222.9770  205.4636  250.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9740  204.5653  249.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5098  203.4453  250.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4899  202.5134  249.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2315  203.2651  249.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9026  203.5195  248.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5538  203.6460  250.5561 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1744  204.5968  250.4427 Si  0  0  0  0  0  0  0  0  0  0  0  0
  215.9862  203.9157  249.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3284  204.7385  252.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6384  206.5255  249.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2464  206.4935  248.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3445  207.3690  249.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6508  207.1283  250.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
179.55319727,-63.67137812,109.66324847,175.49821641,48.24186825,63.40638551
218.73236241,204.79126116,249.95409785,-0.30616826,0.05564271,0.06115272

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447237/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2928

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.814286

>  <SCORE.INTRA>
-1.10717

>  <SCORE.INTRA.DIHEDRAL>
-1.34651

>  <SCORE.INTRA.DIHEDRAL.0>
2.78567

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.433912

>  <SCORE.INTRA.VDW.0>
-1.30411

>  <SCORE.INTRA.norm>
-0.0790833

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.735202

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  212.2908  185.4431  249.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0738  184.3081  250.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5505  182.8280  250.0835 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.2673  182.8701  251.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7527  182.7972  252.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1756  182.2168  252.8620 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7868  181.8096  251.5418 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.8174  181.3102  250.4596 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3872  181.0746  249.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4258  182.2445  248.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8280  182.5633  248.5611 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0336  183.2083  247.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0678  183.7616  247.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3684  181.2445  248.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2149  181.2327  251.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1322  182.4072  252.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5766  183.1739  253.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3822  183.9499  254.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8283  184.8305  255.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5759  185.6270  255.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3514  184.7788  255.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7256  183.4623  255.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0800  183.2843  253.5431 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.2336  181.1190  248.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  1  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 14  1  0  0  0  0
 12 13  3  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
M  END
>  <CHROM.1>
-78.64391051,-26.32543157,-60.73257246,213.75975803,183.06637942,251.50400509
-1.99337622,0.30668593,1.40722015

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447238/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.81965

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-0.580354

>  <SCORE.INTRA.DIHEDRAL>
-0.389279

>  <SCORE.INTRA.DIHEDRAL.0>
1.66451

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.385715

>  <SCORE.INTRA.VDW.0>
1.11818

>  <SCORE.INTRA.norm>
-0.0252328

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.296506

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001338

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  192.8010  215.1381  272.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8770  214.8772  271.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2461  215.1347  271.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2309  214.8865  270.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8333  214.3117  269.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4542  214.0831  268.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4971  214.3635  269.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6673  213.9309  267.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4883  215.2954  270.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5327  214.3530  270.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3276  213.2524  271.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0621  213.1730  272.8001 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2438  212.4304  271.5637 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8367  211.4232  272.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2023  211.5384  273.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7561  210.6143  274.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9510  209.5548  274.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5774  209.4345  273.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0101  210.3677  272.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5391  210.1332  270.8076 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4775  210.9743  270.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6951  215.6626  272.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9367  212.3581  270.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
119.63540831,-63.36399346,-113.89852188,22.71213335,-75.65716319,196.08275847
212.96414599,271.45666145,1.80536786,-0.35811572,-0.54465206

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447239/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.26882

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-3.13118

>  <SCORE.INTRA.DIHEDRAL>
2.62701

>  <SCORE.INTRA.DIHEDRAL.0>
7.74855

>  <SCORE.INTRA.POLAR>
0.00369242

>  <SCORE.INTRA.POLAR.0>
-0.00369242

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.45723

>  <SCORE.INTRA.VDW.0>
1.62399

>  <SCORE.INTRA.norm>
-0.142326

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.330401

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  212.7052  198.1566  249.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4427  198.2328  248.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7550  197.1934  248.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4754  197.7842  247.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5757  197.1354  247.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5624  199.1618  247.8208 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8146  199.4573  248.3806 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6360  200.1824  247.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9289  201.5234  247.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0113  202.5374  247.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7793  202.2226  246.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4737  200.8974  246.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4007  199.8870  246.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0014  195.8506  248.0351 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0894  195.4854  248.5228 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3811  194.1239  248.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5974  193.6315  248.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0046  192.3167  248.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1983  191.4547  247.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9766  191.9452  247.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5735  193.2625  247.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6103  190.0837  247.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9997  189.1174  246.8167 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8254  188.0113  246.8907 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8821  188.3799  247.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8201  189.6849  247.9823 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2032  187.3310  247.9767 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.7727  200.0350  249.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9167  188.2411  248.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
-2.42191684,-178.00268674,178.37752935,178.48148684,179.77270081,211.59139592
194.94627685,247.78607524,-2.13491149,0.48530910,-2.86885152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447240/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.63399

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-6.76601

>  <SCORE.INTRA.DIHEDRAL>
-15.0815

>  <SCORE.INTRA.DIHEDRAL.0>
15.182

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.774755

>  <SCORE.INTRA.VDW.0>
-0.99227

>  <SCORE.INTRA.norm>
-0.250593

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.134592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001805

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  204.6271  201.2565  249.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1478  201.1484  249.7444 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6181  201.6247  248.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5100  203.1428  248.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2328  203.8911  249.2996 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.8030  203.4258  250.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8790  201.9079  250.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0445  205.4179  249.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9704  206.0000  249.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2698  206.0034  249.0652 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2495  205.0636  249.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4567  205.2312  248.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6669  203.8214  249.1284 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5112  207.4067  249.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9743  207.8887  250.4666 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8762  207.1391  251.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6036  206.9393  252.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4114  206.1147  253.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4959  205.4649  253.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7634  205.6324  253.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9445  206.4493  252.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2350  202.9842  249.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.0194  208.8950  250.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
51.73836038,30.96362870,-120.12763043,207.47817999,204.78826093,250.33085974
2.18066476,-0.96058624,-2.18487311

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447241/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.16382

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.23618

>  <SCORE.INTRA.DIHEDRAL>
0.31973

>  <SCORE.INTRA.DIHEDRAL.0>
3.06584

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.39605

>  <SCORE.INTRA.VDW.0>
-0.883784

>  <SCORE.INTRA.norm>
-0.106485

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.293515

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000100

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  212.2886  195.3732  241.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2537  194.7185  242.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9122  193.5737  242.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8370  192.8674  240.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1740  192.6549  240.0165 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.9309  193.9235  239.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4638  195.1813  239.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3129  193.6454  239.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2322  192.7569  237.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4489  191.4507  238.1112 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0105  191.7302  238.7199 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3940  190.3586  239.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4071  189.3115  237.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7865  189.0933  237.3672 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4947  190.4092  236.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8562  190.9147  235.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9690  190.0789  236.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5895  188.3560  238.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0614  192.4420  237.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4872  195.3783  243.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3261  194.9684  244.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7091  188.8869  239.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-178.32118128,121.15943435,-61.32614418,-63.03854516,215.21929288,192.28951877
239.37252734,2.07917366,0.79854418,0.46225035

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447250/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.56819

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.83181

>  <SCORE.INTRA.DIHEDRAL>
-2.96912

>  <SCORE.INTRA.DIHEDRAL.0>
3.23695

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.34725

>  <SCORE.INTRA.VDW.0>
0.845959

>  <SCORE.INTRA.norm>
-0.134848

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.265152

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000714

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  198.4629  209.6802  254.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7320  210.4959  255.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1212  211.7685  254.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6802  210.8646  256.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4366  211.1718  257.2380 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6714  209.6746  255.9774 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0806  208.9713  256.9311 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0700  208.0677  257.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7343  206.8107  258.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2698  208.8038  258.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1664  207.6903  256.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4507  207.3873  255.5573 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  3  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <CHROM.1>
85.69322139,149.97932356,196.90583893,209.28193573,256.42601104,0.65657209
-0.69728064,-1.17347064

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447251/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.18386

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-1.21614

>  <SCORE.INTRA.DIHEDRAL>
-2.09479

>  <SCORE.INTRA.DIHEDRAL.0>
4.78426

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.168742

>  <SCORE.INTRA.VDW.0>
1.31475

>  <SCORE.INTRA.norm>
-0.101345

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.515322

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000584

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  202.5087  207.9178  245.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8353  207.6332  247.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2433  208.5698  246.2026 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8095  208.0068  245.4441 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.4647  208.9328  244.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9493  206.5964  245.1577 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6132  208.1938  246.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4143  209.3770  247.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4301  209.4267  248.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6867  208.2879  248.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8654  207.1260  247.9904 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8295  207.1005  247.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3039  210.8267  247.1264 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-101.52937357,51.93554694,199.33105286,208.51138239,246.60619213,-0.33152964
0.49652641,0.30051922

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447252/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24671

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.153286

>  <SCORE.INTRA.DIHEDRAL>
0.0372594

>  <SCORE.INTRA.DIHEDRAL.0>
2.11734

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.171916

>  <SCORE.INTRA.VDW.0>
-1.3133

>  <SCORE.INTRA.norm>
-0.0117913

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.55744

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000711

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  190.7667  215.5110  256.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7272  215.3292  256.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6927  214.1770  255.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6760  213.2007  255.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7086  213.3735  256.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7474  214.5263  257.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7953  214.7133  258.0254 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9584  213.5341  258.2668 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.4841  213.1201  256.9831 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8299  214.0320  259.3087 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0369  212.1705  258.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7659  211.0508  258.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0581  209.9728  258.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6576  210.0102  260.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9383  211.1259  260.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6354  212.2049  260.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9815  208.9370  260.6076 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6263  208.8925  260.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2188  208.8685  262.0051 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6733  208.8990  259.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8293  210.0332  259.8324 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4302  211.2579  259.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3725  211.9507  261.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9918  213.1940  261.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6857  213.7381  260.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7577  213.0502  258.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1285  211.8076  258.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4685  215.2605  260.2635 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.6986  214.0071  254.3866 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.7817  215.4945  258.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5114  208.2773  261.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
177.59292035,50.02974962,105.82575629,-102.22259470,-113.83319858,-122.10207581
63.16795484,-114.89416929,190.95838743,212.53715731,258.78177720,1.17927008
-0.14180862,-0.75238315

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447253/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.28655

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-10.1134

>  <SCORE.INTRA.DIHEDRAL>
-9.3469

>  <SCORE.INTRA.DIHEDRAL.0>
17.9769

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.44

>  <SCORE.INTRA.VDW.0>
-3.37931

>  <SCORE.INTRA.norm>
-0.34874

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.113329

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000241

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  196.8639  220.3316  258.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7310  220.4540  257.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7758  219.7011  256.7425 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7692  219.7256  255.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7357  220.9549  254.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6635  221.0195  253.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7405  219.8506  252.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8696  218.6059  253.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8403  218.5230  254.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8557  217.2526  255.1585 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9956  216.9584  256.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1823  215.5118  256.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9549  217.5705  252.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8593  216.5059  252.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7724  215.4862  251.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4980  222.3690  252.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4858  222.4686  251.4908 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4950  223.4083  253.6247 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4489  223.5952  254.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0863  223.6470  254.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1289  223.8707  255.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4858  224.0104  256.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8366  223.9165  256.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8030  223.7026  255.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4627  223.6348  256.4274 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.4451  224.2227  257.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5575  223.4225  252.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9168  224.2697  253.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.87553935,52.48271120,177.05543408,140.98668432,40.87599688,-179.75501360
179.68643230,-67.63757551,-52.15819161,197.04219733,220.83309069,254.88284298
2.85678437,1.24478745,-0.98579071

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447254/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25873

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-8.14127

>  <SCORE.INTRA.DIHEDRAL>
-5.53117

>  <SCORE.INTRA.DIHEDRAL.0>
13.5398

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.37568

>  <SCORE.INTRA.VDW.0>
2.76765

>  <SCORE.INTRA.norm>
-0.301528

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.231805

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  191.6930  195.7845  248.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9039  195.0509  248.8329 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9515  195.0249  247.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1259  195.6416  246.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8089  193.9829  248.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8215  193.4318  247.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5158  192.2397  248.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5269  191.7054  247.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1446  190.4452  247.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1586  189.9346  247.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7887  188.7360  247.4396 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8465  188.1707  246.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3227  186.9025  247.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3581  186.2838  246.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9371  186.9232  245.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4809  188.1824  244.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4454  188.7973  245.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3390  193.5328  249.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1516  194.2150  249.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2339  193.9072  251.2266 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.4281  188.1665  248.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 19  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
179.98803105,-179.73483508,-178.38526705,196.86310207,191.67614474,247.95015554
-2.93934130,-0.70092858,2.31029107

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447255/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.28246

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.117541

>  <SCORE.INTRA.DIHEDRAL>
-0.253009

>  <SCORE.INTRA.DIHEDRAL.0>
0.259103

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00896302

>  <SCORE.INTRA.VDW.0>
-0.390751

>  <SCORE.INTRA.norm>
-0.00587707

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.414123

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003692

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  200.2395  193.1557  248.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2501  193.9955  247.9371 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2392  194.7328  248.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8822  195.8366  249.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6399  196.8383  248.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6569  196.1649  247.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9910  195.0412  247.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0937  195.0459  245.8120 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4161  193.9691  245.2285 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3152  194.4751  244.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
112.93042018,199.46290744,194.90127198,247.40604756,1.12774453,1.42073938
1.71852580

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447256/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.66293

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.737068

>  <SCORE.INTRA.DIHEDRAL>
-1.69627

>  <SCORE.INTRA.DIHEDRAL.0>
1.99987

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.111068

>  <SCORE.INTRA.VDW.0>
-0.330045

>  <SCORE.INTRA.norm>
-0.0737068

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.566293

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003286

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  227.2183  176.8660  238.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3292  176.2044  239.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2190  174.9761  239.0509 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7154  177.0580  240.0017 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1807  176.5750  241.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3267  177.3701  242.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8455  176.9256  243.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1956  175.6668  243.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0165  174.8512  242.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5013  175.2999  241.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5638  178.4506  239.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9253  178.8819  238.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7908  180.2446  238.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2987  181.1799  239.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9333  180.7668  240.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0605  179.4027  240.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1348  183.0245  238.8157 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-166.33794252,54.47948586,225.33387345,179.01339304,240.01275958,-1.55663757
1.12011176,-0.39018004

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447257/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.22991

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.170087

>  <SCORE.INTRA.DIHEDRAL>
-1.53708

>  <SCORE.INTRA.DIHEDRAL.0>
10.9062

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.598452

>  <SCORE.INTRA.VDW.0>
-0.452085

>  <SCORE.INTRA.norm>
-0.0100051

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.425289

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000885

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 52  0  0  0  0  0  0  0  0999 V2000
  205.3972  218.3524  248.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8752  219.8905  248.1498 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.1017  220.9771  249.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9476  222.0407  248.7617 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5351  223.4787  248.4836 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.8624  224.0297  249.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2133  225.4433  248.6460 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8826  226.1003  248.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3207  226.1317  250.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8545  226.5249  250.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7695  225.9413  250.5431 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6504  226.7608  250.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7468  226.1466  249.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8098  227.7261  249.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0382  227.3955  248.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8656  226.1003  247.6920 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4302  224.4975  247.6351 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1577  223.5844  246.1996 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3481  222.4071  246.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2604  221.4045  247.3377 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8238  220.7707  246.7597 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1032  222.0637  246.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2770  222.2992  246.7169 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7617  221.6292  247.8218 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7248  220.6950  247.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0029  223.5623  245.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4672  224.6465  244.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1707  224.6877  242.7494 Si  0  0  0  0  0  0  0  0  0  0  0  0
  209.7294  223.6923  242.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1591  224.1291  241.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5096  226.4415  242.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7992  219.6691  245.7762 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5525  219.9313  244.0771 Si  0  0  0  0  0  0  0  0  0  0  0  0
  206.9725  220.8975  243.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6796  218.2962  243.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0482  220.9254  243.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0679  220.3289  247.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1133  223.8969  244.7532 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7840  224.8122  243.8029 Si  0  0  0  0  0  0  0  0  0  0  0  0
  200.6816  224.0132  243.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9754  226.1995  244.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1953  224.6535  241.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2658  224.3971  248.3681 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.2644  226.5346  246.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4673  226.0895  248.9816 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0801  227.6043  248.4449 Si  0  0  0  0  0  0  0  0  0  0  0  0
  209.4547  227.4886  246.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0314  229.1154  249.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6783  228.6947  248.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 21  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5 17  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  1  0  0  0
  8 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  6  0  0  0
 17 18  1  0  0  0  0
 17 43  1  1  0  0  0
 18 19  1  0  0  0  0
 18 38  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  1  0  0  0
 21 22  1  6  0  0  0
 21 32  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  0  0  0  0
M  END
>  <CHROM.1>
179.09314382,117.32495596,-72.98589016,14.53316449,172.54884381,-154.81833268
106.02517485,61.60370205,-53.18290279,67.13628374,-63.96349375,-67.36579709
205.71748367,223.95922415,246.50301542,1.59146802,-0.40219753,-2.48186950

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447266/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-14.949

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355102

>  <SCORE.INTRA>
-32.349

>  <SCORE.INTRA.DIHEDRAL>
-10.6264

>  <SCORE.INTRA.DIHEDRAL.0>
17.2049

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-27.0357

>  <SCORE.INTRA.VDW.0>
18.6999

>  <SCORE.INTRA.norm>
-0.660183

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
49

>  <SCORE.norm>
-0.305081

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002481

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  207.0028  194.3338  249.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8595  194.8586  250.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4310  195.2108  251.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1627  195.9993  249.8282 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3645  195.6302  248.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1947  194.4392  248.5038 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6156  196.6818  247.9596 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8092  197.3974  247.2625 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3915  196.5614  246.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5059  196.5862  245.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3772  197.3878  245.6705 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.6280  196.5588  246.7412 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.2567  197.2891  246.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3476  197.1357  247.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1636  198.0260  245.4790 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4158  198.0959  244.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9419  198.4755  244.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8238  197.4298  244.5583 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2763  196.2217  243.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4267  195.1009  244.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1935  195.5143  245.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2229  196.9493  245.7749 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0872  198.3582  246.4839 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 23  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  2  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
73.70619879,5.32269369,67.29652327,-49.04384200,-58.02903687,202.57586292
196.51691728,246.89908383,0.59948003,0.23661982,2.20604113

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447267/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.15798

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-3.24202

>  <SCORE.INTRA.DIHEDRAL>
-4.07656

>  <SCORE.INTRA.DIHEDRAL.0>
7.97903

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.20373

>  <SCORE.INTRA.VDW.0>
-0.1214

>  <SCORE.INTRA.norm>
-0.140957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.311217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030387

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  197.7034  209.1158  258.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9266  208.4694  257.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6978  207.0689  257.5832 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7425  206.4086  257.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8102  206.9280  256.7076 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3849  204.9580  256.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6065  204.1951  257.9005 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.4084  208.4921  259.7554 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3335  208.9921  260.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6258  209.9069  260.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0994  208.2780  261.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3865  207.1205  261.6013 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
60.81278371,-179.92409394,-179.86012133,0.19795770,-84.46953870,0.36926358
-83.59286979,197.95639907,207.41581863,258.85957507,-2.80610627,-0.82553578
2.93101944

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447268/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0168

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03333

>  <SCORE.INTRA>
-2.38318

>  <SCORE.INTRA.DIHEDRAL>
-3.64658

>  <SCORE.INTRA.DIHEDRAL.0>
6.30408

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.559892

>  <SCORE.INTRA.VDW.0>
1.3083

>  <SCORE.INTRA.norm>
-0.198599

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.834735

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.089122

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 38  0  0  0  0  0  0  0  0999 V2000
  183.2330  212.9627  252.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1788  214.1152  252.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5031  213.9239  252.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4581  215.0738  252.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7730  214.8756  253.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7336  216.0099  252.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0416  215.8229  253.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8325  216.1089  255.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1320  215.9145  255.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9410  216.2312  257.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2691  216.0594  258.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2844  217.1123  257.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5916  216.9768  258.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6293  218.0660  258.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8636  217.9377  258.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5255  218.1833  260.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7792  218.3802  261.3348 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.7194  217.1778  261.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5230  219.6472  260.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2218  218.4905  262.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2845  219.6813  263.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0145  219.4796  262.3747 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3202  220.6322  261.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5075  220.3028  260.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3069  219.5870  260.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4601  219.3566  259.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7854  219.8515  258.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0096  220.4895  258.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8641  220.7109  259.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8636  219.6304  257.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5541  220.7724  256.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2153  218.4617  262.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5576  218.6748  264.0275 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7540  217.6859  264.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5778  216.4933  263.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3031  216.3558  262.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1212  217.3091  262.1918 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
179.52911316,179.60006963,178.90637128,179.34435002,-72.28559398,179.60054130
178.63411674,-178.57386349,67.82309887,176.70223630,-176.24957676,175.58905542
-64.85262605,-167.01083250,-56.66864763,-62.38846259,69.91640641,-143.34362919
149.07078793,74.70153600,73.06299776,132.89419744,192.49029380,217.66203124
258.66071091,2.37496681,-0.30246385,-1.67835511

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447269/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
21.7064

>  <SCORE.INTER>
27.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
22

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.740541

>  <SCORE.INTRA>
-5.69365

>  <SCORE.INTRA.DIHEDRAL>
0.53023

>  <SCORE.INTRA.DIHEDRAL.0>
7.03609

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.95876

>  <SCORE.INTRA.VDW.0>
3.87178

>  <SCORE.INTRA.norm>
-0.153882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.586658

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017742

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  182.2693  214.3522  259.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2111  215.4280  259.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6831  215.3133  258.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.7062  216.2149  258.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3182  217.0894  258.9564 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.2425  215.9956  256.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9157  214.7708  256.7833 S   0  0  0  0  0  0  0  0  0  0  0  0
  178.5103  212.9804  257.7503 P   0  0  0  0  0  0  0  0  0  0  0  0
  178.0528  213.7100  259.5862 S   0  0  0  0  0  0  0  0  0  0  0  0
  177.1313  212.2152  257.1433 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.1014  211.4912  255.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.7279  210.9110  255.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9956  211.5194  258.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3219  211.4003  259.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5222  210.0535  259.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
179.71813863,2.02179621,88.02554945,-54.62106717,84.44187231,92.33012331
-63.72072895,179.64502486,179.32413693,178.92437123,213.59061720,258.14331139
-0.72491441,0.70329015,3.00751206

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447270/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.0151

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.96

>  <SCORE.INTRA>
-11.3849

>  <SCORE.INTRA.DIHEDRAL>
-7.61036

>  <SCORE.INTRA.DIHEDRAL.0>
10.4836

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.57972

>  <SCORE.INTRA.VDW.0>
4.39516

>  <SCORE.INTRA.norm>
-0.758994

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.201006

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012234

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  202.3998  199.1859  250.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4534  200.7056  250.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8238  201.3288  250.0850 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.9542  202.4379  249.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8968  201.2935  249.2193 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2463  200.4192  248.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2800  199.7474  247.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7251  200.2491  247.7696 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.5875  200.5001  249.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1277  201.1649  246.7505 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8712  201.3609  251.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6262  200.9594  245.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  6  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-60.99963475,202.87100533,200.76452448,249.15345517,1.90683938,0.53466865
1.34698520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447271/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.11655

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.490909

>  <SCORE.INTRA>
-3.28345

>  <SCORE.INTRA.DIHEDRAL>
-5.77296

>  <SCORE.INTRA.DIHEDRAL.0>
5.80528

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.396963

>  <SCORE.INTRA.VDW.0>
0.198542

>  <SCORE.INTRA.norm>
-0.298495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.192414

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000715

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  216.9200  188.1085  243.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6778  188.9439  243.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0743  188.4689  245.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0105  190.4473  243.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4773  190.9977  242.7098 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7310  191.4956  242.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8655  191.8502  241.1855 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6448  191.6170  240.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7620  191.1135  241.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4120  190.8089  241.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6132  190.3651  242.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0954  191.0721  239.8992 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9799  191.5882  238.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6111  191.8016  237.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2867  191.8495  239.3372 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2266  192.3839  238.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7419  190.8173  239.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
63.47519142,-114.11882482,215.62400748,190.78608446,241.30671938,-1.45183535
-0.27839271,-1.08807900

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447272/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.06112

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.338875

>  <SCORE.INTRA.DIHEDRAL>
0.0176808

>  <SCORE.INTRA.DIHEDRAL.0>
2.43979

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.347716

>  <SCORE.INTRA.VDW.0>
-0.746127

>  <SCORE.INTRA.norm>
-0.0199338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.41536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002810

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  200.7008  215.2995  239.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9412  215.6704  239.1032 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9388  214.7299  239.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0893  215.0644  239.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1149  214.1158  240.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0385  212.8559  239.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9060  212.5656  238.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8728  213.4889  238.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1488  211.8357  239.6717 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.8611  211.4411  238.3651 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.3575  211.6412  238.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9029  210.4651  239.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0383  209.3563  238.7010 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.6846  209.9379  238.2651 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4949  209.6797  239.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6070  210.6219  240.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0483  208.3593  239.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8696  208.7805  241.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9065  207.8768  242.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1534  206.5162  241.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2959  206.0849  240.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2348  206.9958  239.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2230  205.6872  243.0656 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2897  204.7486  243.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7555  208.2612  243.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5332  208.9231  243.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1232  216.3062  240.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2546  217.1130  240.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  6  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  1  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-116.23795889,-126.02719402,-118.74057171,48.52839027,58.86296603,-134.90433462
206.14478713,210.89792963,240.27793806,2.42434149,0.84563177,-0.97640800

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447273/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.25714

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-2.14286

>  <SCORE.INTRA.DIHEDRAL>
10.0885

>  <SCORE.INTRA.DIHEDRAL.0>
4.39773

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.18712

>  <SCORE.INTRA.VDW.0>
7.23704

>  <SCORE.INTRA.norm>
-0.0765308

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.330612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000274

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  185.5648  218.0856  256.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2446  216.9260  257.7533 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4733  215.7572  257.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9197  215.6713  255.9582 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0767  214.5921  257.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6898  214.0763  257.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6241  215.1770  257.5312 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.2247  214.6497  257.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6103  214.8501  256.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3481  214.3150  255.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6846  213.5749  256.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.2734  213.3836  258.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5307  213.9236  258.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6662  215.8882  258.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4952  216.3928  258.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
0.80506838,99.13365195,-51.80151675,-174.30664363,-107.37271776,69.53870680
182.70727629,215.14208177,257.28971061,0.16258298,-0.36453675,-1.09365983

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447274/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.66856

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-3.73144

>  <SCORE.INTRA.DIHEDRAL>
-0.313165

>  <SCORE.INTRA.DIHEDRAL.0>
4.2254

>  <SCORE.INTRA.POLAR>
-0.918906

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.450576

>  <SCORE.INTRA.VDW.0>
1.88512

>  <SCORE.INTRA.norm>
-0.266531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.476326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034423

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  186.6438  207.7136  254.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5581  208.3605  255.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2885  209.4491  255.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1064  209.9050  253.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1917  209.2407  253.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4623  208.1518  253.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8936  211.0864  253.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0983  212.3930  253.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7441  212.7044  254.8336 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0724  212.0196  255.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2717  213.6072  254.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-97.41427297,61.16706954,-67.72258729,187.66780661,209.99161728,254.20969596
-2.68776220,-1.26723434,-1.22873425

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447275/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.00803

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-0.391967

>  <SCORE.INTRA.DIHEDRAL>
0.0303887

>  <SCORE.INTRA.DIHEDRAL.0>
0.746067

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.407161

>  <SCORE.INTRA.VDW.0>
-0.350042

>  <SCORE.INTRA.norm>
-0.0435519

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.889781

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.103420

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  220.9008  182.3195  239.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0432  182.1965  240.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5246  182.0546  241.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6498  181.9351  242.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0794  180.7080  243.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0862  180.6557  243.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6468  181.7213  244.4568 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.1425  182.9024  244.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1411  183.0612  243.2229 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.7183  184.1422  244.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8784  184.7227  243.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4453  185.9737  244.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6495  179.3007  244.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9609  178.6465  245.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5313  177.2761  245.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.88119392,-91.10183341,-90.83760291,91.09346329,179.98389405,-179.95978969
223.76671076,181.84160263,243.40602031,1.74539172,-0.84022990,-0.34870407

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447276/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8028

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-0.597249

>  <SCORE.INTRA.DIHEDRAL>
-0.0641355

>  <SCORE.INTRA.DIHEDRAL.0>
2.16483

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.565181

>  <SCORE.INTRA.VDW.0>
-0.992418

>  <SCORE.INTRA.norm>
-0.0398166

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.720183

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001356

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 37  0  0  0  0  0  0  0  0999 V2000
  189.3183  212.2571  226.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9442  212.5550  228.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3562  211.2654  228.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9739  211.5561  230.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3901  210.2602  230.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9984  210.5504  232.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3953  209.2554  232.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9849  209.5505  234.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3360  208.2548  235.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9291  208.5503  236.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2883  207.2538  237.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8634  207.5395  238.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2380  206.2363  239.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8301  206.5149  240.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2561  205.2194  241.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9349  205.5408  242.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4695  204.3004  243.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4882  203.6035  242.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4012  202.4050  242.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5450  204.3898  242.0132 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6135  203.8443  241.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4621  204.9127  240.5050 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5675  205.7256  239.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4366  206.2760  240.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8141  207.8220  240.9229 P   0  0  1  0  0  0  0  0  0  0  0  0
  198.3359  208.2022  240.9237 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0007  207.0495  242.3555 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1914  209.3680  241.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5097  209.7650  241.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5689  208.9246  241.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0014  209.3219  241.5322 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.1982  209.0877  240.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2960  210.7835  241.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9928  208.4406  242.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0407  205.7972  241.4778 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1486  205.2311  242.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7104  205.2587  242.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9444  206.7927  242.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  1  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 38  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  1  31   1
M  END
>  <CHROM.1>
-179.49211725,-179.57159669,-179.62349980,179.16035506,-179.22528740,177.96340558
179.85457778,-179.62091692,-179.15781495,-179.21552849,179.30879585,-178.00830613
175.91631369,-176.37152414,60.13064461,-125.06518429,161.56365482,-60.86223642
54.44499263,76.36730523,88.15533020,156.67664166,89.52745675,-141.22180390
-69.00356698,175.38376536,-61.66472307,197.68506518,207.71653793,238.59374887
-2.39767637,0.46778528,2.37238377

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447277/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
23.4743

>  <SCORE.INTER>
31.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
26

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.872222

>  <SCORE.INTRA>
-7.92574

>  <SCORE.INTRA.DIHEDRAL>
4.97985

>  <SCORE.INTRA.DIHEDRAL.0>
5.79997

>  <SCORE.INTRA.POLAR>
-1.62161

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.90219

>  <SCORE.INTRA.VDW.0>
0.912554

>  <SCORE.INTRA.norm>
-0.220159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.652063

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001938

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  199.3299  197.6813  248.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6306  196.8360  247.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9501  197.2242  246.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0533  198.1821  245.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7442  199.4845  245.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6546  200.0669  245.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4469  201.2100  245.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3718  201.8512  246.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1880  202.8638  245.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0924  203.2307  244.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1495  202.6179  243.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3217  201.6249  244.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3372  201.0415  243.2619 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4867  200.0616  243.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5806  199.6523  242.9764 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0581  196.6348  245.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8538  195.9623  246.0779 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2313  196.8000  243.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9231  198.1126  243.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3610  198.2235  244.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9421  198.2327  241.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1733  201.3885  242.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-92.92133682,115.15314617,-37.60499189,84.32687071,63.01872530,200.06699594
199.32269887,244.86039283,-2.78286950,-1.27783550,-1.51003908

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447278/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.75845

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-2.64155

>  <SCORE.INTRA.DIHEDRAL>
0.471114

>  <SCORE.INTRA.DIHEDRAL.0>
4.29962

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.8771

>  <SCORE.INTRA.VDW.0>
-1.27735

>  <SCORE.INTRA.norm>
-0.125788

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.36945

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000217

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  207.5361  207.0676  248.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1819  206.8368  249.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3293  206.2821  250.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9651  206.0967  251.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1060  205.5073  252.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7534  205.2809  253.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4259  205.7398  254.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0570  205.6475  254.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5972  207.0247  255.4857 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4673  208.0685  254.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1686  209.2151  254.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1039  210.2378  253.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8203  211.3703  253.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8242  212.4537  252.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1508  212.5479  251.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3259  212.2739  250.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6333  212.4195  249.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1182  211.0871  249.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5610  210.0988  250.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4020  209.6380  251.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3408  209.7138  252.3227 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3988  209.1167  250.3617 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3245  206.9007  256.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6355  208.8168  250.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0978  207.7760  256.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  2  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
178.09462404,178.52394103,-177.75147490,-128.35471179,-129.01824992,61.83336123
-121.07630251,176.90809718,179.50060865,-111.86956686,114.33242647,119.20439515
-69.67947842,66.97859846,-124.96723827,-179.63976570,204.12243878,208.69626638
252.10902389,-0.59391439,-0.82856844,2.94956655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447279/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.5652

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.843478

>  <SCORE.INTRA>
-5.83482

>  <SCORE.INTRA.DIHEDRAL>
-1.56619

>  <SCORE.INTRA.DIHEDRAL.0>
3.87746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.05172

>  <SCORE.INTRA.VDW.0>
-0.139293

>  <SCORE.INTRA.norm>
-0.253688

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.589791

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 58 63  0  0  0  0  0  0  0  0999 V2000
  191.7262  222.0159  259.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8425  220.5260  259.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2207  220.0089  258.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5610  220.2115  260.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0585  220.1985  261.3143 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.5391  221.6153  261.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8613  222.6046  262.1118 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4229  223.7593  261.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7762  223.4545  260.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
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  188.4479  219.8495  259.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2242  219.2918  260.4581 N   0  0  0  0  0  0  0  0  0  0  0  0
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  190.3074  217.4234  261.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
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  189.3335  215.6735  259.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9852  215.9080  258.4931 S   0  0  0  0  0  0  0  0  0  0  0  0
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  190.9136  216.8918  255.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
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  189.5462  223.3055  257.2693 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2502  224.3594  256.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6027  215.2013  255.1748 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3295  216.6795  260.3978 N   0  0  0  0  0  0  0  0  0  0  0  0
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  190.6531  226.6581  263.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3870  225.3372  263.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8030  224.2487  263.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  5  4  1  6  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 47  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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 24 25  1  0  0  0  0
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 51 52  2  0  0  0  0
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M  END
>  <CHROM.1>
77.69439929,-70.91926427,176.90856808,152.12442891,-53.63481971,175.38006931
-166.59593069,-179.19064159,-58.47754305,69.91195167,77.22355996,-66.59281959
6.13008377,54.37444778,72.75087338,120.45424758,-120.91424116,190.26973654
220.26439696,258.43587574,-2.40971003,1.23590403,-1.76617450

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447280/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0964

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.414815

>  <SCORE.INTRA>
-12.3036

>  <SCORE.INTRA.DIHEDRAL>
-3.23436

>  <SCORE.INTRA.DIHEDRAL.0>
17.8157

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.6864

>  <SCORE.INTRA.VDW.0>
-1.93326

>  <SCORE.INTRA.norm>
-0.227844

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
0.186971

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007078

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  165.3637  283.6313  332.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  165.4642  283.8114  333.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.6509  283.9453  334.5218 N   0  0  0  0  0  0  0  0  0  0  0  0
  167.7386  283.8542  333.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.8259  283.7028  332.2828 C   0  0  1  0  0  0  0  0  0  0  0  0
  166.4502  283.6220  331.6652 N   0  0  0  0  0  0  0  0  0  0  0  0
  168.5647  284.8796  331.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.2003  286.0430  331.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
  169.7171  284.4809  331.0247 O   0  0  0  0  0  0  0  0  0  0  0  0
  169.0674  283.8496  334.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.1241  283.7092  333.9548 O   0  0  0  0  0  0  0  0  0  0  0  0
  168.8990  283.9271  335.8652 O   0  0  0  0  0  0  0  0  0  0  0  0
  166.3759  282.8992  330.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
  170.1346  285.2890  330.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
  167.9396  284.0020  336.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
176.66077257,-63.98600958,-179.72904161,-1.94121461,167.91629593,284.14446027
333.09232762,1.64664456,-0.15076649,-1.32728505

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447281/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31012

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-1.08988

>  <SCORE.INTRA.DIHEDRAL>
-2.56615

>  <SCORE.INTRA.DIHEDRAL.0>
3.6609

>  <SCORE.INTRA.POLAR>
0.494662

>  <SCORE.INTRA.POLAR.0>
-0.839543

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.48866

>  <SCORE.INTRA.VDW.0>
0.876532

>  <SCORE.INTRA.norm>
-0.0908235

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.525843

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011947

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  212.4111  195.2841  241.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9998  194.0933  240.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2060  194.5825  239.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7464  193.6517  238.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7823  194.1208  237.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2114  193.2681  236.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6144  191.9392  236.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6038  191.4731  237.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1735  192.3300  238.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0855  191.0366  235.3372 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1332  191.3233  234.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6273  192.4312  234.1665 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7691  190.1403  233.4286 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9148  189.7939  232.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4251  188.9906  234.3042 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1199  189.0309  235.3419 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.0937  189.8343  234.7207 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8557  187.6646  235.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7464  189.9416  236.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6860  189.4016  237.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0755  190.1867  238.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5693  191.4722  238.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6663  192.0203  238.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2609  191.2503  236.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1422  193.4136  238.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3473  188.0579  237.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4715  190.1000  235.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.2299  188.4586  234.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.48896462,168.60139663,1.21441231,-69.99632888,63.46198680,32.85378898
-71.63550926,208.34432862,191.27705919,236.69466347,0.73892794,0.70375190
1.35839220

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447290/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.7193

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-7.6807

>  <SCORE.INTRA.DIHEDRAL>
-5.25318

>  <SCORE.INTRA.DIHEDRAL.0>
8.3699

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.05411

>  <SCORE.INTRA.VDW.0>
-1.08996

>  <SCORE.INTRA.norm>
-0.295412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.181511

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  199.6019  217.8308  255.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1957  216.6679  254.4655 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3497  215.6313  254.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1557  214.5869  253.3182 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6431  215.0705  252.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8516  213.3430  253.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8860  215.9767  254.9372 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6506  216.8813  254.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5959  214.7808  254.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4075  214.9003  252.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4196  215.9362  252.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2299  213.5715  252.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0447  213.5382  250.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8955  212.3187  250.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9725  211.1145  250.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0854  211.1551  252.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2367  212.3729  252.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7085  209.9057  250.1855 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5304  209.3227  250.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9296  209.3867  250.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
-170.16617368,60.44215307,86.60845431,-60.50655651,-2.13324170,-179.09063763
110.33451545,198.19922850,214.24106313,252.89570400,1.25159145,-0.10121748
0.58170465

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447291/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4268

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-1.97318

>  <SCORE.INTRA.DIHEDRAL>
1.00154

>  <SCORE.INTRA.DIHEDRAL.0>
1.36081

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.47395

>  <SCORE.INTRA.VDW.0>
1.83035

>  <SCORE.INTRA.norm>
-0.109621

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.579268

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001030

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  203.8542  196.9705  241.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4739  197.5020  241.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9675  198.6052  241.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5538  198.7074  241.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8048  199.6315  241.4545 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1578  197.4970  242.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4923  196.7939  242.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5742  199.4906  240.4633 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9323  200.1774  240.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.48029588,201.61510138,198.20050611,241.68951217,-0.48453018,0.28664658
-0.58294177

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447292/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.12736

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.675

>  <SCORE.INTRA>
-0.272641

>  <SCORE.INTRA.DIHEDRAL>
-0.000254774

>  <SCORE.INTRA.DIHEDRAL.0>
0.00221348

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.272514

>  <SCORE.INTRA.VDW.0>
0.193941

>  <SCORE.INTRA.norm>
-0.0340801

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.64092

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012458

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  198.1354  203.7584  247.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0593  203.2441  246.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7210  204.3886  246.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2254  205.5167  246.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2549  205.1268  247.5299 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6864  206.8560  246.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2119  207.8367  246.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7129  206.9144  245.4628 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1373  205.8074  244.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6995  204.5225  245.1488 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2126  201.7894  246.2431 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9134  201.3802  244.9349 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.2022  199.8941  245.1986 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5343  199.8657  246.7059 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0562  201.1530  247.2702 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0090  198.6398  247.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5826  198.5970  247.4229 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0863  199.0749  244.8535 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1614  202.0694  244.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7219  205.7576  248.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2305  203.7289  244.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5183  200.9893  248.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3161  198.5986  246.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8848  199.1685  243.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4990  201.7446  243.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 21  1  0  0  0  0
 11  2  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <CHROM.1>
160.30966049,-178.80749160,60.92533320,-62.37311879,56.67788897,199.71117802
202.86693996,246.19698537,1.54267895,0.89070798,0.01730096

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447294/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.06277

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-4.33723

>  <SCORE.INTRA.DIHEDRAL>
-2.30003

>  <SCORE.INTRA.DIHEDRAL.0>
4.24753

>  <SCORE.INTRA.POLAR>
-0.902978

>  <SCORE.INTRA.POLAR.0>
-0.630969

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.117089

>  <SCORE.INTRA.VDW.0>
-1.27643

>  <SCORE.INTRA.norm>
-0.228275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.161198

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002522

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  202.1208  209.8261  250.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9731  210.3363  252.1457 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4367  210.5444  251.7308 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4388  211.4584  250.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9651  212.5689  250.5318 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6751  210.9658  249.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2337  210.7114  249.7372 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5172  210.0086  248.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5546  210.4635  247.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0704  208.8037  248.2919 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5359  211.9517  249.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1681  211.0747  252.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8702  209.3700  253.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5646  208.4081  247.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5512  212.5088  249.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0976  211.1803  252.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3893  209.6903  253.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  1  0  0  0
  3  4  1  0  0  0  0
  3 12  1  1  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
-178.56643597,179.07155612,118.72016718,-176.57937003,179.84527802,202.96315499
210.62191009,250.46646659,2.50338591,-0.68673116,-1.06726163

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447295/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.92916

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-10.3292

>  <SCORE.INTRA.DIHEDRAL>
-19.518

>  <SCORE.INTRA.DIHEDRAL.0>
19.8181

>  <SCORE.INTRA.POLAR>
0.445359

>  <SCORE.INTRA.POLAR.0>
-0.445359

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.08441

>  <SCORE.INTRA.VDW.0>
1.87885

>  <SCORE.INTRA.norm>
-0.794551

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
-0.302243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006806

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 33  0  0  0  0  0  0  0  0999 V2000
  207.9519  190.7122  246.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2990  190.4014  246.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8975  190.5570  247.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1520  191.0160  248.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8024  191.3434  248.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2045  191.1870  247.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7675  191.0872  249.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1276  192.0421  250.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3322  193.3420  250.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0617  193.7464  249.5808 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5441  194.1543  251.2373 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3975  195.5636  250.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7555  195.7754  249.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5595  196.0233  249.4053 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6280  195.6921  248.4851 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2343  195.9020  247.0794 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.4441  196.0559  246.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5169  195.0516  246.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8237  195.1791  246.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4450  193.9604  246.8460 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5355  193.0940  246.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3425  193.7025  246.2027 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3358  194.7235  246.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7652  193.7813  245.9637 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0041  194.8112  247.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0742  193.8449  246.6135 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8576  193.7096  251.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5999  195.4264  248.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.4934  193.2415  245.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7209  195.4672  247.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4445  194.3065  245.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4575  193.6142  247.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  6  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <CHROM.1>
155.85312734,-70.20674825,-4.49293913,62.40558431,98.71779252,167.44586049
44.49092963,-100.68013477,-116.33912578,-109.11004294,208.79637437,193.60331463
247.96904269,-0.39145484,1.00622883,-0.77447204

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447296/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.2574

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.592308

>  <SCORE.INTRA>
-13.1426

>  <SCORE.INTRA.DIHEDRAL>
-8.35027

>  <SCORE.INTRA.DIHEDRAL.0>
15.835

>  <SCORE.INTRA.POLAR>
-1.52975

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.76632

>  <SCORE.INTRA.VDW.0>
-2.64281

>  <SCORE.INTRA.norm>
-0.505485

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0868232

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000242

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  195.8866  207.7790  252.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6990  208.5184  251.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6853  208.9469  252.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5760  209.6416  251.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4645  209.8904  250.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4688  209.4732  249.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5854  208.7940  250.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3988  210.5552  249.9332 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4129  211.0276  250.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3910  210.8711  252.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5403  210.1708  252.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6640  210.0999  253.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4013  211.4695  252.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1258  211.0320  252.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7537  210.1838  251.9102 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2152  211.9163  253.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8857  211.8021  253.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8528  212.7094  253.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5102  212.4756  253.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5163  213.3978  253.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8446  214.5523  254.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1760  214.7862  254.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1710  213.8761  254.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1193  213.1662  253.5104 N   0  3  0  0  0  0  0  0  0  0  0  0
  180.8666  212.1451  252.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.2772  214.0101  253.8489 O   0  5  0  0  0  0  0  0  0  0  0  0
  189.3782  211.7838  250.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0006  213.0614  250.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9817  213.7531  249.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3412  213.1679  248.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7104  211.8977  248.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7278  211.2054  248.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0812  214.0156  247.9358 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
>  <CHROM.1>
-128.85316622,64.05530174,1.03070630,172.32621890,176.57346559,188.09358797
211.69082136,251.71614445,-0.07898910,-0.40264536,1.83015642

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447297/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.9081

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-2.4919

>  <SCORE.INTRA.DIHEDRAL>
-4.73188

>  <SCORE.INTRA.DIHEDRAL.0>
11.7

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.125956

>  <SCORE.INTRA.VDW.0>
-2.1995

>  <SCORE.INTRA.norm>
-0.075512

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.23964

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  210.6789  188.8440  251.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2853  188.7037  250.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7004  189.3053  250.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3963  187.2015  250.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4241  189.3419  249.4849 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1171  190.6820  249.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5164  191.4903  250.3138 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2282  191.0869  248.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8512  192.3676  248.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0427  188.7578  248.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
61.24326251,179.96183058,210.60327820,189.86992407,249.90943060,-0.62341185
-0.93022151,0.31365984

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447306/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39992

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-7.87053e-05

>  <SCORE.INTRA.DIHEDRAL>
-0.00020378

>  <SCORE.INTRA.DIHEDRAL.0>
1.20016

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.31846e-05

>  <SCORE.INTRA.VDW.0>
1.23286

>  <SCORE.INTRA.norm>
-8.74504e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.822213

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002752

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  220.4859  195.0901  251.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6099  194.3301  252.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4598  193.2110  253.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2548  195.3519  253.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3597  193.7008  251.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1748  193.4991  252.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0421  192.9075  251.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0637  192.4850  250.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2365  192.6503  249.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3661  193.2497  250.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6660  191.6247  249.8612 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.2692  192.3709  250.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4806  191.5055  251.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4849  192.0111  252.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2985  193.3873  252.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0696  194.2798  251.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0514  193.7939  250.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7117  194.8285  250.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4848  196.1382  250.2999 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5693  196.4567  251.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8261  195.5773  251.8709 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3406  197.7955  251.4473 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5786  194.5827  249.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6863  198.3445  250.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3754  197.9309  251.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5369  194.8552  249.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.1981  195.0214  248.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <CHROM.1>
-151.41663966,33.06744929,-119.31034913,-115.20366323,19.13251353,215.23193693
193.87924591,251.23305043,-0.02805358,-0.11171247,0.19348469

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447307/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.12698

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-2.27302

>  <SCORE.INTRA.DIHEDRAL>
-0.580485

>  <SCORE.INTRA.DIHEDRAL.0>
6.07118

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.98277

>  <SCORE.INTRA.VDW.0>
1.30147

>  <SCORE.INTRA.norm>
-0.0988268

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.353347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000158

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  204.7527  203.0778  244.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2419  203.2807  244.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5952  202.4374  243.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6937  203.3897  245.7076 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4016  203.7256  246.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0059  203.7693  247.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7856  204.3840  247.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9371  204.8924  246.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2674  204.6593  245.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5262  204.2196  245.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6745  205.6938  246.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7551  207.1505  246.8583 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3161  207.9082  245.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0465  207.6392  244.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4379  208.3528  244.0766 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2769  209.8734  244.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6511  210.4856  245.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5847  211.8742  245.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1282  212.6707  244.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7305  212.0841  243.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8122  210.6971  243.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6442  207.7464  244.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6635  207.6206  246.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7451  206.9955  246.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8033  206.4885  246.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8398  206.5788  244.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7551  207.2002  244.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7497  205.9150  246.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1722  206.1188  248.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8964  206.7995  248.2415 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2458  207.7157  248.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6838  207.0277  248.9643 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2146  209.2035  248.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 30  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
172.16731689,178.91426802,94.14182574,103.50394417,-60.89064629,-79.86227591
-55.76692139,100.35531067,-57.79970339,200.46176757,206.84429420,245.86606032
-0.83977581,0.69114379,-0.58545550

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447308/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.94618

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-9.45382

>  <SCORE.INTRA.DIHEDRAL>
-2.86962

>  <SCORE.INTRA.DIHEDRAL.0>
10.2318

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.01901

>  <SCORE.INTRA.VDW.0>
-2.56619

>  <SCORE.INTRA.norm>
-0.28648

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.149884

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000608

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  216.0206  180.3686  236.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8345  181.6814  237.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4574  182.7959  236.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3684  183.8559  237.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7033  183.4027  238.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9963  182.0470  238.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3592  181.2731  239.3995 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4115  181.9928  240.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1596  183.2994  240.7291 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7995  184.0200  239.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4525  185.7390  239.8131 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.8609  181.1173  241.9385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.1655  185.9487  238.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
0.01382336,216.00199183,182.74525248,239.22629410,-2.52898381,-1.29085968
0.87117598

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447309/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39998

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-1.74355e-05

>  <SCORE.INTRA.DIHEDRAL>
-4.09049e-06

>  <SCORE.INTRA.DIHEDRAL.0>
2

>  <SCORE.INTRA.POLAR>
-4.99199e-06

>  <SCORE.INTRA.POLAR.0>
-0.0230012

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.58253e-06

>  <SCORE.INTRA.VDW.0>
-0.057924

>  <SCORE.INTRA.norm>
-1.45296e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.533332

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000645

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  191.3686  219.7192  256.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2577  220.3023  257.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9438  220.3245  258.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8216  220.9568  259.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0077  221.5515  259.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3153  221.5354  257.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4491  220.9180  257.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9185  222.2017  260.1608 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7831  222.3941  261.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8398  222.0162  262.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9509  223.1647  262.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8311  224.5760  261.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0250  224.9670  260.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5006  224.2365  259.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3852  226.2986  260.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0727  226.2889  259.7964 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9422  225.9041  258.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7547  226.0063  257.5838 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6930  225.1504  258.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2134  224.3790  257.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1790  223.4836  257.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6572  223.3825  258.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1353  224.2002  259.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1494  225.0828  259.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0052  225.8540  260.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8246  225.9374  261.7412 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4029  219.6900  259.5008 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.3362  220.4760  258.9204 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3986  218.2457  259.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4913  220.0298  261.1770 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3608  219.1742  262.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8412  218.9474  263.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2094  220.0574  264.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4369  221.3414  264.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7783  221.9773  262.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0329  221.3605  261.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7183  222.6408  259.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 36  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
-61.67800864,-2.13687732,81.27124110,-70.02754185,-13.13436758,-96.64008984
-71.38811364,-76.01800072,192.62390543,222.43156216,260.10714292,2.91668604
0.92370488,1.70557975

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447310/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.8244

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-7.5756

>  <SCORE.INTRA.DIHEDRAL>
0.709576

>  <SCORE.INTRA.DIHEDRAL.0>
6.71744

>  <SCORE.INTRA.POLAR>
-0.261711

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.04057

>  <SCORE.INTRA.VDW.0>
-1.19718

>  <SCORE.INTRA.norm>
-0.210433

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.161789

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  206.9845  200.0819  249.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2201  199.0085  248.3613 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3318  199.3578  247.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5442  198.3211  246.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2646  198.0476  245.5913 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2340  197.5996  246.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0019  198.7276  247.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3608  197.4602  244.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1481  198.2095  243.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2994  199.3890  243.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6617  199.7656  242.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9285  199.1353  240.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8711  198.1930  240.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6720  197.7228  241.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7342  197.0018  241.6507 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5772  196.5348  242.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0719  195.9247  243.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6979  196.1000  244.1930 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9159  195.3510  244.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2841  195.4621  244.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8133  196.1303  243.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9643  196.6388  242.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3294  194.8185  245.8630 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.6568  200.6973  242.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2210  195.7731  243.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5520  201.0376  243.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-105.22223496,2.98682988,208.27853176,197.60489945,244.47607731,3.00186228
0.64278837,-1.68174912

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447311/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94098

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-0.459018

>  <SCORE.INTRA.DIHEDRAL>
-0.280241

>  <SCORE.INTRA.DIHEDRAL.0>
0.77104

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.318897

>  <SCORE.INTRA.VDW.0>
-0.988572

>  <SCORE.INTRA.norm>
-0.0191257

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.247541

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000494

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  185.4936  226.5746  273.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6784  227.4572  273.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4978  228.8199  274.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5820  229.7068  274.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8888  229.1755  274.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0566  227.7920  274.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9727  226.9474  273.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0374  230.0783  274.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7989  231.2461  275.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3646  231.7063  275.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3927  231.1255  274.5782 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2336  231.8517  274.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9716  232.9484  274.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3381  231.3371  273.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5508  230.5182  272.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3370  230.2048  271.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2502  230.8563  271.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6850  231.8337  273.2022 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.3054  233.2552  275.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0019  231.1431  277.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1752  232.2670  275.5896 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.5543  230.8462  275.1871 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.4781  229.8239  274.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1322  228.7718  273.1092 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 23  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-28.95364885,188.12624664,230.41614693,274.20497855,-3.08953764,-0.24080664
0.35351461

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447312/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.12777

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-0.272231

>  <SCORE.INTRA.DIHEDRAL>
-1.67658

>  <SCORE.INTRA.DIHEDRAL.0>
4.37399

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.566061

>  <SCORE.INTRA.VDW.0>
-1.4002

>  <SCORE.INTRA.norm>
-0.011343

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.255324

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001587

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 27  0  0  0  0  0  0  0  0999 V2000
  195.5602  201.3666  250.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6123  201.4743  251.8874 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3188  200.2362  252.0157 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.1056  199.9283  250.6468 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.3231  199.0331  250.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2080  199.4127  251.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7748  200.5163  252.7935 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3477  200.1394  253.1467 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6234  200.1802  254.4594 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3504  201.3245  255.4642 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.5505  200.6289  256.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4264  199.9752  256.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0842  199.9129  254.7155 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.3476  199.4170  254.0013 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.3351  199.3040  252.5362 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5851  201.2758  254.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5744  201.3773  253.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2968  202.5296  254.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5420  202.5449  255.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8535  201.9115  252.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1982  202.8857  252.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4998  202.0798  250.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7246  201.2115  250.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
66.23678909,197.27971735,200.82919061,253.06780590,0.72321490,-0.07745448
-1.68682434

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447313/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-1.90775e-06

>  <SCORE.INTRA.DIHEDRAL>
0.000424717

>  <SCORE.INTRA.DIHEDRAL.0>
0.190335

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000214266

>  <SCORE.INTRA.VDW.0>
1.59757

>  <SCORE.INTRA.norm>
-8.29456e-08

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.278261

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005417

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  215.4678  178.0219  244.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1466  177.5122  242.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1287  178.3823  241.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4624  179.7322  241.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8156  180.2219  243.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8173  179.3654  244.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2591  179.8962  245.7530 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.2224  181.8961  243.1911 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.5688  177.9584  240.0491 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.8559  176.1234  242.6367 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7615  175.1912  243.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4998  173.9946  243.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4005  174.2703  241.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5459  175.5743  241.4281 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3413  172.8222  243.6704 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1476  172.1151  243.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
4.40251450,178.97982054,215.26952784,177.94785815,242.87822584,-0.54726064
1.28017590,2.36311119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447322/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.37114

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-1.02886

>  <SCORE.INTRA.DIHEDRAL>
-3.17877

>  <SCORE.INTRA.DIHEDRAL.0>
3.22361

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.560528

>  <SCORE.INTRA.VDW.0>
-0.288724

>  <SCORE.INTRA.norm>
-0.0685905

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.358076

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012925

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  193.8371  216.2802  219.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4342  215.8496  218.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7352  214.3509  218.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3326  213.8138  217.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5422  214.0021  215.9502 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3434  213.5917  214.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8579  214.0664  213.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8117  215.5875  213.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2901  215.9897  211.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3038  213.1827  216.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9664  213.8594  216.4135 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.5339  214.9573  215.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3914  216.0971  215.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3269  217.1264  214.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3809  217.2394  213.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4501  218.2913  212.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4541  219.2503  212.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3766  219.1747  213.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3237  218.1179  214.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2859  218.1318  215.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9794  212.8131  216.4975 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1404  213.2202  216.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
179.49372913,-58.21046996,172.45714962,-163.60321477,99.87402191,60.58999812
-178.51353616,61.51843787,-72.26272265,177.97541208,170.71759486,7.08195837
193.38189858,215.72689873,215.37697327,0.61020403,-1.34564358,1.35392352

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447323/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.30227

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.780952

>  <SCORE.INTRA>
-7.09773

>  <SCORE.INTRA.DIHEDRAL>
-3.83768

>  <SCORE.INTRA.DIHEDRAL.0>
7.2909

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.17889

>  <SCORE.INTRA.VDW.0>
0.967277

>  <SCORE.INTRA.norm>
-0.337987

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.442965

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000624

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  203.7617  193.4894  244.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4374  194.1340  245.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3904  193.3405  244.5602 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1075  193.7787  244.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6868  194.3687  245.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3386  194.6543  246.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4063  194.3676  245.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8230  193.8195  243.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1818  193.5570  243.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5792  192.9593  242.5106 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2320  193.4968  241.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8277  194.6110  241.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4233  192.3425  240.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0111  192.2490  239.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2835  193.2736  238.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2775  194.0236  238.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5710  194.9754  238.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8603  195.1879  236.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8662  194.4453  236.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5771  193.4905  236.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3212  195.8862  238.9876 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.0159  191.2992  241.0343 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0583  191.7038  242.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8461  190.7307  243.4713 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.2537  191.7195  244.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.10740972,-37.43381742,-131.77597482,-39.80336474,-23.72361673,199.00227134
193.58241666,241.65387324,-0.89091343,0.66831340,-1.80678086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447324/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.18158

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-5.21842

>  <SCORE.INTRA.DIHEDRAL>
-5.9594

>  <SCORE.INTRA.DIHEDRAL.0>
22.9063

>  <SCORE.INTRA.POLAR>
-0.976798

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.08239

>  <SCORE.INTRA.VDW.0>
-2.0326

>  <SCORE.INTRA.norm>
-0.217434

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.215899

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000100

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  185.8512  216.3367  254.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6959  215.7393  252.9643 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.0274  214.2463  253.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2615  213.5462  253.9284 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2602  213.7535  252.8354 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7389  212.4498  253.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5434  211.6312  252.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4416  212.4774  251.5004 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7790  213.6489  250.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2577  214.5159  252.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7682  212.1036  251.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1703  210.9921  251.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6543  213.0476  250.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8851  212.8544  250.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2874  214.1048  249.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3113  215.0012  249.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3419  214.3840  250.5553 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9853  215.9096  251.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5838  215.4874  250.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2343  214.2095  250.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7859  213.7029  248.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7066  214.4660  248.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0865  215.7221  248.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5331  216.2283  249.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3859  213.8579  246.7523 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.0968  213.2239  250.9508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
29.06528353,177.61926362,-163.88960606,96.40830681,188.76691751,213.92665661
250.83648658,-2.95920033,0.24916099,-1.40149369

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447325/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.75366

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-2.64634

>  <SCORE.INTRA.DIHEDRAL>
1.28696

>  <SCORE.INTRA.DIHEDRAL.0>
6.12172

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.28982

>  <SCORE.INTRA.VDW.0>
-0.167883

>  <SCORE.INTRA.norm>
-0.101782

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.259756

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 47  0  0  0  0  0  0  0  0999 V2000
  212.5501  207.0331  247.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5520  205.8692  247.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1462  205.6107  249.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7400  204.3482  249.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1497  203.9074  250.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9737  204.7255  251.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4143  205.9925  251.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9720  206.4287  249.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3207  206.8165  251.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8780  206.3218  253.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7107  207.1116  253.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0206  208.4123  253.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4973  208.9241  252.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6531  208.1370  251.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9410  203.7089  248.5925 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8165  204.5124  247.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2090  204.2404  246.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3699  203.0834  246.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6552  202.6286  245.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4417  203.1663  243.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9157  204.2288  243.2673 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5885  202.2876  242.9247 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2478  201.0932  243.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6652  199.9728  243.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5916  198.6612  243.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7846  198.4830  245.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3076  197.6220  242.9670 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9346  197.9418  241.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4528  196.9089  240.4689 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.0756  199.6810  241.4806 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.4087  196.2801  243.4406 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8184  201.1372  245.2232 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.1447  202.7230  241.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7793  202.7015  241.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3310  203.2111  240.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2414  203.7353  239.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6028  203.7473  239.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0538  203.2536  240.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5565  202.3220  248.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6532  206.1782  246.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0548  195.7914  242.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.5011  195.8340  243.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 32  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  2  0  0  0  0
 23 32  1  0  0  0  0
 24 30  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 31 41  1  0  0  0  0
 31 42  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
6.31331300,178.19182673,-128.55423032,-124.68391717,211.44941358,202.88521968
245.76137169,0.01450486,-1.00205807,-0.60305406

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447326/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30202

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.235

>  <SCORE.INTRA>
-2.09798

>  <SCORE.INTRA.DIHEDRAL>
-6.26711

>  <SCORE.INTRA.DIHEDRAL.0>
14.3322

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.03557

>  <SCORE.INTRA.VDW.0>
-2.41088

>  <SCORE.INTRA.norm>
-0.0524495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.18255

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000370

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  203.3287  193.7685  256.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9564  192.5544  255.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5310  191.7666  254.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4762  192.1867  253.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8496  193.4125  254.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2762  194.1986  255.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0262  191.3127  252.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3051  191.9444  251.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3693  192.2715  250.5600 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8201  192.9382  249.4193 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9569  193.3044  248.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7598  193.0714  248.2716 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7538  194.0405  247.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3190  194.4259  246.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2357  195.0396  245.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5643  194.6073  245.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3549  195.0271  243.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8211  195.8855  242.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5098  196.3430  243.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7214  195.9243  244.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9710  196.4567  241.3394 I   0  0  0  0  0  0  0  0  0  0  0  0
  203.3793  194.2813  247.8798 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.1360  193.3279  249.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1139  193.0391  250.0664 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7720  192.2110  251.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6109  191.6183  251.7622 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 25  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-113.41573395,-117.42996708,36.80728495,203.28641100,194.32796850,247.30757466
-1.71648128,-0.20174063,-1.29068233

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447327/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.52768

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-2.87232

>  <SCORE.INTRA.DIHEDRAL>
-9.06449

>  <SCORE.INTRA.DIHEDRAL.0>
14.152

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.65993

>  <SCORE.INTRA.VDW.0>
-2.16176

>  <SCORE.INTRA.norm>
-0.110474

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.212603

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000695

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  217.2280  189.0505  243.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4460  189.3818  242.1419 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1023  190.4611  241.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2622  190.9268  240.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9489  191.3493  240.6302 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2329  190.2663  241.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0744  189.7955  242.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2316  192.3674  240.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7121  192.1904  238.8376 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9596  193.1724  238.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1327  193.2519  236.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4064  194.1614  235.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4694  194.9933  236.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2565  194.9101  237.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9912  194.0057  238.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8415  194.0852  240.1695 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9773  194.3621  240.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1603  193.6260  240.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3120  194.0044  241.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2885  195.1254  242.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1211  195.8681  242.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9714  195.4869  241.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7107  195.5922  243.2018 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.0212  194.6126  240.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
69.90789272,214.38045158,193.07400331,240.57490927,0.17446758,0.90439659
-2.74483560

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447328/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33108

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-0.0689168

>  <SCORE.INTRA.DIHEDRAL>
0.00677399

>  <SCORE.INTRA.DIHEDRAL.0>
0.470523

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0723038

>  <SCORE.INTRA.VDW.0>
-1.27147

>  <SCORE.INTRA.norm>
-0.00299638

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.275264

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000457

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  218.2720  180.1096  248.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2689  179.5848  249.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3480  178.8231  249.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3649  178.3061  251.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2628  178.5254  252.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2265  179.3545  251.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2157  179.8620  250.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2757  178.1236  253.4060 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.5530  177.5004  251.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0478  178.5104  253.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2024  177.1178  253.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <CHROM.1>
56.38051909,218.55819094,178.88440575,250.88510026,-1.79998431,-0.47704745
1.92998397

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447329/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.65802

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.741977

>  <SCORE.INTRA.DIHEDRAL>
-0.148152

>  <SCORE.INTRA.DIHEDRAL.0>
0.609737

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.667901

>  <SCORE.INTRA.VDW.0>
0.265072

>  <SCORE.INTRA.norm>
-0.0824418

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.628669

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000116

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  207.9877  205.3321  255.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0575  203.8504  255.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3115  203.1260  254.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3915  201.4517  254.6755 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.9493  201.7351  256.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7776  203.0262  256.5418 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.1189  203.4542  257.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9093  204.3097  257.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6902  205.4209  258.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6971  206.3019  258.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8732  206.0604  257.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9710  204.9832  256.3734 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9797  204.1344  256.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0838  203.0875  255.6771 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8666  207.1145  256.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4649  203.5856  252.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2333  204.3827  252.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0055  203.7856  252.8375 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6616  204.7989  252.4377 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.6806  203.8322  253.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0539  205.8260  253.6382 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3176  205.8123  252.0378 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0484  203.4381  254.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2149  202.5516  255.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4137  205.6861  254.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7198  205.2471  251.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  CHG  1   6   1
M  END
>  <CHROM.1>
-55.32945057,45.41152181,-137.19093304,-126.77546527,-43.11134852,174.66328386
-177.96939183,-105.07961261,36.19596720,205.95117394,204.23519368,255.03204087
-0.19850791,-0.63662446,1.45902473

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447338/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.00254

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-9.39746

>  <SCORE.INTRA.DIHEDRAL>
1.91387

>  <SCORE.INTRA.DIHEDRAL.0>
7.53419

>  <SCORE.INTRA.POLAR>
-2.22894

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.77598

>  <SCORE.INTRA.VDW.0>
-2.63857

>  <SCORE.INTRA.norm>
-0.427157

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.136479

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000225

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 29  0  0  0  0  0  0  0  0999 V2000
  203.8125  206.1732  247.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3151  205.3613  246.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9043  204.8857  246.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8997  205.2006  245.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4610  204.7704  246.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4983  205.9533  246.3670 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0897  205.4511  246.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0238  206.7675  247.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4747  207.4659  248.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8999  208.2906  249.6898 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3244  207.7806  251.0250 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.2215  208.3810  252.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5492  208.3938  251.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6078  208.5064  252.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4282  208.2844  249.8874 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.0969  209.4647  249.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8913  209.4227  247.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8863  209.4101  246.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6433  209.3934  245.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3114  208.1956  244.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9771  208.0889  243.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5196  207.7679  242.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7160  207.4827  243.8007 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1742  207.8337  241.6201 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3328  206.3598  251.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4153  206.8104  245.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2353  207.6250  241.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7830  205.9551  250.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3123  207.1313  245.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  8  9  3  0  0  0  0
 10  9  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
120.86727813,114.14406944,-174.33559125,76.44250287,-58.93587072,70.38317294
-61.45210466,-62.09273588,-122.83286566,-123.03647526,174.98682413,-67.06308875
-7.40339043,179.72684542,200.97263339,207.36699776,247.24800463,-1.68533283
-0.53647425,-1.71495613

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447339/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.07843

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.630769

>  <SCORE.INTRA>
-9.32157

>  <SCORE.INTRA.DIHEDRAL>
-3.83423

>  <SCORE.INTRA.DIHEDRAL.0>
5.6637

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.00445

>  <SCORE.INTRA.VDW.0>
-1.29929

>  <SCORE.INTRA.norm>
-0.358522

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.272247

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002607

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  206.1297  199.9073  240.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9087  199.5062  241.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2966  199.1762  242.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8954  199.2368  242.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0864  199.6282  241.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7390  199.9722  240.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6288  199.6581  241.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6916  199.9132  240.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4328  199.6255  241.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6539  199.1741  242.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0050  199.2401  242.8613 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7031  198.6700  243.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6496  199.1010  244.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4809  200.1708  245.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3173  200.8236  244.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2152  200.2597  246.7983 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2773  199.3817  247.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6875  199.2378  248.8660 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.6235  198.3896  245.9976 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.9696  201.1963  247.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2047  200.9473  248.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8187  201.9107  249.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1976  203.1356  249.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9784  203.3896  247.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3758  202.4211  247.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0845  201.5931  251.3906 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.3244  198.8956  244.0847 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.5611  197.7585  244.5188 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7231  199.7891  244.6972 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <CHROM.1>
-174.35521921,-131.81533314,-151.59119982,201.88723421,200.02396076,245.40980787
-1.11650574,0.27944404,1.23617061

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447340/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.27923

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.289655

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-14.0777

>  <SCORE.INTRA.DIHEDRAL.0>
23.9513

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.91808

>  <SCORE.INTRA.VDW.0>
-3.02184

>  <SCORE.INTRA.norm>
-0.176578

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.113077

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  196.8387  200.7534  254.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7636  202.2180  254.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6024  202.5291  253.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4792  203.9078  252.7978 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3709  204.4554  251.4202 P   0  0  0  0  0  0  0  0  0  0  0  0
  197.1686  206.0700  251.2430 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.7826  204.6056  252.3775 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4579  205.9118  252.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7737  205.3339  253.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2626  205.0030  250.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9302  203.9237  249.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7157  204.4401  248.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4360  203.3060  247.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99434200,179.77032727,159.29985873,-123.03200095,-94.83489678,-179.32728129
-179.89927992,198.70530302,204.22072342,251.57980486,-2.77122802,0.99354774
-0.08287560

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447341/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.7557

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.953846

>  <SCORE.INTRA>
-0.64426

>  <SCORE.INTRA.DIHEDRAL>
-0.329011

>  <SCORE.INTRA.DIHEDRAL.0>
3.5397

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.479755

>  <SCORE.INTRA.VDW.0>
-1.173

>  <SCORE.INTRA.norm>
-0.0495585

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.904288

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.092397

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  199.0114  207.4265  263.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8150  206.7231  263.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7688  207.2824  262.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9412  208.5369  262.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1287  209.2493  262.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1682  208.6893  262.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2603  210.5358  261.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2567  211.0255  260.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9609  210.2832  260.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0235  210.7199  259.9409 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8686  209.0605  261.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3789  212.2344  260.0697 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5546  212.4193  259.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
179.88636441,197.23289140,209.39665862,261.63094639,-1.17293267,-0.36111829
-0.50576332

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447342/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.139

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-0.261004

>  <SCORE.INTRA.DIHEDRAL>
-0.019479

>  <SCORE.INTRA.DIHEDRAL.0>
0.0195094

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.251264

>  <SCORE.INTRA.VDW.0>
0.350682

>  <SCORE.INTRA.norm>
-0.0217503

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.42825

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018318

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  226.2722  184.8069  249.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8219  185.1986  249.4979 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.9013  186.1978  248.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7608  185.8183  247.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3752  184.4211  246.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8047  183.5022  247.7651 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.7307  184.1637  249.1368 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.5665  183.2749  250.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7358  184.2411  251.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2257  185.5240  250.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2223  186.6243  251.3999 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4650  182.2505  247.8160 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.4048  182.4019  248.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  1  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
61.20415004,224.42248469,184.62730597,249.20781727,-1.65361963,-1.24959628
-2.07528563

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447343/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.11396

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-0.28604

>  <SCORE.INTRA.DIHEDRAL>
-0.374769

>  <SCORE.INTRA.DIHEDRAL.0>
0.657558

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0986555

>  <SCORE.INTRA.VDW.0>
-0.0614891

>  <SCORE.INTRA.norm>
-0.0238367

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.426163

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000411

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  186.5354  217.7315  265.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9479  217.4934  265.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9191  217.1500  267.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3061  216.8794  268.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1750  218.1736  268.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5695  218.0151  268.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3487  219.3256  268.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1499  216.2566  269.4462 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3586  217.0726  270.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7030  216.9179  271.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6698  214.8597  269.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6975  213.8427  268.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
179.92704243,65.72125164,-179.24846326,-58.34004200,-179.96151191,-150.75710841
72.28882229,189.20064054,216.97664447,268.53235870,2.30753932,-0.62724189
-0.95075530

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447344/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.83432

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03333

>  <SCORE.INTRA>
-3.56568

>  <SCORE.INTRA.DIHEDRAL>
1.22383

>  <SCORE.INTRA.DIHEDRAL.0>
0.586198

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.17759

>  <SCORE.INTRA.VDW.0>
4.94287

>  <SCORE.INTRA.norm>
-0.29714

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.736193

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002297

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  200.3965  207.4087  243.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2459  208.4307  244.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6636  207.9603  244.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8012  206.7452  245.5976 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0506  205.9276  245.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8545  204.4398  245.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5940  203.6602  246.3007 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0376  202.3729  246.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9018  202.2182  245.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5755  203.6351  244.7112 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.5809  201.3026  247.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1168  200.1688  247.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6567  201.6949  247.9788 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1879  200.6713  248.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3728  207.0533  247.2495 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4590  207.7787  247.8803 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0346  207.5903  247.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3291  205.4397  248.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3778  205.0032  248.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3588  203.7066  249.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2849  202.8520  249.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2324  203.3054  248.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2504  204.5962  247.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2436  201.4613  249.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-60.30750928,152.95488690,-144.33676867,-76.24679639,-129.94436484,-176.79842028
179.19503207,102.78713606,202.97968432,204.51288287,246.85897572,-2.66817182
-1.17066555,1.70593934

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447345/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3364

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-3.0636

>  <SCORE.INTRA.DIHEDRAL>
0.662163

>  <SCORE.INTRA.DIHEDRAL.0>
3.73911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.39468

>  <SCORE.INTRA.VDW.0>
-2.43865

>  <SCORE.INTRA.norm>
-0.12765

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.430683

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  212.7177  183.2189  244.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1532  183.4032  243.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1925  183.5760  244.8841 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.3352  182.3436  245.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0140  182.4162  247.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2335  181.3205  247.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7687  180.1371  247.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0753  180.0444  246.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8604  181.1292  245.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5478  184.0313  244.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9792  185.1384  244.6367 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1144  183.1871  243.3883 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3427  183.4156  242.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0795  184.4715  243.1427 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2186  184.6968  242.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6554  183.8847  241.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8499  182.8024  241.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7073  182.5359  241.8328 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2195  181.8544  240.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2457  182.4551  239.0552 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.4178  183.0816  239.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9177  184.1520  240.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5477  185.1777  240.9854 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7373  181.4282  238.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4200  180.2754  238.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8885  179.3451  237.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6866  179.5473  236.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0017  180.6929  235.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5317  181.6245  236.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1885  178.5593  235.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6165  182.3924  243.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
64.55991581,-117.24751065,115.83559214,3.24259117,-61.59407025,218.89964275
182.36317547,241.88176488,2.66899722,0.76206994,0.45413739

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447346/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.01052

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-1.38948

>  <SCORE.INTRA.DIHEDRAL>
-1.26533

>  <SCORE.INTRA.DIHEDRAL.0>
3.64538

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.756813

>  <SCORE.INTRA.VDW.0>
-1.17192

>  <SCORE.INTRA.norm>
-0.046316

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.300351

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000101

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  199.7630  193.7547  243.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8804  194.1127  244.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6527  194.2822  245.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9113  194.5753  247.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3144  195.8336  247.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7368  196.1809  248.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7010  195.2522  249.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1870  193.9618  249.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7890  193.5923  248.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3491  192.1677  247.9447 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.8650  192.1233  247.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2964  191.5404  246.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3742  190.9713  245.5497 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0508  190.9296  245.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0531  190.4776  245.0588 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9151  190.7557  245.7876 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2127  191.3398  246.9448 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5528  191.4571  246.9342 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7220  191.3871  245.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7338  192.6843  248.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9447  192.7722  248.5266 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0429  193.0539  249.7609 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7963  193.7249  250.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2081  195.1189  250.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8780  195.9333  251.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9924  196.0273  252.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5758  194.6448  253.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9119  193.8308  252.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7368  190.5303  244.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  6  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-178.38449065,-72.67918976,54.09962205,-177.59266897,-174.26078898,69.22029856
200.02088935,193.29733734,248.03320632,2.00501129,0.43287752,-2.22892160

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447348/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95381

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.44619

>  <SCORE.INTRA.DIHEDRAL>
-2.92803

>  <SCORE.INTRA.DIHEDRAL.0>
8.7578

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.98217

>  <SCORE.INTRA.VDW.0>
-0.204121

>  <SCORE.INTRA.norm>
-0.194507

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.212636

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  203.4353  215.3524  249.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5638  215.8056  250.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2632  215.6396  251.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7127  216.5455  252.6725 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3472  214.3415  252.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7958  214.2084  253.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
106.96184592,179.98046208,203.28818375,215.50855629,251.47945770,2.87356781
-1.43071049,-0.31733791

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447349/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.78236

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-1.61764

>  <SCORE.INTRA.DIHEDRAL>
0.185213

>  <SCORE.INTRA.DIHEDRAL.0>
1.09601

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71025

>  <SCORE.INTRA.VDW.0>
1.62198

>  <SCORE.INTRA.norm>
-0.323529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
0.956471

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043309

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  211.5019  185.2965  254.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2451  183.8112  253.7479 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.4384  184.0885  252.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0192  184.5969  252.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5179  184.0945  254.1690 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6269  183.3691  254.9830 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.4378  182.4898  253.9600 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.7787  181.9237  252.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1262  182.6271  253.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4797  183.0342  254.4924 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0802  183.4101  255.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5953  183.7325  256.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1806  184.0957  258.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6237  184.3952  259.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1938  181.6564  255.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0794  182.8759  256.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7703  184.1607  257.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8364  185.1247  256.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0288  185.9508  257.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1511  186.9567  256.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4326  187.6835  257.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2579  187.0881  254.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6284  185.7555  254.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9569  185.2956  254.9486 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.0583  181.2443  255.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  1  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 15  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  6  0  0  0
M  END
>  <CHROM.1>
140.37058266,165.89607552,-64.41556280,209.99476774,184.31194191,255.26912579
0.21545013,0.42683925,-1.93686084

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447351/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.55989

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-1.84011

>  <SCORE.INTRA.DIHEDRAL>
-2.14711

>  <SCORE.INTRA.DIHEDRAL.0>
2.55403

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.766556

>  <SCORE.INTRA.VDW.0>
1.28565

>  <SCORE.INTRA.norm>
-0.0766712

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.231662

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002862

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  224.5240  187.1137  247.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0449  187.4068  247.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2297  187.0663  246.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6008  186.2098  245.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4966  186.8895  244.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6016  187.9535  244.0463 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.4136  188.9024  242.8363 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.0676  190.0766  243.3343 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0211  190.0938  244.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3540  191.0031  245.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5289  188.8958  245.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7145  191.0917  242.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7664  191.9450  241.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7620  192.6857  242.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8534  193.4394  241.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9488  193.4615  240.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9415  192.7364  239.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8430  191.9724  240.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9039  188.3761  241.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0435  189.2496  242.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0052  187.3134  244.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4919  188.0864  249.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7379  189.6048  243.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  6  0  0  0
  7  8  1  0  0  0  0
  7 19  1  6  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
-118.90093536,70.69765217,-167.51340104,54.00366335,70.63815474,58.02522123
223.33479517,189.57841112,243.85196636,1.28461603,-1.45389422,1.99153603

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447352/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72554

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-1.67446

>  <SCORE.INTRA.DIHEDRAL>
-1.06478

>  <SCORE.INTRA.DIHEDRAL.0>
4.94222

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14207

>  <SCORE.INTRA.VDW.0>
-1.03808

>  <SCORE.INTRA.norm>
-0.076112

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.396615

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.131731

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  216.9015  177.2907  246.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1422  177.3991  247.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3406  176.0912  248.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4169  177.7191  246.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6786  178.0153  247.7897 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.9142  178.2577  246.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4208  179.1993  248.6167 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2297  179.3899  249.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6472  179.0099  249.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
172.81597254,177.27798764,177.48773816,219.41192497,177.72493246,247.66300145
-3.12030286,0.41018333,1.56743498

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447353/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.60453

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-0.795472

>  <SCORE.INTRA.DIHEDRAL>
0.238859

>  <SCORE.INTRA.DIHEDRAL.0>
0.0494548

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.914902

>  <SCORE.INTRA.VDW.0>
0.963489

>  <SCORE.INTRA.norm>
-0.113639

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.08636

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048133

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  181.5234  206.2754  257.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9636  206.2883  258.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4530  207.7150  258.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8084  207.6707  258.9152 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4058  208.8810  259.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9574  210.1163  258.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6554  211.3085  258.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8387  211.2494  259.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2769  209.9957  260.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5657  208.8286  259.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6553  212.4329  260.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6182  213.5273  259.2501 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.4658  214.4169  259.8185 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1261  213.8681  260.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5879  212.6199  261.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8985  211.7703  262.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9954  211.1851  262.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5232  211.3577  262.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9685  212.1129  262.1158 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8822  210.5895  263.8671 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7049  209.8638  264.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2804  208.8735  265.9802 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.3939  210.1152  264.2653 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.4079  210.6606  263.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7539  209.3177  263.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2437  209.3214  263.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8827  209.7525  265.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4437  211.1368  265.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9592  211.1702  265.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6042  215.7304  259.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5061  216.6456  259.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6322  217.9262  259.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8573  218.3032  258.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9516  217.4029  257.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8249  216.1186  258.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0924  212.5954  258.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-179.77823448,179.37815334,-17.35429393,-23.72366560,-178.23686974,-47.99158977
113.84807584,186.21087694,211.37166301,261.36250516,2.58565058,0.94726304
1.74716769

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447362/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.05066

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.344444

>  <SCORE.INTRA>
-4.34934

>  <SCORE.INTRA.DIHEDRAL>
-7.50653

>  <SCORE.INTRA.DIHEDRAL.0>
18.9401

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.59608

>  <SCORE.INTRA.VDW.0>
-1.69761

>  <SCORE.INTRA.norm>
-0.120815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.223629

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  195.0072  221.0559  251.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3724  219.7837  252.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4745  218.9605  251.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1025  219.2323  250.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8277  217.6314  251.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2115  217.3302  252.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7422  215.9088  252.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2218  215.2084  251.8118 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9366  215.4130  253.9364 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2267  216.2231  255.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4420  215.6356  256.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6533  216.4485  257.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6274  217.8368  257.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4104  218.4206  256.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2171  217.6200  254.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0661  218.1682  253.5727 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8282  219.5633  253.3700 Br  0  0  0  0  0  0  0  0  0  0  0  0
  194.0857  216.4419  249.8366 Br  0  0  0  0  0  0  0  0  0  0  0  0
  192.7279  214.4329  254.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
2.98012528,0.47126019,193.33620423,217.76832258,252.70758429,0.18227989,1.35524416
-0.26458234

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447363/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.77828

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-1.62172

>  <SCORE.INTRA.DIHEDRAL>
-2.87343

>  <SCORE.INTRA.DIHEDRAL.0>
2.95038

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.29805

>  <SCORE.INTRA.REPUL.0>
0.29805

>  <SCORE.INTRA.VDW>
1.30524

>  <SCORE.INTRA.VDW.0>
0.65193

>  <SCORE.INTRA.norm>
-0.0900957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.321015

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000221

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  199.4190  211.0601  255.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7377  209.7795  256.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2183  209.9274  256.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5299  208.6432  256.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0088  208.7921  256.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3468  207.4916  256.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8211  207.5843  256.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1529  206.2771  257.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6248  206.3639  257.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9717  205.0783  257.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6585  204.0896  256.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0295  202.9106  257.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7223  202.7244  258.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0402  203.6911  259.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6676  204.8677  259.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0983  201.5928  258.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9403  201.0173  258.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.87266699,179.86190010,179.50852082,-179.57480535,179.77182258,179.92833794
-179.89675299,-89.81091201,0.04088216,192.65340512,206.34815044,257.25045721
-0.67085013,-0.04816139,2.86644643

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447364/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.7812

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8375

>  <SCORE.INTRA>
-0.618756

>  <SCORE.INTRA.DIHEDRAL>
-0.0509586

>  <SCORE.INTRA.DIHEDRAL.0>
0.768014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.593277

>  <SCORE.INTRA.VDW.0>
-0.307657

>  <SCORE.INTRA.norm>
-0.0386722

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.798828

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008403

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  203.3860  205.0252  249.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1788  204.8138  250.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2816  204.0125  251.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5497  204.1092  250.5085 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5202  204.9112  249.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8283  204.2201  249.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0230  204.7004  249.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2614  203.7552  251.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5237  202.6162  252.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6333  204.8114  252.6040 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4787  205.3353  252.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8729  205.3020  253.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
61.94030099,-178.14855852,116.94703123,-117.69136622,-81.65489487,205.89739847
204.29764898,250.81040397,3.01401983,-0.07930264,1.96268137

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447365/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.26925

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-1.13075

>  <SCORE.INTRA.DIHEDRAL>
-0.50765

>  <SCORE.INTRA.DIHEDRAL.0>
1.74731

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.876923

>  <SCORE.INTRA.VDW.0>
0.258653

>  <SCORE.INTRA.norm>
-0.113075

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.926925

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001892

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  192.7119  204.5210  243.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8489  204.8106  244.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3374  205.3818  245.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7239  205.6280  245.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2623  206.1971  246.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4709  206.5406  247.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1020  206.2984  247.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5399  205.7206  246.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8302  205.4428  246.6885 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.2712  207.4224  249.5687 I   0  0  0  0  0  0  0  0  0  0  0  0
  195.6234  206.4153  246.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5688  205.3424  244.5908 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0514  204.8027  243.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9374  206.0979  245.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
0.19757336,193.33758356,206.34517484,247.41794572,-1.95969783,0.15175683
1.16871979

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447366/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39939

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.415385

>  <SCORE.INTRA>
-0.000612627

>  <SCORE.INTRA.DIHEDRAL>
-0.000202211

>  <SCORE.INTRA.DIHEDRAL.0>
0.000297823

>  <SCORE.INTRA.POLAR>
-0.000170189

>  <SCORE.INTRA.POLAR.0>
-0.372874

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
6.71204e-05

>  <SCORE.INTRA.VDW.0>
0.404816

>  <SCORE.INTRA.norm>
-4.71252e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.415337

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000717

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  186.7498  216.0795  259.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9282  215.9398  260.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8888  215.0501  261.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7128  215.4827  262.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7232  214.6542  262.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9256  213.3570  262.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0814  212.9382  261.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0700  213.7720  260.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9562  212.5135  262.7968 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2014  211.2464  262.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7108  210.7122  261.2968 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2422  210.5519  263.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5583  209.2758  262.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5126  208.4797  263.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7930  207.1708  263.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6938  206.4023  263.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3207  206.9299  265.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0451  208.2389  265.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1411  209.0148  264.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0621  204.6287  263.3901 Br  0  0  0  0  0  0  0  0  0  0  0  0
  192.8735  211.5903  264.2816 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.7887  212.9039  263.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8283  213.9601  264.4424 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
136.57889357,-177.72680052,-177.38699403,192.05474034,210.28579747,262.95840774
2.46884066,-0.77092726,0.47196269

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447367/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.12871

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-5.27129

>  <SCORE.INTRA.DIHEDRAL>
-13.2419

>  <SCORE.INTRA.DIHEDRAL.0>
15.6303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.34966

>  <SCORE.INTRA.VDW.0>
1.03507

>  <SCORE.INTRA.norm>
-0.229187

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.136031

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002233

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  212.0592  189.1208  242.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9055  187.8892  243.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5947  187.9015  244.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2646  186.8606  245.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6592  185.5454  244.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2398  184.4757  245.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4281  184.7105  246.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0864  186.0219  246.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5319  187.1353  246.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0705  188.4073  246.6168 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2557  189.1950  245.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1810  188.3489  244.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0849  188.1563  245.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5529  187.8734  243.7345 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6788  187.1597  242.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1460  186.3954  241.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2217  185.7695  240.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8477  185.9139  241.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3909  186.6895  242.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2950  187.2963  243.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7011  186.9434  242.4300 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.4533  186.1835  241.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1548  187.2899  240.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8866  188.9512  246.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5490  187.8716  243.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.96506147,-40.11882561,53.69836228,45.02325135,85.38492729,-163.12439345
-71.44296354,207.82560347,187.05552602,243.75923958,-0.41901991,-0.03436112
-1.62906400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447368/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.02943

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-8.37057

>  <SCORE.INTRA.DIHEDRAL>
-3.88182

>  <SCORE.INTRA.DIHEDRAL.0>
13.1113

>  <SCORE.INTRA.POLAR>
-0.821133

>  <SCORE.INTRA.POLAR.0>
-0.178867

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.6378

>  <SCORE.INTRA.VDW.0>
1.62089

>  <SCORE.INTRA.norm>
-0.363938

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.175193

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  220.7707  191.4328  254.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9455  192.0812  253.2877 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1938  191.2349  252.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3100  191.3021  251.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4620  190.4410  250.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4769  189.4836  250.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3609  189.3915  251.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2528  190.3301  252.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4182  188.3037  251.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0027  186.9117  251.7592 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.3487  186.9496  253.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8947  186.1583  254.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3542  186.1733  255.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2544  186.9722  255.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6868  187.7550  254.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2281  187.7390  253.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2628  186.0107  250.8481 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3088  184.5723  251.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2147  184.0435  252.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8555  184.4484  251.7071 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7713  185.8884  251.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8896  186.4336  250.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2090  184.1976  252.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
122.69353514,-86.22263220,-51.78680635,-125.60752590,156.97823646,221.48585843
187.89889883,252.37490373,-2.56442692,1.49518727,-2.13809911

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447369/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.56765

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-1.83235

>  <SCORE.INTRA.DIHEDRAL>
2.83649

>  <SCORE.INTRA.DIHEDRAL.0>
3.13326

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.25059

>  <SCORE.INTRA.VDW.0>
0.843261

>  <SCORE.INTRA.norm>
-0.0832884

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.389439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000665

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  199.2846  211.5383  254.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1805  211.5593  252.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8986  210.4942  252.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8298  210.6695  250.6804 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0816  211.8631  250.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3600  212.9396  250.7471 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3852  212.8816  252.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5708  213.8972  252.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0923  211.8932  248.7279 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3899  212.9647  248.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6581  214.2007  248.5803 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4392  212.9956  246.7005 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8420  211.9357  245.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1108  210.6583  246.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5008  209.6052  245.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6833  209.8244  244.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4656  211.0927  243.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7542  211.3248  242.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5160  212.5691  241.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9175  213.5744  242.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6409  213.3639  243.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9708  212.1473  244.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6533  209.1051  252.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6788  209.8791  250.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5961  214.1736  249.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5743  214.5506  248.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4589  213.9048  246.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-176.35667078,0.24623363,6.65713914,199.64823631,211.90039573,247.97773433
-2.91267699,1.44294574,-0.20541486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447378/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.96086

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-1.43914

>  <SCORE.INTRA.DIHEDRAL>
-4.31349

>  <SCORE.INTRA.DIHEDRAL.0>
5.18345

>  <SCORE.INTRA.POLAR>
-0.0666477

>  <SCORE.INTRA.POLAR.0>
-0.621773

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.944205

>  <SCORE.INTRA.VDW.0>
-0.729413

>  <SCORE.INTRA.norm>
-0.0625715

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.302646

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000075

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 51  0  0  0  0  0  0  0  0999 V2000
  227.4592  180.6599  253.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2419  182.0799  254.2693 C   0  0  1  0  0  0  0  0  0  0  0  0
  228.0375  183.1086  253.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4362  183.3746  252.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9459  183.7117  252.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1569  182.6564  252.8990 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.7333  182.4463  254.3312 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.5258  183.6678  255.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7255  182.9648  252.9124 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7872  181.9499  252.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1075  180.7697  252.7343 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3530  182.3715  253.1603 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.1671  183.8208  253.6536 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.5774  183.8541  255.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2866  185.1192  255.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5526  185.8662  254.1570 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.8837  185.0513  253.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5270  185.3076  253.0935 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.5526  184.5043  252.3962 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.2059  183.4726  251.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8117  183.7251  250.3031 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4041  182.2603  252.0137 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0333  181.0643  251.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7221  180.4057  251.6941 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.5416  181.2940  251.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5208  182.5205  252.0610 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7458  182.3120  253.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4081  183.3591  254.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6126  183.2113  255.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1387  182.0207  256.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4769  180.9837  255.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3045  181.1342  253.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7218  180.0954  253.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4472  186.0911  252.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4548  187.3193  252.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3714  185.3233  251.9189 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0490  185.7522  251.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1421  184.8029  251.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8595  185.1799  250.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4615  186.5071  250.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3052  187.4308  251.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5923  187.0504  251.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9323  187.0115  250.2142 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.4438  183.9265  253.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5493  184.3499  251.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  1  0  0  0
  7  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  6  0  0  0
 12 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  2  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  6  0  0  0
 19 20  1  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  1  0  0  0
 24 33  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 45  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 43  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <CHROM.1>
144.53428401,-7.58572870,10.95670130,97.79291646,69.45360498,176.35098320
219.86879959,183.66937209,252.76927705,0.31940286,0.12467481,2.92637154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447379/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.58351

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.265116

>  <SCORE.INTRA>
-12.9835

>  <SCORE.INTRA.DIHEDRAL>
-1.69687

>  <SCORE.INTRA.DIHEDRAL.0>
7.55983

>  <SCORE.INTRA.POLAR>
-1.83227

>  <SCORE.INTRA.POLAR.0>
-0.00106578

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.90537

>  <SCORE.INTRA.VDW.0>
-4.1806

>  <SCORE.INTRA.norm>
-0.301942

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
-0.0368259

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  199.2457  215.6604  254.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8899  216.8698  254.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8274  217.9013  254.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1090  217.7557  254.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4713  216.5219  255.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5400  215.4778  255.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1311  218.8643  254.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3853  218.5311  254.3910 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3239  219.5017  254.0987 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9801  220.7776  253.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7783  221.5918  253.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5680  221.1682  253.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1209  222.4456  253.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8317  222.8556  253.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0235  222.0229  254.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4640  220.7418  254.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6996  220.2810  254.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7087  219.0336  253.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9105  218.1013  252.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9654  216.9160  252.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2435  215.8001  253.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3354  214.7393  253.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1726  214.8222  252.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9637  215.9694  252.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8243  217.0118  252.0246 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-146.63518510,65.32850302,-54.27940173,-80.76881009,202.58913677,218.46727811
253.82611763,1.35716305,-0.26511467,-3.10398626

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447380/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.07195

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-2.32805

>  <SCORE.INTRA.DIHEDRAL>
1.01472

>  <SCORE.INTRA.DIHEDRAL.0>
3.94613

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.83541

>  <SCORE.INTRA.VDW.0>
-0.828992

>  <SCORE.INTRA.norm>
-0.0931219

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.282878

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004769

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  207.3181  183.3135  243.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2545  183.7069  242.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6282  182.5422  241.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5496  185.0868  242.2539 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4491  186.2240  242.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3942  185.3058  240.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2654  185.4875  239.5166 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2140  185.1299  242.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0764  184.7595  242.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8546  183.5951  241.8890 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1244  185.8945  241.8260 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4939  186.4155  243.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7997  187.0050  241.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7979  187.8019  241.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4493  188.8210  240.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1276  189.0094  239.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1307  188.2400  238.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4584  187.2621  239.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4562  189.7292  241.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3007  191.0423  241.2351 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.4088  189.6788  242.9274 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.7376  189.4142  241.2256 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.1599  185.1062  243.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  3  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
69.20656633,-92.25320874,69.82920138,-68.92187215,-65.63981908,-135.87845768
205.54373896,186.71263091,241.61511849,-1.60087380,-0.35798698,-0.23959867

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447381/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.00757

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-4.39243

>  <SCORE.INTRA.DIHEDRAL>
-0.753155

>  <SCORE.INTRA.DIHEDRAL.0>
4.50992

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.01585

>  <SCORE.INTRA.VDW.0>
1.96639

>  <SCORE.INTRA.norm>
-0.199656

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.318526

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002459

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  190.3647  216.3723  249.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8396  216.2937  249.4826 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.0753  217.7022  250.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2205  215.9436  247.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0474  216.6648  248.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1267  215.8939  248.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-175.41092239,192.07015785,216.48311068,249.23714783,2.86814479,0.04259001
0.96850714

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447382/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.35153

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-0.0484662

>  <SCORE.INTRA.DIHEDRAL>
-2.22045e-16

>  <SCORE.INTRA.DIHEDRAL.0>
1.2

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0484662

>  <SCORE.INTRA.VDW.0>
1.72927

>  <SCORE.INTRA.norm>
-0.0080777

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.05859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  208.2804  201.3495  248.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0146  200.0612  248.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4686  198.9370  249.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3962  197.9180  248.7456 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8315  197.0034  247.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8797  195.9381  247.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0009  196.4822  246.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8138  197.3610  247.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1555  197.2898  248.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9862  198.2539  249.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4949  199.2887  248.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1370  199.3867  247.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3134  198.4102  246.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2676  200.2038  249.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6030  201.3960  248.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9229  201.7259  248.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2138  202.9435  247.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1950  203.8572  247.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8895  203.5586  247.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5758  202.3328  248.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1522  202.1033  248.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9795  201.2673  249.9605 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.5411  203.2713  249.2588 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.3805  201.5873  247.9004 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
-120.56529367,177.43367429,-67.21761852,67.38104774,36.24357329,-167.22061655
-114.14901475,27.08859692,212.03810104,200.11104318,248.33251064,2.31617221
-0.15450509,-2.94446924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447383/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3989

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-3.00113

>  <SCORE.INTRA.DIHEDRAL>
-0.40974

>  <SCORE.INTRA.DIHEDRAL.0>
8.09604

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.79626

>  <SCORE.INTRA.VDW.0>
-0.27914

>  <SCORE.INTRA.norm>
-0.125047

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.433286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000292

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 38  0  0  0  0  0  0  0  0999 V2000
  215.8104  181.3129  243.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8637  181.3753  245.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8487  182.3079  245.8877 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2396  181.8721  247.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2290  180.7392  247.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2919  183.9566  245.8209 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.3522  184.1881  246.7987 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4985  184.2938  244.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8876  184.8900  246.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6269  184.6244  245.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5397  185.4091  246.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7015  186.4564  247.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9575  186.7426  247.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0587  185.9556  247.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2052  187.8640  248.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2157  188.5126  249.1933 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4816  188.1725  249.4075 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6698  189.1807  250.5952 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.8637  188.3416  251.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6065  187.5494  252.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0750  187.4120  251.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8295  190.3210  250.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5675  190.5443  251.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9356  191.2199  249.3825 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2858  190.9519  248.0207 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.7982  191.2101  248.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7981  190.9368  247.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1619  190.0376  246.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4505  189.3024  246.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6114  188.3098  245.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7434  187.5404  245.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6953  187.7493  246.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5581  188.7610  247.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4341  189.6054  247.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2853  187.6051  249.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9423  191.2838  249.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  1  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 36  1  0  0  0  0
 25 24  1  1  0  0  0
 25 34  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
144.05256205,-74.48708727,-71.64702744,-50.27219043,1.42694677,101.21205323
-66.06094284,-134.98810686,-18.91068754,73.81250539,214.58152342,186.82127840
247.58056298,-2.12076189,1.55786481,1.04671918

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447384/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12117

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-8.27883

>  <SCORE.INTRA.DIHEDRAL>
1.57919

>  <SCORE.INTRA.DIHEDRAL.0>
4.61889

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.06842

>  <SCORE.INTRA.VDW.0>
-0.340567

>  <SCORE.INTRA.norm>
-0.243495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.209446

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000971

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  198.7621  224.9094  265.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3880  224.4558  263.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3089  224.5318  262.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9498  224.1125  261.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6305  223.6128  261.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7200  223.5126  262.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0976  223.9371  263.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8966  223.9135  260.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7056  222.6879  260.2271 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1677  222.0453  261.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6174  222.6627  262.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6298  220.5908  261.5595 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5826  219.8401  260.3125 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1898  220.4493  259.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6509  219.7692  258.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7697  221.8999  258.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2783  221.6958  258.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6009  221.3356  257.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9832  222.2548  256.2003 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5296  222.2039  256.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0097  222.5705  257.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6401  223.5841  256.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2419  224.5159  257.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8048  224.6289  258.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3752  225.6702  259.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4082  226.5647  258.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7484  226.3493  257.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1602  225.3540  256.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0424  227.7227  259.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5554  227.9367  260.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2041  226.7263  261.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9339  225.8235  260.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2370  220.7457  262.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4051  219.4937  262.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0377  218.5815  263.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0392  219.9699  263.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3189  218.8621  260.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  6  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 32  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
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M  END
>  <CHROM.1>
82.16153654,-33.66990004,-179.06229760,-79.73626791,84.78579056,63.66790872
200.40780297,223.20962159,260.27328854,2.99907585,-1.04215216,-2.74490536

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447385/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.54753

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.316667

>  <SCORE.INTRA>
-3.85247

>  <SCORE.INTRA.DIHEDRAL>
-1.50775

>  <SCORE.INTRA.DIHEDRAL.0>
5.18848

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.0986

>  <SCORE.INTRA.VDW.0>
-2.92336

>  <SCORE.INTRA.norm>
-0.107013

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.209654

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 35  0  0  0  0  0  0  0  0999 V2000
  216.2984  184.6894  241.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6353  184.2071  242.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2619  183.5751  243.8006 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2943  184.5113  243.0514 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3423  184.0007  244.0692 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.9194  182.5305  243.7899 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.0862  181.5897  244.1623 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3710  181.7777  245.6723 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6480  183.1326  246.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7753  184.1352  245.5564 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6239  184.1303  246.3852 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2950  181.1397  246.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9895  181.5953  246.2235 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8498  180.2237  243.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0066  179.3872  243.9550 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.7009  177.9254  243.5476 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.9081  177.7130  242.0460 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.3058  178.2103  241.6668 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4041  179.7081  241.9988 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2029  179.9290  243.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7896  180.2754  241.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8212  179.5911  242.3592 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2525  177.4245  242.4188 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8084  176.3203  241.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3834  177.5506  243.9715 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4974  182.3978  242.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8968  185.0943  242.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1321  184.9231  246.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.9508  182.5516  246.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6637  179.9980  242.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1357  177.8382  242.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8971  176.0580  241.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7790  178.2405  243.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.7310  182.9774  242.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 27  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  6  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 29  1  0  0  0  0
 15 14  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  6  0  0  0
 17 18  1  0  0  0  0
 17 24  1  1  0  0  0
 18 19  1  0  0  0  0
 18 23  1  1  0  0  0
 19 20  1  0  0  0  0
 19 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
M  END
>  <CHROM.1>
-76.10395588,-61.39818771,172.72565175,-53.09723348,-62.06301599,-64.73588557
178.37522197,51.84218377,61.80090624,-170.62947432,-59.49011998,179.58064649
214.81640388,181.03450838,243.65495700,-2.05834266,-0.64051509,-3.02592082

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447394/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.65643

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-7.74357

>  <SCORE.INTRA.DIHEDRAL>
-9.31879

>  <SCORE.INTRA.DIHEDRAL.0>
12.6358

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
-1.0885

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.585389

>  <SCORE.INTRA.VDW.0>
-2.3515

>  <SCORE.INTRA.norm>
-0.29783

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.10217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000442

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 26  0  0  0  0  0  0  0  0999 V2000
  192.5785  204.3335  243.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3772  205.6210  243.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4476  205.5037  244.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2477  206.7973  244.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2854  206.6814  245.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0021  207.9837  245.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1697  208.5661  247.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8979  209.8612  247.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
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  196.7472  212.0139  247.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
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  192.2082  213.6343  248.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
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  191.7587  211.6944  246.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0113  210.3728  246.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5560  209.6088  245.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0511  209.3188  245.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3626  208.6213  246.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0819  207.4465  246.7757 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0001  209.4182  247.4693 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3312  208.9107  248.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0796  209.9490  249.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4677  209.4225  251.1558 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2294  210.3797  247.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4271  209.2683  251.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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M  END
>  <CHROM.1>
-179.51729386,178.19190577,-175.86427505,130.63184093,134.55836550,-124.02894342
-123.30848706,119.97119931,120.44099670,-70.95705931,165.75407212,-179.22821564
58.40441509,53.44606187,73.47097975,-139.32444337,-177.74885252,63.36521535
194.21628209,209.49204382,246.92901964,1.58803494,0.31803392,-2.54974402

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447395/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.896

>  <SCORE.INTRA>
-2.94115

>  <SCORE.INTRA.DIHEDRAL>
3.45081

>  <SCORE.INTRA.DIHEDRAL.0>
2.61016

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.66655

>  <SCORE.INTRA.VDW.0>
-1.84017

>  <SCORE.INTRA.norm>
-0.117646

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.778354

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014901

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  211.6884  190.6532  237.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7950  191.2581  238.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2374  192.3610  239.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4984  190.1928  239.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7814  189.8444  239.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0358  188.6524  240.2297 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7672  188.7286  241.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7499  189.4256  240.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2190  187.3733  241.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0180  189.5871  242.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2379  187.3748  239.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5759  187.0751  238.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2703  186.4050  239.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
117.06393463,-36.69505503,213.79753882,189.15512169,239.87690616,-2.87731301
-0.96806337,1.63468179

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447396/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35445

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.0455477

>  <SCORE.INTRA.DIHEDRAL>
0.378469

>  <SCORE.INTRA.DIHEDRAL.0>
0.977441

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.234782

>  <SCORE.INTRA.VDW.0>
-0.499475

>  <SCORE.INTRA.norm>
-0.00350367

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.565727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024892

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  195.0785  211.9803  248.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3799  211.7214  247.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0812  210.4762  246.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2739  210.2179  245.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7606  211.2822  244.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1426  212.4932  245.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9467  212.7170  246.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8468  211.3274  242.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9470  208.9063  244.7731 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8850  208.0608  245.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8696  206.9868  244.3934 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9040  207.0483  243.5253 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5783  208.1443  243.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1499  208.3921  243.0884 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.1855  208.7964  244.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6036  208.3941  245.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6523  209.1632  246.8401 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0237  207.1325  245.8889 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2845  206.5647  246.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7501  207.4229  247.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9261  206.9288  248.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6662  205.5616  249.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2585  204.6926  248.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0682  205.1912  247.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4328  207.8752  249.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0896  207.4462  251.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8241  208.3203  246.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3278  207.1175  247.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6890  207.2421  248.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2902  206.0271  248.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7098  206.1161  250.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6137  204.8358  248.3466 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2443  204.6961  247.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5138  203.6004  246.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5656  205.8589  246.5084 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3357  206.4873  245.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3799  203.9879  248.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1083  205.7400  245.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 35  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <CHROM.1>
36.08876861,-145.84306335,42.41798621,18.45393676,-136.22443197,19.45607495
-154.36131865,160.93488300,194.77340768,207.94718515,246.55305691,0.24322350
0.98282172,0.58950247

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447397/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.44883

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.382857

>  <SCORE.INTRA>
-8.95117

>  <SCORE.INTRA.DIHEDRAL>
3.92684

>  <SCORE.INTRA.DIHEDRAL.0>
9.65446

>  <SCORE.INTRA.POLAR>
0.127991

>  <SCORE.INTRA.POLAR.0>
-0.788746

>  <SCORE.INTRA.REPUL>
-0.771736

>  <SCORE.INTRA.REPUL.0>
0.771736

>  <SCORE.INTRA.VDW>
-7.49108

>  <SCORE.INTRA.VDW.0>
-1.22523

>  <SCORE.INTRA.norm>
-0.255748

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.127109

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  198.4725  205.8896  245.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2012  205.9101  245.7333 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0201  205.5631  245.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6029  204.2264  245.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3885  203.8179  244.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5480  204.7439  243.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9464  206.0838  243.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1585  206.4871  244.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2210  204.3157  243.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3258  203.7602  241.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4018  202.3822  241.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4928  201.8741  240.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4733  202.7183  239.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4284  204.0962  239.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3425  204.6135  240.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6440  202.1632  238.0394 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4803  201.7406  237.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2334  205.5453  246.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3643  201.4476  238.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
91.69014867,-84.53889257,96.37117845,91.16235137,193.87230226,204.12769824
242.34792248,-1.01870372,-0.09152589,-1.98427984

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447398/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.95792

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-2.44208

>  <SCORE.INTRA.DIHEDRAL>
-0.333131

>  <SCORE.INTRA.DIHEDRAL.0>
2.55721

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27552

>  <SCORE.INTRA.VDW.0>
1.00883

>  <SCORE.INTRA.norm>
-0.143652

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.409289

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000809

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  214.9854  201.5009  242.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7049  201.3158  242.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2121  201.1000  242.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9871  200.2837  243.8089 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5868  200.0799  243.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3543  199.2047  245.2259 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.8510  199.8772  246.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1364  199.2880  246.6558 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2337  198.1338  245.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1421  197.3315  246.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1380  198.0012  245.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7873  199.4682  247.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-10.63020607,179.80094764,-179.85527525,62.85810663,212.09499925,199.59238001
244.66294717,-1.15586326,-0.18058680,2.32454372

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447399/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.0841

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-0.315896

>  <SCORE.INTRA.DIHEDRAL>
-0.0723378

>  <SCORE.INTRA.DIHEDRAL.0>
0.148093

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.279727

>  <SCORE.INTRA.VDW.0>
-0.563763

>  <SCORE.INTRA.norm>
-0.0287178

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.825828

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048776

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  184.4858  216.0123  259.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6604  217.5194  259.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6776  218.1593  257.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8547  219.6759  258.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8694  220.2779  256.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0464  221.7972  256.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0609  222.4429  255.2501 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.3295  223.9378  255.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3344  224.6822  254.9595 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.3676  223.8266  254.5242 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.7000  222.4857  254.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0362  221.5510  254.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6076  224.4895  255.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7624  225.8772  255.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9866  226.4170  256.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0531  225.5727  256.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8966  224.1885  256.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6736  223.6422  256.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5189  224.1748  254.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-179.90599681,179.89632373,-179.94038344,-179.76430135,-176.33843851,-179.15973468
185.50024832,222.24948377,256.34489995,-1.93758945,-0.52722582,-0.52557598

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447400/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0247

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-1.37529

>  <SCORE.INTRA.DIHEDRAL>
-3.08657

>  <SCORE.INTRA.DIHEDRAL.0>
3.34902

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.167994

>  <SCORE.INTRA.VDW.0>
-1.35605

>  <SCORE.INTRA.norm>
-0.0764049

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.556928

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001442

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  205.5094  193.3721  243.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5078  192.4299  244.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9137  191.2399  244.9776 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6747  190.9959  243.6995 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.0523  190.3801  243.6287 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.4577  190.0411  242.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6491  189.0982  242.3503 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.0619  188.1510  243.4150 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.5105  189.1409  244.4856 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.7415  188.5124  245.6965 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3861  189.1215  246.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4068  190.6410  246.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5609  186.9861  245.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5813  188.6688  246.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0567  187.2871  243.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1540  188.4112  241.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7773  189.7899  242.9185 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6945  193.1739  244.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7602  189.6125  247.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7781  187.8599  244.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0639  190.4874  242.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  1  0  0  0
  3  4  1  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  6  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <CHROM.1>
-62.53784529,54.71921603,58.77166489,208.05501687,189.82555911,244.22716082
-2.78364607,-0.82172703,2.42195416

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447401/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.52463

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-3.87537

>  <SCORE.INTRA.DIHEDRAL>
-7.61974

>  <SCORE.INTRA.DIHEDRAL.0>
8.12162

>  <SCORE.INTRA.POLAR>
0.0805418

>  <SCORE.INTRA.POLAR.0>
-0.145437

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.339341

>  <SCORE.INTRA.VDW.0>
0.694844

>  <SCORE.INTRA.norm>
-0.215298

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.0847018

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000387

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  190.5753  198.2931  263.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8450  199.4425  262.4327 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.5669  199.0562  261.1315 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.2427  200.2774  260.2862 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.7595  200.4739  260.6443 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.6116  200.1004  262.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4101  201.8262  260.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7414  202.1418  260.7407 P   0  0  0  0  0  0  0  0  0  0  0  0
  188.0235  202.3189  262.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8824  203.6362  260.1123 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0728  202.4574  261.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0334  201.3955  260.7145 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9943  197.9060  260.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3397  198.8136  264.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9695  199.5920  264.9935 P   0  0  0  0  0  0  0  0  0  0  0  0
  187.7582  199.0327  264.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9058  199.6420  266.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2494  201.1219  264.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7324  203.5690  259.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.0735  203.2042  261.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.7854  202.1331  260.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4943  197.7026  259.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.8204  198.7548  266.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1015  201.2996  263.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  6  0  0  0
  4  5  1  0  0  0  0
  4 12  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <CHROM.1>
160.26379950,71.35152568,-179.46262292,178.99928020,178.32766299,83.34989100
86.70895648,82.15654776,38.28210170,-64.96837448,86.55456775,189.32314628
200.51184973,262.36319377,-1.30382326,0.65221076,-1.11246021

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447410/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.36833

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-10.7683

>  <SCORE.INTRA.DIHEDRAL>
-10.6078

>  <SCORE.INTRA.DIHEDRAL.0>
16.2175

>  <SCORE.INTRA.POLAR>
-1.23912

>  <SCORE.INTRA.POLAR.0>
-0.302379

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.25146

>  <SCORE.INTRA.VDW.0>
-2.07675

>  <SCORE.INTRA.norm>
-0.598241

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
-0.0204628

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009180

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  192.1834  221.6302  251.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6851  221.7870  251.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4759  221.4926  252.8839 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7336  220.1185  253.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1100  219.4837  254.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4139  218.1354  254.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2574  217.4246  253.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8305  218.0168  252.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6054  219.3640  252.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7191  220.1424  250.7710 I   0  0  0  0  0  0  0  0  0  0  0  0
  195.7421  215.3792  254.0827 I   0  0  0  0  0  0  0  0  0  0  0  0
  194.1697  217.4137  255.7893 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7190  217.8668  257.0610 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6194  218.9938  257.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2306  219.8821  258.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1216  220.8530  259.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4300  220.9315  258.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8654  220.0227  257.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9644  219.0664  257.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2770  220.0244  257.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1893  217.8355  257.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6353  218.1986  258.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4459  217.4133  256.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6316  220.6413  255.3911 I   0  0  0  0  0  0  0  0  0  0  0  0
  194.8419  222.5574  253.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4650  223.7128  253.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7745  222.2973  254.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4850  217.4269  256.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
79.82943334,-109.63519333,-10.88528200,-53.56227583,161.38534136,-179.68735982
-179.29231310,194.79567667,219.21536381,254.33325042,0.59480112,1.03673890
-0.52606820

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447411/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.68233

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.71767

>  <SCORE.INTRA.DIHEDRAL>
-5.68574

>  <SCORE.INTRA.DIHEDRAL.0>
21.7252

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.8748

>  <SCORE.INTRA.VDW.0>
-7.0343

>  <SCORE.INTRA.norm>
-0.137691

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.284531

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000122

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  199.8486  214.2692  252.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8977  214.1581  253.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5185  214.7492  253.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6205  214.6090  254.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3175  215.1506  254.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4579  215.0665  255.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4488  214.0246  256.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5498  214.0311  257.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6365  215.0776  257.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6135  216.1142  256.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5346  216.1123  255.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6947  215.0342  258.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8336  215.9917  258.7387 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1033  215.9453  259.8951 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8264  216.4610  259.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1723  216.4628  261.1091 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.9219  217.0481  261.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3575  217.5191  259.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0603  217.4484  258.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5289  217.8396  257.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3030  217.7644  256.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8279  218.2096  255.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5204  218.7971  254.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6973  218.8703  255.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0996  218.3524  257.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2496  218.3570  258.1722 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3426  216.9472  258.7974 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1814  217.2128  262.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7666  216.8198  263.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0724  216.9731  264.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7897  217.5202  264.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2051  217.9258  263.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8996  217.7760  262.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5972  216.0651  260.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.9965  216.8937  258.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 27  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 35  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-179.76936295,179.94752595,-179.50230681,-33.48040121,-179.97119555,-151.06451682
-176.76196374,1.94703005,189.84662906,216.47621328,258.07469208,-0.47353042
-0.36378477,1.75765252

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447412/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3021

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-3.09785

>  <SCORE.INTRA.DIHEDRAL>
-5.89723

>  <SCORE.INTRA.DIHEDRAL.0>
8.05321

>  <SCORE.INTRA.POLAR>
-0.105827

>  <SCORE.INTRA.POLAR.0>
-0.0734325

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.210577

>  <SCORE.INTRA.VDW.0>
0.419073

>  <SCORE.INTRA.norm>
-0.0938743

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.312186

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000326

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  209.0175  222.9239  240.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3617  223.4329  241.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1042  222.6332  241.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4458  223.1390  243.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1883  222.3355  243.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5251  222.8487  244.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2740  222.0432  245.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6145  222.5567  246.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3633  221.7509  246.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7001  222.2650  247.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4510  221.4634  248.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7874  221.9783  249.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5331  221.1760  249.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8599  221.7054  250.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6064  220.9039  251.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9326  221.4291  252.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6753  220.6253  252.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0015  221.1497  254.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7412  220.3533  254.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0736  220.8765  255.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.89087543,179.83008898,-179.50258951,-179.72479482,179.83338565,179.97787088
-179.82185378,179.94432532,-179.94439039,179.82809272,-179.22858969,-179.97058369
179.92881303,179.96378584,179.89143226,179.95547153,179.83772804,200.06270843
221.87963418,247.96030932,0.41885666,-0.56809429,-2.27664142

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447413/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
22.4022

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.12

>  <SCORE.INTRA>
0.00217158

>  <SCORE.INTRA.DIHEDRAL>
0.00435716

>  <SCORE.INTRA.DIHEDRAL.0>
0.00026521

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.00376e-06

>  <SCORE.INTRA.VDW.0>
-2.43858

>  <SCORE.INTRA.norm>
0.000108579

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
1.12011

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018506

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  209.2459  199.3742  249.4160 N   0  5  0  0  0  0  0  0  0  0  0  0
  209.2220  198.8550  250.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.7485  200.6623  249.4021 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1713  201.1779  250.4549 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5126  202.5032  250.4612 N   0  5  0  0  0  0  0  0  0  0  0  0
  210.4143  203.0582  249.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  2   1  -1   5  -1
M  END
>  <CHROM.1>
0.08883891,0.05359300,209.91602003,200.93032724,249.93372103,-2.85356560
-1.18563720,-0.92272398

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447414/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.01821

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.85

>  <SCORE.INTRA>
-0.381786

>  <SCORE.INTRA.DIHEDRAL>
-0.702822

>  <SCORE.INTRA.DIHEDRAL.0>
0.702832

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.030375

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.0954465

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.75455

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012489

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  199.2746  217.6550  263.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2032  216.8270  263.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9737  216.5601  261.5551 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.3082  217.5461  261.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9096  218.0753  262.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6934  217.7163  259.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0110  217.1133  258.8554 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3627  217.3711  257.5693 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8113  218.5555  256.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6879  219.5976  256.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2223  220.7948  256.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8527  221.0002  255.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9653  219.9965  256.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4284  218.8021  256.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1834  217.7247  257.3942 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.3158  222.2702  255.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2854  223.1697  254.9352 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.6229  222.0389  254.1077 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.4591  222.9213  256.0883 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.4022  219.4236  256.8151 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.3156  216.5867  256.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
0.12099817,-83.31460919,115.87737503,-0.69853311,198.40511731,219.17230569
257.98255589,-1.42877909,-0.02779797,-0.93273142

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447415/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.15119

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-1.24881

>  <SCORE.INTRA.DIHEDRAL>
0.288791

>  <SCORE.INTRA.DIHEDRAL.0>
1.30498

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.39321

>  <SCORE.INTRA.VDW.0>
-0.782368

>  <SCORE.INTRA.norm>
-0.0624405

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.407559

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  182.6037  216.9282  252.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8452  216.9584  251.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4417  217.4509  250.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9682  217.8454  252.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7052  217.3016  253.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7981  218.1900  254.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1051  218.8037  253.3814 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.5851  219.8373  254.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2960  217.5914  253.0219 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.0617  217.9779  251.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1149  216.6270  251.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7437  215.4973  252.1729 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2378  216.1298  253.5487 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.8364  215.8244  254.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8121  214.7320  255.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8398  214.7479  253.8529 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.5119  214.6080  252.4497 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.5391  214.5893  251.2430 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.5506  213.4858  251.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8376  213.6052  252.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4886  213.7255  252.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7042  213.8949  253.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5074  214.1270  253.9088 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4069  213.7698  255.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7898  214.3670  255.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6689  213.7445  254.0922 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.1692  212.3622  254.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8514  215.8339  251.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3943  214.9241  253.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4866  216.5477  250.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  6  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
72.14221049,-176.13751083,-56.99076874,167.34851560,150.46240668,60.36341145
186.91765316,215.73389903,253.10225364,2.90767056,0.09859763,2.79490378

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447417/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.28356

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-7.11644

>  <SCORE.INTRA.DIHEDRAL>
-0.108587

>  <SCORE.INTRA.DIHEDRAL.0>
4.94731

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.06215

>  <SCORE.INTRA.VDW.0>
1.53373

>  <SCORE.INTRA.norm>
-0.245395

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.113226

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003928

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  212.8770  201.7533  242.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3082  202.2776  243.7248 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.8601  201.8161  244.0297 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2713  202.4696  245.2879 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9034  201.8799  245.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8012  200.8623  246.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6773  202.6119  245.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2196  202.0460  243.8775 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1498  202.2785  246.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0214  202.0491  242.8859 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1754  201.8197  244.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4465  202.5752  243.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7397  202.7338  247.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.1228  201.7286  243.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7644  202.0670  245.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  1  1  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-174.36857464,-173.85136144,-174.22885597,178.08033465,86.79410413,178.45020185
95.88592465,-179.24582078,210.28767832,201.98031119,244.58505016,0.26288352
0.01816224,-1.51898236

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447418/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.26497

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-11.665

>  <SCORE.INTRA.DIHEDRAL>
-8.07689

>  <SCORE.INTRA.DIHEDRAL.0>
11.9219

>  <SCORE.INTRA.POLAR>
-1.82921

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.40721

>  <SCORE.INTRA.VDW.0>
0.556465

>  <SCORE.INTRA.norm>
-1.06045

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
-0.205906

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008303

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  201.5738  191.5526  242.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9940  191.1923  242.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9061  192.3570  242.0272 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7412  192.6628  243.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1727  192.1458  243.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9847  193.1605  240.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0499  192.9512  239.4607 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.0157  194.6021  240.9234 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.2548  195.6113  242.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6998  195.4488  242.7747 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.0743  196.6932  242.5212 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6170  198.0756  242.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9122  198.7091  243.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4212  196.4636  243.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4330  196.0146  244.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
94.54921598,95.90209796,-63.20604418,-16.11865869,92.76851406,-76.29882217
204.17915105,194.47684912,242.11108259,2.00058211,0.73574310,-3.09435699

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447419/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45271

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-4.94729

>  <SCORE.INTRA.DIHEDRAL>
-0.76226

>  <SCORE.INTRA.DIHEDRAL.0>
13.6855

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.56616

>  <SCORE.INTRA.VDW.0>
1.32319

>  <SCORE.INTRA.norm>
-0.32982

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.43018

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001064

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  211.6167  191.7859  254.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1365  190.3704  253.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6089  189.3872  254.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1137  190.1876  252.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7172  190.7385  253.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7599  190.5171  251.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3899  191.0888  252.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3808  190.9039  251.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0351  191.4933  251.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9892  191.3291  250.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6451  191.9195  250.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7012  191.7448  249.8081 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3773  192.2507  250.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3843  193.7718  250.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5803  191.9302  248.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7099  191.5430  251.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
-72.33663419,179.65480000,179.99469201,179.91610967,179.96336146,-179.90046589
179.99734366,179.93412381,-179.83575455,62.60786099,204.79096509,191.33076349
251.63547220,-0.01953220,-0.34582902,0.38560216

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447420/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.5675

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.9625

>  <SCORE.INTRA>
-0.832494

>  <SCORE.INTRA.DIHEDRAL>
0.186924

>  <SCORE.INTRA.DIHEDRAL.0>
0.102741

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.925956

>  <SCORE.INTRA.VDW.0>
2.80509

>  <SCORE.INTRA.norm>
-0.0520309

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.910469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051385

$$$$
rDock on collection 9274/Array of sdfs_005171.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  199.8077  211.5051  253.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1517  212.1816  252.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7982  212.4591  252.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0259  213.0711  251.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6898  213.2380  251.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7890  213.8344  251.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2032  214.2742  249.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5531  214.1237  249.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4651  213.5347  250.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3302  214.8596  248.8569 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9588  215.0314  248.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2733  214.7034  249.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2900  215.6938  247.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9423  214.7329  246.7776 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0092  214.2619  246.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1720  214.5710  246.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5918  213.3377  244.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5886  212.7851  244.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2549  211.9461  243.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9273  211.6127  242.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9453  212.1572  243.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2629  213.0080  244.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6168  210.8292  241.7065 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6480  210.1703  240.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2508  210.4230  241.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7431  215.0994  247.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.88868769,175.80586993,-3.10125088,85.98857392,-73.78685424,2.54085483
179.43219286,7.69077206,194.11275913,213.12567971,247.40234687,-0.86746497
0.63509015,-2.18165632

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447421/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.92951

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.536

>  <SCORE.INTRA>
-3.47049

>  <SCORE.INTRA.DIHEDRAL>
-6.00573

>  <SCORE.INTRA.DIHEDRAL.0>
8.49495

>  <SCORE.INTRA.POLAR>
-0.502393

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.24051

>  <SCORE.INTRA.VDW.0>
3.05808

>  <SCORE.INTRA.norm>
-0.13882

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.39718

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000396

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  189.3883  216.9325  255.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6343  216.5302  255.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5233  217.4718  254.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1632  218.8249  254.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9170  219.2204  255.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0280  218.2774  255.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5169  220.6349  255.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4198  220.9790  255.7248 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4428  221.6347  254.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6942  221.2516  254.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0965  219.8327  254.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1996  219.5051  253.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5474  222.2321  253.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1397  223.5673  253.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8968  223.9498  254.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0433  222.9792  254.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9653  224.5298  253.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7964  221.9641  253.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7723  224.0525  252.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9500  220.9939  253.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
0.05199088,0.05541542,191.14857607,220.63673377,254.58975074,1.98397985,-0.40635818
2.99027887

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447422/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
3.34306e-06

>  <SCORE.INTRA.DIHEDRAL>
8.55419e-06

>  <SCORE.INTRA.DIHEDRAL.0>
1.89331e-07

>  <SCORE.INTRA.POLAR>
5.21498e-07

>  <SCORE.INTRA.POLAR.0>
-0.367315

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.70713e-06

>  <SCORE.INTRA.VDW.0>
0.519615

>  <SCORE.INTRA.norm>
1.85726e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.3

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008204

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  191.7951  194.4312  246.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5880  194.9326  247.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9193  196.2329  247.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6533  196.6621  248.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0956  197.8475  248.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7973  197.6122  250.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3456  198.4703  250.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7227  196.2695  250.4840 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0700  195.7266  249.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6990  194.2999  249.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9953  193.9723  248.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1137  193.2951  250.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9654  199.0283  248.1977 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4599  200.0501  248.7142 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2639  201.2005  247.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6335  201.0959  246.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4573  202.2051  245.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9176  203.4461  246.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5566  203.5711  247.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7522  202.4641  248.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4563  202.6796  249.5426 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7621  203.9737  249.9452 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6448  201.7068  250.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1009  203.8262  250.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2853  200.8941  250.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
-178.88686953,-2.98953763,-172.45179318,171.60061111,5.63868467,194.16340181
198.82234862,248.59148430,1.93250835,1.05494234,2.78595989

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447423/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.07709

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-6.32291

>  <SCORE.INTRA.DIHEDRAL>
-13.8063

>  <SCORE.INTRA.DIHEDRAL.0>
14.1145

>  <SCORE.INTRA.POLAR>
-0.0233651

>  <SCORE.INTRA.POLAR.0>
-0.968505

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.659674

>  <SCORE.INTRA.VDW.0>
-0.61661

>  <SCORE.INTRA.norm>
-0.274909

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0903081

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000426

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  194.0221  210.9592  256.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9551  211.0181  255.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1902  210.9930  253.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1706  211.0310  252.5698 P   0  0  1  0  0  0  0  0  0  0  0  0
  195.1580  209.0207  252.5042 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.6097  211.7362  251.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3345  213.2124  251.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1509  211.0689  251.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6929  212.2598  250.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7344  212.5732  249.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2689  213.7868  248.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6815  214.7538  249.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7086  214.4395  251.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2922  213.1662  251.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7203  212.7012  253.1920 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.1735  216.3249  249.2999 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.4778  213.9625  247.1754 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  6  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.07322965,92.97979446,92.45457637,-136.50649413,-139.26264740,196.25269199
212.56120778,251.39422911,-2.40904830,-0.98424836,-1.63226122

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447424/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.37727

>  <SCORE.INTRA.VDW.0>
-1.48124

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000511

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  200.0941  195.2145  245.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1433  196.3560  244.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2694  196.6059  244.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3515  195.7245  244.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3086  194.5799  244.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1807  194.3329  245.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1148  192.8509  246.6845 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.4066  192.1979  246.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4179  193.1433  247.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8635  191.6716  245.5808 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.3197  198.0050  243.1143 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
-173.59794611,201.02371754,194.43513872,245.35100426,1.46848599,-0.16383014
-0.53544441

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447425/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36252

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0374806

>  <SCORE.INTRA.DIHEDRAL>
-0.0807266

>  <SCORE.INTRA.DIHEDRAL.0>
1.22796

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00288271

>  <SCORE.INTRA.VDW.0>
-0.728195

>  <SCORE.INTRA.norm>
-0.00340733

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.578411

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006582

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  197.6823  210.5668  258.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3349  211.3742  257.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0982  211.2561  256.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7587  211.9538  255.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6296  212.7841  255.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8725  212.9216  256.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2242  212.2210  257.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5279  211.7466  253.8203 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2199  212.2102  252.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2511  213.0208  252.3153 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0707  213.1905  250.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7117  214.0606  250.5222 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.0704  212.4978  250.2631 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9843  211.7914  251.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9926  210.2410  251.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1078  209.5297  250.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4651  210.2407  250.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4458  211.7699  250.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4030  212.3909  251.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1989  212.4736  248.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1781  211.7314  248.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3156  211.6509  246.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4447  212.3321  245.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4693  213.1090  246.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3722  213.1859  247.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2158  211.0124  253.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
170.65364452,7.86907775,-177.57558319,198.13079422,212.09438241,251.76809044
-1.77362568,0.59510415,-1.40058683

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447434/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.46601

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-0.933992

>  <SCORE.INTRA.DIHEDRAL>
-2.23555

>  <SCORE.INTRA.DIHEDRAL.0>
4.47768

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.183783

>  <SCORE.INTRA.VDW.0>
-2.04396

>  <SCORE.INTRA.norm>
-0.0373597

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.29864

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000226

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  213.2032  189.1735  245.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1181  187.7777  246.0918 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.1238  187.6220  246.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3662  186.7445  245.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9595  187.5697  247.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3175  188.1072  248.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0288  187.4117  249.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9238  188.3228  249.3768 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1067  188.7602  248.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2754  188.3622  247.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9062  189.6215  248.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3749  190.9497  249.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0329  191.1119  250.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2960  190.0202  251.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7715  188.7466  250.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1331  187.8568  251.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9922  188.1808  253.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4979  189.4311  253.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1308  190.3433  252.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4096  189.7987  254.8934 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.7302  188.9399  255.7274 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0322  190.9434  255.1651 O   0  5  0  0  0  0  0  0  0  0  0  0
  210.5490  192.4883  250.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4761  192.7144  251.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8869  194.0146  251.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4005  195.0861  250.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5122  194.8615  249.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0876  193.5640  249.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  3   2   1  20   1  22  -1
M  END
>  <CHROM.1>
79.67553331,65.29191078,-132.02256550,85.64708790,-168.00312054,211.12285549
189.95880972,250.22075574,0.15327481,1.30649077,-0.63582358

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447435/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4504

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
0.0503698

>  <SCORE.INTRA.DIHEDRAL>
3.32724

>  <SCORE.INTRA.DIHEDRAL.0>
6.058

>  <SCORE.INTRA.POLAR>
-0.433018

>  <SCORE.INTRA.POLAR.0>
-1.06698

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.140991

>  <SCORE.INTRA.VDW.0>
-1.05111

>  <SCORE.INTRA.norm>
0.00186555

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.387051

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007310

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  214.6137  195.6779  247.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9999  196.8968  246.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5775  196.5562  244.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0683  197.7904  244.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0448  198.8791  244.3048 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4309  199.2724  245.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9849  198.0758  246.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3775  199.5549  243.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8848  199.2404  242.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3868  200.6981  243.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6405  202.1960  242.4841 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.2883  202.4445  243.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3926  203.4047  243.4358 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5122  203.2548  244.4920 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9270  202.2085  245.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0574  201.6473  244.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3203  201.5473  246.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1049  200.1233  246.1552 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9131  199.3129  247.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8953  199.7776  248.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7592  197.8498  247.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1796  197.3764  245.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0731  196.0090  245.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5502  195.0814  246.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1239  195.5289  247.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2298  196.9028  247.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9013  197.3187  249.5077 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.7093  198.2318  244.9360 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.3109  199.7123  245.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-124.57754995,60.75994701,-178.16339536,125.47490315,161.81716473,-30.79406194
212.52989168,199.09715069,245.56672274,-1.97850472,0.68852793,-0.42951034

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447436/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.1166

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-6.2834

>  <SCORE.INTRA.DIHEDRAL>
-0.121398

>  <SCORE.INTRA.DIHEDRAL.0>
7.74109

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.2227

>  <SCORE.INTRA.VDW.0>
-0.637999

>  <SCORE.INTRA.norm>
-0.224407

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.182736

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000247

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  182.5958  218.4222  260.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8946  218.5725  260.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5684  217.4900  259.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9357  216.2474  259.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6046  216.1350  260.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9424  217.2054  260.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5858  215.0287  259.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0537  213.8203  259.1898 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1098  212.9956  258.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2590  213.7317  258.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9282  215.0628  258.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5135  213.1627  258.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5652  211.7496  258.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4005  210.9927  258.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1622  211.6010  258.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8557  210.9945  258.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7256  210.9300  259.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0406  210.2413  260.6154 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2399  210.7892  260.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6686  210.1792  261.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
173.33762510,81.13306280,60.68185394,-66.75454259,185.61601003,214.07276225
259.43817735,-2.24806295,0.03454263,-2.94662697

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447437/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.53069

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.869309

>  <SCORE.INTRA.DIHEDRAL>
-0.939159

>  <SCORE.INTRA.DIHEDRAL.0>
1.80108

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.39973

>  <SCORE.INTRA.VDW.0>
-0.720869

>  <SCORE.INTRA.norm>
-0.048295

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.473927

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003601

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 43  0  0  0  0  0  0  0  0999 V2000
  214.5582  175.4457  235.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9353  174.9086  234.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8008  175.1742  235.9441 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0800  174.7469  235.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5677  174.2206  234.8253 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8644  175.1545  237.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2432  174.9176  237.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0197  175.3589  238.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4250  176.0288  239.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0443  176.2729  239.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2696  175.8387  238.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1470  176.4014  240.3709 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6266  177.0203  241.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4514  177.2843  241.7356 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7481  177.3538  242.4497 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.9741  176.9696  241.6630 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.5043  176.2985  240.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3172  175.8483  239.6360 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8033  176.0638  242.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3276  174.6690  242.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6952  173.6326  242.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7844  174.7260  242.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6875  173.6982  241.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0130  174.0507  241.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3884  175.4037  241.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4815  176.4202  241.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2040  176.0388  242.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1169  176.8554  242.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2599  178.0009  243.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9450  175.6367  243.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7979  176.4872  243.6998 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.1103  176.9929  245.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8738  176.0904  246.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3291  176.3490  247.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0061  177.5342  247.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2406  178.4405  246.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8046  178.1631  245.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1331  179.0201  244.3962 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  6  0  0  0
 15 31  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
179.44887956,3.49107764,-174.73959703,-177.74452294,168.93980867,222.07581827
176.05580982,241.16892612,2.30765293,0.21509190,-1.93212230

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447438/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49333

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.273684

>  <SCORE.INTRA>
-3.90667

>  <SCORE.INTRA.DIHEDRAL>
-7.20232

>  <SCORE.INTRA.DIHEDRAL.0>
8.33179

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.30551

>  <SCORE.INTRA.VDW.0>
-0.00976585

>  <SCORE.INTRA.norm>
-0.102807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.170877

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001431

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  220.7113  178.5123  240.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7573  179.6445  241.0603 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.6823  179.1233  241.9963 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.3651  179.9061  242.1908 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.4846  179.6045  243.6436 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8233  179.2912  243.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6699  179.1624  244.3758 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0971  180.6856  244.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9504  181.8664  243.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3637  181.7297  242.0868 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.4313  183.1671  244.3690 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.0692  183.5439  243.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1475  185.0459  243.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6043  185.2568  243.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3305  184.2563  244.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7362  180.4459  245.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3275  181.2931  246.6295 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8030  179.1342  246.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5074  180.6647  241.7175 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1113  178.5839  245.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.9265  181.4147  241.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 19  1  0  0  0  0
  3  2  1  6  0  0  0
  3  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-161.32445263,177.65720117,-176.64203935,-111.05926117,2.42114829,217.64263161
181.21059035,243.47533208,-0.34098561,0.90472660,-0.69888816

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447439/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19044

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-2.20956

>  <SCORE.INTRA.DIHEDRAL>
-2.21337

>  <SCORE.INTRA.DIHEDRAL.0>
3.98049

>  <SCORE.INTRA.POLAR>
-0.00841394

>  <SCORE.INTRA.POLAR.0>
-0.306893

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07426

>  <SCORE.INTRA.VDW.0>
-1.43281

>  <SCORE.INTRA.norm>
-0.116293

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.325813

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018855

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  202.3414  194.4118  237.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2426  194.0451  238.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1968  194.7924  239.4713 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0061  194.5388  240.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6802  194.5276  241.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4576  194.3012  242.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5315  194.1100  243.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8355  194.0952  243.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0679  194.3015  241.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2335  193.9333  244.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1606  193.7524  245.8435 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7360  193.5069  247.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5303  193.5460  248.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8873  193.2736  249.3407 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6037  193.0119  248.9407 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4892  193.0945  247.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0885  192.6972  246.7522 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.9727  193.8726  248.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6897  194.1183  247.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0725  194.3254  247.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7498  194.3014  248.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0378  194.0567  249.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6569  193.8399  249.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1038  194.4747  248.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6817  195.3381  249.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6606  194.7551  240.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6385  193.7609  240.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8950  192.6859  249.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
179.70857728,-142.32269394,124.52268804,-179.87525082,-166.58614850,-2.96019277
137.29558873,201.65111141,193.97596861,245.02000295,-1.99156429,0.19502064
1.69016405

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447440/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.28284

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-3.11716

>  <SCORE.INTRA.DIHEDRAL>
0.0274969

>  <SCORE.INTRA.DIHEDRAL.0>
7.8809

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00409881

>  <SCORE.INTRA.REPUL.0>
0.00409881

>  <SCORE.INTRA.VDW>
-3.11042

>  <SCORE.INTRA.VDW.0>
5.15727

>  <SCORE.INTRA.norm>
-0.115451

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.343809

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  211.0315  188.8686  256.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5046  189.9848  255.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8872  189.7332  254.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3384  190.7753  253.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3983  192.0964  254.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0294  192.3282  255.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5832  191.2906  256.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7996  193.1200  253.3746 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1360  193.4971  252.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9671  194.6682  251.6855 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0809  194.4907  250.6512 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7616  193.2155  250.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4164  192.5104  251.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7326  192.5132  249.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6651  191.0918  250.1943 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0137  190.0797  249.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8797  188.8229  249.6200 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3884  188.4395  250.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0472  189.3898  251.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1920  190.8094  251.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8816  191.6674  252.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5692  189.0203  253.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4317  187.6716  253.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7566  186.6980  252.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2312  187.0827  251.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6133  185.8333  250.0746 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.8569  187.2043  254.9566 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.5659  190.3803  247.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7918  193.3169  253.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 18 25  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
63.81703582,145.05877083,-178.34157265,-113.80464923,210.25755328,190.10407772
252.36589628,-2.89252834,-1.13024342,-1.24896940

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447441/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.65463

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-1.74537

>  <SCORE.INTRA.DIHEDRAL>
-0.082549

>  <SCORE.INTRA.DIHEDRAL.0>
4.71368

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.70409

>  <SCORE.INTRA.VDW.0>
-1.71397

>  <SCORE.INTRA.norm>
-0.0623346

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.27338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000101

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  190.6048  223.2282  267.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0127  222.3835  265.9549 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6921  221.0184  265.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0505  220.2370  264.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6336  218.8377  264.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9979  218.0608  263.3527 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2407  218.6540  261.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3223  219.1213  261.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5718  219.7922  259.7863 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.0187  219.9619  259.2402 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.4608  218.6116  258.6419 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.7459  218.3161  257.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6205  217.9091  258.2718 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6858  217.4840  259.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8500  219.0172  258.7989 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0335  220.5504  260.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8015  222.0012  260.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6486  222.4395  261.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4799  223.8795  262.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2181  224.1010  263.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9376  224.1100  262.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5805  222.7377  261.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5668  222.4055  260.5042 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2659  221.8831  262.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4643  216.7176  263.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0225  220.9895  262.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0215  216.2374  262.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  1  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  1  0  0  0
 11 14  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
-179.48770988,-178.34427579,-179.22033869,64.40603961,-117.93137622,177.59740821
2.39124057,-69.54216784,124.46203314,125.50801248,-77.36984169,71.31640740
-114.58250806,179.45878805,190.19219379,220.51713843,261.78994852,-1.90557682
1.49935589,-1.85412140

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447450/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1623

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.696

>  <SCORE.INTRA>
-6.23772

>  <SCORE.INTRA.DIHEDRAL>
-0.857782

>  <SCORE.INTRA.DIHEDRAL.0>
4.24952

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.80883

>  <SCORE.INTRA.VDW.0>
-0.413983

>  <SCORE.INTRA.norm>
-0.249509

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.446491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007177

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  212.1470  194.2388  251.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7594  193.7958  251.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0783  194.2938  252.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2543  192.8110  250.4994 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8550  192.2358  249.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2067  191.4487  248.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1647  192.5844  249.1714 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8611  193.5289  249.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0355  193.8342  249.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8108  191.9151  248.0542 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6044  192.5129  246.6461 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.8372  191.9786  245.9222 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.9058  192.0255  247.0225 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.2295  191.8149  248.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0189  190.9956  246.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2066  191.3959  247.5650 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9676  191.4125  249.2784 P   0  0  0  0  0  0  0  0  0  0  0  0
  218.4655  191.3109  249.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6720  193.0130  249.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7285  191.4291  250.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5936  190.6530  245.4376 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5755  193.9393  246.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2952  192.5377  250.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7192  193.1396  249.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7549  191.4934  251.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3734  190.0578  246.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8312  194.2642  247.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  1  0  0  0
 12 13  1  0  0  0  0
 12 21  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <CHROM.1>
85.07057970,-60.46672883,-59.26074243,156.42403955,67.81964303,158.84880286
88.60229413,45.79065800,213.87750445,192.34886836,248.81222164,-2.80186301
0.19804460,-1.86225113

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447451/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.08385

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-6.31615

>  <SCORE.INTRA.DIHEDRAL>
-2.03437

>  <SCORE.INTRA.DIHEDRAL.0>
8.65718

>  <SCORE.INTRA.POLAR>
-1.38927

>  <SCORE.INTRA.POLAR.0>
-0.232294

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.575456

>  <SCORE.INTRA.VDW.0>
-1.9217

>  <SCORE.INTRA.norm>
-0.287098

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.140175

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038668

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  203.1379  185.3212  254.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1207  186.4385  254.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8333  187.6493  253.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1076  188.7038  254.1805 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1009  189.6115  253.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8200  189.0642  252.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2981  187.8555  252.5571 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0646  187.1299  251.7016 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1688  187.8561  250.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3293  189.4422  250.6117 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.9205  187.4155  249.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0102  188.2022  248.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7309  187.7518  247.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3912  186.5194  247.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2835  185.7177  248.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5628  186.1672  249.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1631  186.0581  246.0791 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4729  186.8247  244.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1960  188.0136  244.8265 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2632  186.1924  243.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5605  187.0004  242.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2291  186.4893  241.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5829  185.1283  241.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2867  184.3193  242.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6315  184.8473  243.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2099  184.6900  240.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2636  183.7494  240.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5314  187.2473  240.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3705  188.3777  240.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6404  185.1741  246.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
94.68723219,179.52989898,7.80244372,-179.79495762,60.24396034,141.40950849
207.14608792,186.99048237,247.40025044,-2.85291256,1.01086669,-0.52063956

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447452/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.54316

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-1.85684

>  <SCORE.INTRA.DIHEDRAL>
1.47654

>  <SCORE.INTRA.DIHEDRAL.0>
5.44873

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.59511

>  <SCORE.INTRA.VDW.0>
3.93988

>  <SCORE.INTRA.norm>
-0.0640289

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.329075

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000245

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  205.1844  201.1370  249.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7896  201.7723  249.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8016  203.2600  249.2033 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4130  203.7278  248.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7100  204.5208  249.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0320  203.2019  247.5361 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2243  204.0741  250.3654 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7601  201.1863  248.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8711  200.4231  247.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9135  200.9157  246.5806 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2555  199.1416  246.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6722  202.5788  247.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3043  205.0476  250.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1932  203.8265  250.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6962  198.6442  246.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-61.37812641,-60.84175874,156.53865074,112.28295256,174.97962836,1.23625253
87.35072702,-178.82998389,203.88684023,202.11880135,248.42999060,-0.93501847
-0.61904273,0.86398400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447453/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.0229

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
-3.3771

>  <SCORE.INTRA.DIHEDRAL>
1.96603

>  <SCORE.INTRA.DIHEDRAL.0>
2.77832

>  <SCORE.INTRA.POLAR>
-0.999753

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.960958

>  <SCORE.INTRA.VDW.0>
0.128183

>  <SCORE.INTRA.norm>
-0.307009

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.729354

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046961

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  182.0001  213.0696  250.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5991  212.0011  250.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3749  210.8380  250.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5548  210.7214  250.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9628  211.8225  249.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1855  212.9824  249.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3174  209.4602  250.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4701  209.2695  249.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1808  207.9630  249.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7572  206.9953  250.2553 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4439  207.8609  248.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0839  206.6918  248.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3065  206.9408  247.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0789  206.0698  247.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3699  208.3187  247.7038 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1604  208.9790  248.1801 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.3735  209.5922  247.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1138  208.8507  245.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5304  209.4528  244.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1793  210.7977  244.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3883  211.5406  245.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9846  210.9420  247.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4444  211.6284  243.2564 Br  0  0  0  0  0  0  0  0  0  0  0  0
  190.3271  208.9911  246.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4120  208.2914  246.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4216  208.9564  245.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3728  210.3396  245.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3005  211.0658  246.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2667  210.3765  246.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2684  212.5725  245.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0617  213.0801  244.9772 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.0227  213.0658  245.7292 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.6976  213.1581  247.1162 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.7402  205.4652  249.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4260  204.8235  248.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
-178.48346413,-0.94909063,-174.03142104,-179.85036002,-7.31883169,-67.03800193
21.67476388,187.43510685,210.20110884,247.02233068,2.82457261,-0.34090689
2.33936372

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447454/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.40886

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-2.99114

>  <SCORE.INTRA.DIHEDRAL>
-6.5045

>  <SCORE.INTRA.DIHEDRAL.0>
8.32823

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.261107

>  <SCORE.INTRA.VDW.0>
-3.37293

>  <SCORE.INTRA.norm>
-0.0879748

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.247319

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001579

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  187.4323  209.6600  255.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0720  210.8591  255.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0818  211.4020  256.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3630  210.3954  256.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3967  211.9428  254.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9230  213.0722  254.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2638  211.4828  253.9222 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6290  212.4171  252.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5742  211.7391  251.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3200  211.5639  250.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4022  210.7569  249.6062 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
119.21209295,179.62703345,-179.87767813,119.31453093,189.30180086,211.31443095
253.46634819,-2.82508185,1.04945702,-0.37541446

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447455/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.893

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-3.507

>  <SCORE.INTRA.DIHEDRAL>
-7.22788

>  <SCORE.INTRA.DIHEDRAL.0>
7.2337

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.106937

>  <SCORE.INTRA.VDW.0>
1.75536

>  <SCORE.INTRA.norm>
-0.318818

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.535727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024946

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  209.4650  207.2878  251.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8927  208.6997  251.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8147  209.6219  252.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3083  210.9176  252.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8018  211.3277  251.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8440  210.4504  249.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4071  209.1230  250.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5159  208.0127  248.8097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.3644  210.9455  248.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3964  211.8489  253.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6564  211.6790  254.5298 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.8711  212.8619  255.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1590  211.5713  254.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4659  210.6945  254.6751 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7088  212.5080  253.2435 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7460  212.3365  251.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2223  213.2557  251.0683 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2263  212.7659  249.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6565  211.5050  249.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1431  210.9294  251.1267 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.5672  210.8756  248.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1215  211.5305  247.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7040  212.7922  247.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7566  213.4140  248.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9754  210.7283  245.6584 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.6149  210.2012  245.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4631  211.6493  244.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0678  209.3338  245.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6519  213.4734  253.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-16.33590069,-178.18504648,134.55513698,88.58894284,-131.36515184,42.42705133
208.90887138,210.85884496,250.04937152,-1.42277032,0.98623713,-1.80896583

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447456/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.94243

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-8.45757

>  <SCORE.INTRA.DIHEDRAL>
-3.904

>  <SCORE.INTRA.DIHEDRAL.0>
7.5236

>  <SCORE.INTRA.POLAR>
0.0638176

>  <SCORE.INTRA.POLAR.0>
-0.0638176

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.72255

>  <SCORE.INTRA.VDW.0>
-1.0472

>  <SCORE.INTRA.norm>
-0.302056

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.105087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000337

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  212.9872  184.0375  247.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9287  183.8605  249.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4768  182.8045  250.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0179  181.5551  249.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9746  181.4209  248.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6220  180.6114  250.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1564  179.3927  249.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4654  182.7853  251.5823 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2262  183.8547  252.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4182  183.7686  253.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2450  184.8969  254.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8818  186.1253  254.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6790  186.2369  252.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8479  185.1124  251.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7146  187.3089  254.9937 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.8904  187.1650  256.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4099  188.3767  254.4448 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.8195  182.5043  254.5157 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.9162  181.4880  253.8129 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0217  182.5237  255.7381 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.7294  181.8857  251.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  4  15   1  17  -1  18   1  20  -1
M  END
>  <CHROM.1>
-2.61089954,179.42884954,-170.95984940,212.18359808,183.74987940,252.35411621
1.36050355,1.48304397,-2.09869467

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447457/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.41153

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.988466

>  <SCORE.INTRA.DIHEDRAL>
-2.84614

>  <SCORE.INTRA.DIHEDRAL.0>
2.98591

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.434603

>  <SCORE.INTRA.VDW.0>
1.6609

>  <SCORE.INTRA.norm>
-0.0494233

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.370577

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  208.3306  192.9946  238.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5885  192.7938  239.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6696  193.4650  238.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8717  193.3750  239.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1340  192.7456  240.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8578  194.0605  238.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1411  194.0631  238.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1598  194.5237  237.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9373  194.8565  236.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3691  194.3829  238.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4974  194.7329  237.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7584  194.5163  238.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-179.88361353,3.42088134,-177.48125094,-3.39899340,177.42307714,179.98130945
213.52709687,193.86991672,238.33237170,2.92615211,0.12901448,2.01495545

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447466/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.8937

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-5.5063

>  <SCORE.INTRA.DIHEDRAL>
-10.3657

>  <SCORE.INTRA.DIHEDRAL.0>
10.5564

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.323471

>  <SCORE.INTRA.VDW.0>
1.31365

>  <SCORE.INTRA.norm>
-0.458858

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.491142

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040136

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  187.4810  215.6032  256.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3691  215.8705  257.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6424  215.0155  257.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5799  215.2401  258.4346 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.8761  214.4249  258.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6838  212.9124  258.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0689  212.4588  259.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7374  213.1183  260.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7875  214.9339  260.0576 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-179.74358855,-177.00248382,189.97377179,214.46708388,258.59027295,-2.38123673
-0.57825682,1.74382422

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447467/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.28568

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.11432

>  <SCORE.INTRA.DIHEDRAL>
-0.350767

>  <SCORE.INTRA.DIHEDRAL.0>
0.466102

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.061064

>  <SCORE.INTRA.VDW.0>
-0.60388

>  <SCORE.INTRA.norm>
-0.0127022

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.80952

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.113760

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  190.6747  209.5921  247.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2481  210.8550  246.6486 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4068  210.4321  245.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7095  210.0229  246.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4459  211.1843  247.1383 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.8059  210.6684  247.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5637  211.7931  248.4173 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7080  212.3073  249.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3709  212.8454  249.0592 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6198  211.7188  248.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6308  213.9893  248.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4925  213.4864  246.8950 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.8251  212.9460  247.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7438  212.3565  246.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2061  211.6725  245.9778 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2132  212.1812  246.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7861  212.8165  245.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
-73.85493240,62.60581285,-68.21989061,-174.28007444,193.49104331,211.81014394
247.22087062,-2.92890751,-0.30036361,0.05974963

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447468/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.20117

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-0.198826

>  <SCORE.INTRA.DIHEDRAL>
0.957542

>  <SCORE.INTRA.DIHEDRAL.0>
0.302571

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.677597

>  <SCORE.INTRA.VDW.0>
4.98721

>  <SCORE.INTRA.norm>
-0.0116957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.541246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000737

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  201.4191  191.8389  245.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0289  192.6024  243.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7774  193.9339  244.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4842  194.4036  243.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1701  195.7467  244.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1402  196.6386  244.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4366  196.1775  244.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7511  194.8328  244.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7972  198.0882  244.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6858  198.4375  246.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8173  197.4848  246.9198 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2109  196.3708  247.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7941  195.9742  248.0086 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.1009  195.5609  247.8656 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6154  194.5706  246.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1924  193.2918  246.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6855  192.3218  246.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6810  192.5381  245.2481 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1802  193.7943  245.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6172  194.8367  246.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0279  196.4263  245.6802 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.4923  192.8919  248.0435 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.5719  193.4944  243.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9967  193.7988  242.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8394  197.7326  247.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3701  196.0857  248.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-119.82823281,-122.30245480,107.18084852,-50.13779541,96.88523569,86.17678987
84.30643410,198.97728462,194.85358436,245.75402220,-1.45557158,0.05805183
0.47211408

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447469/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34412

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-7.05588

>  <SCORE.INTRA.DIHEDRAL>
5.74092

>  <SCORE.INTRA.DIHEDRAL.0>
5.33433

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.92634

>  <SCORE.INTRA.VDW.0>
1.85309

>  <SCORE.INTRA.norm>
-0.293995

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.222672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000064

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  206.2629  200.9566  250.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2672  201.4122  252.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3901  202.4621  252.3715 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8197  202.7082  251.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3524  201.7649  250.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8415  203.7737  250.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4341  204.6077  251.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4827  205.6118  251.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9297  205.7901  250.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3236  204.9771  249.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2755  203.9725  249.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7486  207.0147  250.2264 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.1802  202.9729  253.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-0.18418436,203.47458643,204.14873107,250.88245326,0.07222093,0.82536713
-1.90778054

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447470/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.0282

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-1.3718

>  <SCORE.INTRA.DIHEDRAL>
-3.0474

>  <SCORE.INTRA.DIHEDRAL.0>
3.04901

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.151901

>  <SCORE.INTRA.VDW.0>
-0.531327

>  <SCORE.INTRA.norm>
-0.114317

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.419017

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000756

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  219.4019  186.7680  241.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9357  186.7620  239.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1692  185.5971  239.3617 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.0267  184.3698  238.7759 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.0476  184.1962  237.6932 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9119  185.5839  237.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0274  186.3887  236.7653 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9240  183.4040  237.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9492  182.4910  238.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1909  181.9865  239.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6217  183.0076  239.7092 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.6856  181.8722  239.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9201  181.4709  240.9604 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1745  182.4354  241.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2212  183.6388  241.6725 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2441  181.8818  243.1029 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5906  183.6767  237.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5839  184.7345  236.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7094  182.7790  237.2041 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.7536  185.5507  239.9959 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5160  186.0478  239.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3735  186.7092  238.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3561  185.7329  240.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3842  184.5777  240.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1222  183.4159  241.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3944  182.4289  240.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1054  182.8615  238.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6572  184.4608  238.7210 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.1807  181.7676  243.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5630  181.1658  243.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.7279  184.9864  240.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  1  19  -1
M  END
>  <CHROM.1>
-87.52807460,92.33838493,-12.69324472,-153.20334084,65.16106749,0.77873341
103.46003541,-101.23606935,118.19580230,216.20538782,184.08658612,239.40685893
-0.24710583,0.14026235,2.34446690

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447471/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.84243

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-10.5576

>  <SCORE.INTRA.DIHEDRAL>
-6.47326

>  <SCORE.INTRA.DIHEDRAL.0>
13.7482

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.92093

>  <SCORE.INTRA.VDW.0>
-2.24463

>  <SCORE.INTRA.norm>
-0.377056

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.13723

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001390

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  200.3882  217.1114  258.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9575  217.3893  256.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5716  217.7085  256.7947 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9563  218.0046  255.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5805  218.1876  255.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8259  218.5565  254.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4410  218.7575  253.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8208  218.5474  253.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5766  218.1740  254.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6762  219.3098  252.3029 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3495  218.8545  252.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8553  217.9704  252.9334 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4592  219.5279  251.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0903  219.2249  251.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2609  219.8999  250.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8045  220.8655  249.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1734  221.1634  249.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0123  220.5012  250.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3583  220.8681  250.5438 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1188  220.3157  251.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7458  220.9772  251.4924 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6718  222.4091  252.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2264  221.9972  253.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1752  221.6163  254.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7805  221.2104  256.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4255  221.1959  256.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4744  221.5851  255.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8700  221.9804  254.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8617  220.7055  258.1328 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.0194  220.7391  257.3482 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
179.73081412,174.56450998,-38.64518884,-91.94291877,60.12222045,89.86129434
196.37583327,219.93753064,254.06254350,0.22590295,0.90006048,2.99151154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447472/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.61311

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-6.78689

>  <SCORE.INTRA.DIHEDRAL>
-6.20343

>  <SCORE.INTRA.DIHEDRAL.0>
13.8109

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.68517

>  <SCORE.INTRA.VDW.0>
-1.29418

>  <SCORE.INTRA.norm>
-0.22623

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.15377

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000036

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  192.2488  220.0436  249.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2195  219.0013  250.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4919  219.5110  251.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4777  218.7096  251.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1646  218.8451  253.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4552  217.8039  253.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0013  216.7652  253.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0485  216.8273  251.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8308  217.7620  251.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4557  215.5840  251.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0187  214.7360  252.4054 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6654  215.4803  253.6202 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5764  213.2902  252.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6222  220.0829  254.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7591  219.7581  254.9634 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9104  219.4248  254.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1403  218.1269  253.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4822  216.8668  253.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9650  215.8940  253.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2747  216.4607  252.1436 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.1967  218.0068  252.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0624  218.9650  252.5070 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8206  220.1200  253.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8017  220.3969  253.9539 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5158  219.0485  255.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
177.91240684,152.58178703,-105.03745652,67.29772464,-83.38707360,190.62408200
217.77250497,252.68806865,0.63955319,0.13419527,0.25179138

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447473/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.23783

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-5.16217

>  <SCORE.INTRA.DIHEDRAL>
-1.09165

>  <SCORE.INTRA.DIHEDRAL.0>
3.31755

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.61634

>  <SCORE.INTRA.VDW.0>
0.218179

>  <SCORE.INTRA.norm>
-0.21509

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.218243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  211.6785  188.7815  248.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7371  188.1457  249.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3720  188.9047  249.2003 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.8392  188.4750  247.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6083  189.1121  246.7505 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1443  190.3986  246.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0362  190.8280  245.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5172  192.1399  245.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0985  193.0615  246.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3059  192.6068  247.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8730  191.2773  247.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4375  194.5254  246.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1738  194.8369  245.6442 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.3186  195.3021  246.6737 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.1461  194.9863  247.8148 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.3421  187.2651  247.1978 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0543  186.5844  246.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6237  187.3606  246.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-67.64424490,150.60917247,-118.71974723,175.14923373,-0.18510300,215.78631882
191.28030832,247.42413372,2.33778537,-0.73076056,-2.84572293

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447474/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.08478

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-1.31522

>  <SCORE.INTRA.DIHEDRAL>
-4.97481

>  <SCORE.INTRA.DIHEDRAL.0>
7.36127

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.17218

>  <SCORE.INTRA.VDW.0>
-1.92049

>  <SCORE.INTRA.norm>
-0.0822015

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.567798

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000161

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  204.9111  209.8639  246.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9291  209.0918  248.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5997  209.8671  249.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9303  209.5136  249.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6731  210.1731  250.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0798  211.2988  251.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7700  211.6648  250.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9863  210.9159  249.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6534  211.1915  249.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9081  211.6318  250.9068 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4225  211.7725  250.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0833  210.6559  252.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1762  210.9967  253.2474 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2439  209.3445  251.6701 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4680  208.2758  252.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7976  208.4417  253.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8653  208.5141  252.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6793  212.1328  252.0581 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0056  209.6674  250.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6689  209.5025  252.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9273  208.9508  251.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0579  208.7408  250.5117 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8559  209.0912  250.0228 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1664  209.8216  253.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9221  210.1859  253.7519 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6665  210.2780  255.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7512  209.9958  255.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1274  209.6595  254.9471 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.2939  210.6362  255.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0325  209.1242  250.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6598  208.7434  252.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9162  211.6502  252.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6824  208.9335  249.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 33  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-101.57511401,-138.54008851,-61.47765960,144.73033911,-174.40609320,142.25660317
-64.79650290,-56.61573106,172.25264430,7.44897684,206.55395033,210.04894733
251.83445528,-2.67699246,-0.16561929,1.51790365

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447475/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.994486

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-12.4055

>  <SCORE.INTRA.DIHEDRAL>
-3.38278

>  <SCORE.INTRA.DIHEDRAL.0>
17.655

>  <SCORE.INTRA.POLAR>
-1.95845

>  <SCORE.INTRA.POLAR.0>
-0.0232123

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.05539

>  <SCORE.INTRA.VDW.0>
-3.12415

>  <SCORE.INTRA.norm>
-0.427776

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.0342926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000478

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  206.1828  207.7562  256.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2272  206.5154  257.0304 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.8263  206.9673  258.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3105  206.5177  259.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7262  207.9534  258.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2923  208.5396  257.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8559  208.2925  256.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2015  209.4076  257.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5619  209.7070  258.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0144  209.1313  259.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0987  208.2554  259.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2113  209.4986  261.1717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.6087  205.8523  257.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6842  204.5640  257.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8496  203.4810  257.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8400  202.3364  258.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6736  202.2629  259.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5406  203.3106  259.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5450  204.4586  258.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6110  200.8834  260.4660 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  1  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-176.14440360,57.52686009,205.63010234,206.14437664,258.75118498,-2.56589886
-0.85433841,2.24034796

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447476/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
7.02272

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
0.745299

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.351136

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000418

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 40  0  0  0  0  0  0  0  0999 V2000
  218.4692  188.5806  247.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5325  189.9257  247.7770 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.3406  190.6186  246.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1001  189.9036  246.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9277  188.5220  245.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1189  187.7853  246.7510 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7492  188.1038  244.9565 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4117  189.2053  244.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0290  190.3125  245.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9047  186.7429  244.4836 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.7522  185.8329  245.3758 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.2942  184.4405  244.9399 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.8326  184.6638  244.4966 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.6144  186.0947  244.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4019  184.0640  243.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1668  184.5890  242.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0401  184.0905  240.5521 P   0  0  1  0  0  0  0  0  0  0  0  0
  220.1195  182.5956  240.4794 O   0  0  0  0  0  0  0  0  0  0  0  0
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  222.6679  184.6063  239.9851 S   0  0  0  0  0  0  0  0  0  0  0  0
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  222.7549  185.4716  241.3472 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0374  183.9254  243.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
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  223.5506  182.9769  245.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
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  219.3948  192.0011  247.0664 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9156  184.0318  240.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.2028  185.0260  242.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.8309  182.9882  242.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.5280  182.5617  244.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.5427  186.1193  246.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.6307  192.4693  246.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.6484  192.3159  247.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  1  0  0  0
 12 13  1  0  0  0  0
 12 25  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  6  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 24 33  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <CHROM.1>
-81.52418149,-76.58386557,36.84324035,59.64548789,-60.08668042,175.27764231
-49.91100285,-59.87084192,56.30685475,42.45539257,64.34345507,50.56788062
79.63410792,13.92364105,221.23924168,185.75481277,243.52754740,1.99339645
-0.73764413,1.06894111

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447477/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
-0.510474

>  <SCORE.INTRA.REPUL.0>
0.510474

>  <SCORE.INTRA.VDW>
-2.97892

>  <SCORE.INTRA.VDW.0>
-4.03267

>  <SCORE.INTRA.norm>
-0.782691

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
-0.318175

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.091445

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 47  0  0  0  0  0  0  0  0999 V2000
  219.2528  182.2500  243.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6575  182.4533  243.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9064  183.8434  243.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3951  184.1586  243.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1988  183.5372  244.5028 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.8894  182.3306  244.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4783  182.0668  245.5145 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.2181  183.0780  246.4016 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.4854  183.9689  245.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0117  185.4886  246.4745 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.9614  185.0853  247.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8274  184.1798  247.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5307  184.3825  247.6290 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9026  183.2498  247.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8528  182.4224  246.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1068  182.9424  246.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7864  181.1121  246.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9987  180.4754  245.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0049  179.2402  245.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8542  178.6051  244.8636 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6813  179.1930  245.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5251  178.5044  244.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2537  179.0299  245.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1279  180.2766  245.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2727  180.9866  245.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5731  180.4652  245.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2600  178.5321  244.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4421  178.8432  245.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6652  178.2375  245.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7286  177.3108  244.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5517  176.9617  243.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3350  177.5567  243.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9643  176.7958  243.8803 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0431  175.4001  243.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8391  178.5350  245.8897 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.8268  178.3423  247.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0578  181.4745  243.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2890  181.5614  241.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5472  180.6943  240.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4949  179.7409  240.9542 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.2160  179.6413  242.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0380  180.4687  243.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 35  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <CHROM.1>
-174.73332833,-60.62832345,92.03457285,-15.77240185,118.88464117,-53.89622240
-120.97987694,179.75490714,21.03700273,57.15481201,137.10703534,222.08423772
180.95050177,244.91512541,2.35488725,0.16180686,0.28113641

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447478/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64967

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.390476

>  <SCORE.INTRA>
-10.7503

>  <SCORE.INTRA.DIHEDRAL>
1.71326

>  <SCORE.INTRA.DIHEDRAL.0>
12.1768

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.607

>  <SCORE.INTRA.VDW.0>
2.93625

>  <SCORE.INTRA.norm>
-0.25596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.134516

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001609

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  205.5990  208.6873  246.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1601  209.6732  247.3426 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8179  209.9637  247.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2882  210.3734  248.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9467  210.7094  248.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1018  210.6117  247.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5900  210.1928  246.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9723  209.9091  246.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6444  210.1812  245.0809 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2945  211.5862  244.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0501  212.6581  244.7762 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3428  213.7222  244.2981 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1707  213.3399  243.8171 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1390  211.9914  243.9703 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9936  211.2726  243.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3781  210.2542  242.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5062  209.0257  242.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2673  208.9999  244.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2231  210.4657  244.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0363  209.3101  243.9618 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8049  207.8772  244.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0468  207.0233  244.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2484  207.4498  243.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3585  206.5917  243.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4972  206.9856  242.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5314  208.2329  242.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4328  209.0911  242.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2867  208.7214  242.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1260  209.6981  243.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0951  210.4616  249.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9757  210.1921  249.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  1  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 29  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
150.29081566,-0.01887843,70.66126643,27.02138757,77.39834532,-58.99173387
201.69567676,209.85091469,244.83814212,0.09716709,-0.45163379,1.03804907

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447479/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.40235

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-1.99765

>  <SCORE.INTRA.DIHEDRAL>
1.08426

>  <SCORE.INTRA.DIHEDRAL.0>
4.85334

>  <SCORE.INTRA.POLAR>
-0.000234434

>  <SCORE.INTRA.POLAR.0>
-0.349397

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.53898

>  <SCORE.INTRA.VDW.0>
-1.82225

>  <SCORE.INTRA.norm>
-0.0665883

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.280078

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000312

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  200.7888  208.6722  256.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4479  209.7101  255.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1621  210.6595  256.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2140  210.5938  257.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5677  209.5205  258.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8543  208.5729  257.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9802  211.6304  258.5390 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3668  211.7907  258.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4849  212.9702  257.6984 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2886  213.6446  257.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0740  214.7997  257.5138 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3343  212.8752  258.4519 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  4  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-53.15023679,202.49281630,211.38340968,257.52396140,2.61065524,1.01859993
2.40113796

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447480/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.85266

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.547338

>  <SCORE.INTRA.DIHEDRAL>
-0.0429445

>  <SCORE.INTRA.DIHEDRAL.0>
0.752811

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.525865

>  <SCORE.INTRA.VDW.0>
-0.262694

>  <SCORE.INTRA.norm>
-0.0456115

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.487722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008699

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  205.7329  193.9736  245.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5073  194.2125  244.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5939  195.5074  243.3780 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3684  195.6427  242.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7625  196.7224  244.1980 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9741  197.5194  244.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7963  197.0155  245.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8352  196.2682  245.3913 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9125  198.2439  246.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2238  198.2650  247.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3069  199.3981  248.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6711  199.4004  249.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7407  200.5099  250.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3998  201.6518  249.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0118  201.6693  248.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0387  200.5271  247.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7367  200.4090  246.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6791  199.2780  245.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6862  201.4273  245.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5257  202.1537  246.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4334  203.1165  246.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5961  203.3261  244.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8249  202.5973  244.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8591  201.6839  244.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8827  200.9585  243.2347 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
176.63348031,118.44668711,-159.16524113,35.85389078,204.69069391,199.24849622
245.69801395,1.84342627,-1.00966121,-2.52005380

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447481/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07698

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.32302

>  <SCORE.INTRA.DIHEDRAL>
-0.67412

>  <SCORE.INTRA.DIHEDRAL.0>
5.22939

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.985962

>  <SCORE.INTRA.VDW.0>
1.03637

>  <SCORE.INTRA.norm>
-0.0529209

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.323079

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008655

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  198.4715  199.9660  250.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6807  201.1620  250.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5778  202.0643  250.0503 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2675  201.7922  248.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0134  202.5957  248.3219 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0786  200.5490  248.3479 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2212  199.5998  248.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0576  198.5131  248.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7770  203.3817  250.6358 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6923  204.4079  250.3162 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.9133  205.4117  251.4251 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2581  204.4968  252.6142 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8724  203.2995  252.0736 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2232  205.0915  253.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4879  205.3275  253.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9406  206.3231  251.0315 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4518  203.8616  250.4661 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.5874  200.3259  247.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2947  205.9010  252.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6545  206.8082  250.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  9  3  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
-77.60787578,61.63694677,-63.56485193,55.90286638,199.53881516,202.89718590
250.51317965,1.67735818,-0.58974790,-2.50668299

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447490/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.99603

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-6.34012

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-0.155937

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.703728

>  <SCORE.INTRA.VDW.0>
-0.304907

>  <SCORE.INTRA.norm>
-0.259057

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.176237

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024658

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  208.9318  177.0258  247.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4237  177.0152  247.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2129  176.8790  248.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6827  176.7083  249.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7007  176.9327  248.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5597  176.8552  248.9759 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9393  177.0709  246.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3069  177.1857  246.2162 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.8770  177.1597  244.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7872  177.8159  243.7040 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.9900  179.3347  243.9659 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0169  180.2732  242.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5641  181.5836  243.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6330  182.6670  242.7887 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0403  181.4192  244.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2501  180.1331  245.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0177  179.6446  246.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9484  178.5012  246.8032 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.5466  178.9007  246.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5010  179.4169  245.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7341  180.0568  247.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2786  177.6919  247.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0102  177.0066  248.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2273  177.3464  249.2648 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8819  175.7996  248.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5557  182.5177  245.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0830  176.9794  243.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
178.44056080,178.63529859,174.44440303,77.35878395,-58.13154206,-5.62811311
214.42101853,178.49758127,246.34033978,2.02518189,0.01081368,2.30544974

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447491/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44372

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-4.95628

>  <SCORE.INTRA.DIHEDRAL>
-5.56461

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.17397

>  <SCORE.INTRA.VDW.0>
0.928508

>  <SCORE.INTRA.norm>
-0.183566

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.238656

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003172

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  192.6141  206.5113  242.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5127  207.0930  241.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6011  208.5873  241.2363 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5902  208.9798  240.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1817  209.5585  242.7456 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.8010  209.5777  244.0607 P   0  0  1  0  0  0  0  0  0  0  0  0
  192.9104  210.9113  244.7398 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7271  208.3242  245.0757 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6524  208.1960  245.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1678  209.1645  243.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4755  209.7493  242.0334 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6561  211.3368  242.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4940  211.9951  240.5575 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.1135  212.2986  242.0959 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.6315  211.8326  243.4602 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.9868  208.8551  241.3642 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.1990  209.1134  242.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8149  208.4646  244.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7512  206.9403  244.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7880  208.9277  245.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
169.76607713,77.63850834,142.93743897,-62.70537789,46.16664166,61.34037696
163.13081412,-57.28874295,63.66804921,64.88361608,194.00212066,209.73204999
242.79456969,-2.86853278,-0.16964872,-0.60634377

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447492/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.75526

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.77

>  <SCORE.INTRA>
-6.64474

>  <SCORE.INTRA.DIHEDRAL>
-5.78035

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.75457

>  <SCORE.INTRA.VDW.0>
-4.19153

>  <SCORE.INTRA.norm>
-0.332237

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.437763

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002953

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  217.2141  181.1641  238.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6500  180.3796  239.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6314  180.8899  240.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9585  180.1424  241.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3502  178.9241  241.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3947  178.4182  240.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0405  179.1444  239.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5293  178.0422  242.8248 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.2104  182.1176  241.2143 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4921  182.1134  241.9518 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2924  183.3541  241.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5138  184.5747  241.7608 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1629  184.5598  241.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3800  183.2885  241.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1573  185.6830  242.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3810  185.7011  242.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3588  186.8318  242.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0168  186.8207  242.7817 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6401  188.0793  243.1958 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7444  188.8341  243.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8597  188.0669  243.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5025  190.2007  243.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5740  191.0573  244.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3451  192.3720  244.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0417  192.8470  244.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9671  192.0107  244.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1962  190.6977  244.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-106.48486356,8.97537185,-179.76277999,217.14581051,184.63244454,242.24400719
-1.74088300,0.50563149,0.33560244

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447493/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44074

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-1.95926

>  <SCORE.INTRA.DIHEDRAL>
-2.75545

>  <SCORE.INTRA.DIHEDRAL.0>
3.41902

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.581537

>  <SCORE.INTRA.VDW.0>
-0.486925

>  <SCORE.INTRA.norm>
-0.0725653

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.238546

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004285

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  202.8793  205.8268  245.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9797  204.7536  245.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5836  203.4875  246.1509 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2241  203.0109  245.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1926  204.1563  245.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5217  205.4126  245.2656 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4794  205.2592  243.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0895  204.9914  243.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6716  203.7260  242.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3612  203.5220  242.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4617  204.5832  242.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8604  205.8516  242.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1672  206.0548  243.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8432  204.3214  241.8298 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.7261  202.3567  242.7614 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.4011  202.8191  247.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3129  201.4157  247.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1270  200.6656  248.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0723  201.3021  248.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1881  202.6853  248.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3557  203.4394  247.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5194  205.1622  248.0430 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-150.74820597,-173.44000117,-105.18704027,201.73396964,203.88519859,245.05786322
-0.08957662,-0.63709750,0.07235148

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447494/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.01171

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-0.388288

>  <SCORE.INTRA.DIHEDRAL>
-1.59594

>  <SCORE.INTRA.DIHEDRAL.0>
5.83634

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.409684

>  <SCORE.INTRA.VDW.0>
-1.02088

>  <SCORE.INTRA.norm>
-0.0176494

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.364169

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000555

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  194.2851  219.6646  253.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4839  220.1456  252.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0302  221.2905  253.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1917  221.8703  252.6803 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6232  223.2107  253.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1931  223.9927  252.4329 Br  0  0  0  0  0  0  0  0  0  0  0  0
  198.3247  220.8370  252.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9600  220.4483  251.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0628  219.4541  251.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4229  218.7295  252.7987 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6859  219.1000  254.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7189  220.2894  254.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0675  217.7990  254.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2335  217.7564  255.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6831  216.7626  253.8645 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2656  217.2276  252.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6221  216.5898  251.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6769  215.3872  254.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3694  214.4059  253.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4467  213.0736  253.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8237  212.6881  255.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1389  213.6364  255.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0739  214.9688  255.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
179.34413912,171.99144273,-179.50190199,124.73920139,-177.94929303,198.82075580
219.29311333,253.32797546,1.73575200,0.29502177,-0.26021663

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447495/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.45648

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-0.943516

>  <SCORE.INTRA.DIHEDRAL>
-1.00448

>  <SCORE.INTRA.DIHEDRAL.0>
1.7256

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.441278

>  <SCORE.INTRA.VDW.0>
-1.0261

>  <SCORE.INTRA.norm>
-0.0410224

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.411151

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002450

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  189.5990  217.6066  258.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6059  216.4368  257.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4127  217.0213  256.0745 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.3666  218.3191  258.6673 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4343  219.0490  259.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
61.20889411,-179.93514127,189.25866104,217.30470495,257.38370484,-1.90645939
0.90071978,-1.69733065

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447496/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03553

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-0.364468

>  <SCORE.INTRA.DIHEDRAL>
-0.0612237

>  <SCORE.INTRA.DIHEDRAL.0>
0.0667717

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.333856

>  <SCORE.INTRA.VDW.0>
0.0783148

>  <SCORE.INTRA.norm>
-0.0911171

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.50888

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.036983

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  213.7366  200.3586  249.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1189  198.9676  249.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8848  198.7711  250.0221 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6661  199.6306  249.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2300  200.6233  250.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0561  201.3418  250.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3101  201.0986  249.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7610  200.1646  248.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9328  199.4497  248.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5221  197.2776  250.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1892  196.4322  249.5899 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4803  196.8744  251.0158 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2956  195.4442  251.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4843  195.2125  252.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2630  196.8340  253.2889 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.5092  197.7130  251.7075 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.1840  197.8650  250.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9655  197.1511  249.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7910  197.3106  249.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7918  198.1614  249.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9789  198.8750  250.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1577  198.7105  251.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9468  199.6979  251.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3120  201.0293  251.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7542  196.5960  247.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1433  197.2248  246.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
64.22128030,-113.84513666,-2.79390591,4.11684773,-142.20288754,-131.27485392
208.98495274,198.31659706,250.25216465,-0.12148009,0.02947518,-0.60713974

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447497/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.87518

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-2.52482

>  <SCORE.INTRA.DIHEDRAL>
3.59257

>  <SCORE.INTRA.DIHEDRAL.0>
3.43032

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.3211

>  <SCORE.INTRA.VDW.0>
0.801122

>  <SCORE.INTRA.norm>
-0.0971083

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.341353

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000358

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 56 60  0  0  0  0  0  0  0  0999 V2000
  202.9221  219.4739  259.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0000  218.5669  258.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9111  218.8095  257.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9392  219.7660  256.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2151  219.7380  255.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1591  220.7258  255.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1031  220.2321  254.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7618  218.9149  254.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6342  218.6429  255.1028 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3946  217.9699  253.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0538  216.5132  253.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7147  215.4072  254.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8060  214.2904  253.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6465  214.7760  253.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9498  216.0145  252.8350 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2572  214.2054  253.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2858  215.0366  254.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0308  214.8225  254.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6691  216.1257  255.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9149  216.4590  255.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5675  216.3485  254.4246 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6465  215.7924  256.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9244  216.7246  258.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2682  217.2098  259.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0661  216.5511  260.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2229  215.5716  260.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5899  216.2023  260.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4448  215.9609  259.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7953  217.0828  261.7239 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8000  217.7633  257.8653 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6720  216.9928  254.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2115  213.5991  254.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1012  213.1347  256.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4159  214.1642  257.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9323  214.8081  257.9418 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1185  214.3196  256.6894 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9948  212.8935  254.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0947  215.3637  254.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3692  216.4107  255.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1930  216.5848  256.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5198  217.6037  256.7201 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9317  215.4643  257.3406 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2266  221.0244  254.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7234  221.9178  252.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0999  221.1187  251.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6450  220.8215  250.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8409  220.7291  252.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1293  222.0659  256.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1904  217.7277  255.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3336  216.5563  252.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6082  217.0951  253.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6784  217.5038  261.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6641  217.6691  257.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6555  215.0041  257.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1802  215.5674  257.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4123  220.1899  251.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 24  1  0  0  0  0
  2  3  2  0  0  0  0
  3 30  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  2  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 54  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 55  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 56  1  0  0  0  0
M  END
>  <CHROM.1>
-79.98044154,51.12324369,111.38958285,-142.09314803,55.73790226,-113.14206504
179.77635171,62.40775344,-113.01921595,-178.24843304,41.33170181,-114.57801697
179.17349199,-60.29353973,-100.17129080,-178.80754919,205.95620673,217.10224845
255.91125847,-2.77708216,-0.78548217,-1.87874646

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447506/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.51737

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3625

>  <SCORE.INTRA>
-15.8826

>  <SCORE.INTRA.DIHEDRAL>
-0.886005

>  <SCORE.INTRA.DIHEDRAL.0>
12.196

>  <SCORE.INTRA.POLAR>
-1.05622

>  <SCORE.INTRA.POLAR.0>
-0.943777

>  <SCORE.INTRA.REPUL>
-0.498561

>  <SCORE.INTRA.REPUL.0>
0.562444

>  <SCORE.INTRA.VDW>
-9.35567

>  <SCORE.INTRA.VDW.0>
0.297051

>  <SCORE.INTRA.norm>
-0.330888

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
0.0316118

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001090

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  193.1933  230.3640  249.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1993  229.2570  249.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7517  228.5368  248.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8491  228.3075  250.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8723  227.2789  251.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4498  226.2407  252.5367 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.2689  225.3840  253.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4557  225.2763  251.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6752  225.9518  251.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9263  225.9828  250.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4915  226.5012  252.2041 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0964  226.9374  253.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9129  226.2103  254.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4332  226.7972  255.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1524  228.1268  256.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3741  228.8756  255.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8618  228.2906  254.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2838  226.9321  251.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
171.72257294,178.13591163,175.53626194,61.66415855,-166.63264846,-114.53107824
179.54611312,193.31333581,227.31162760,252.32191482,2.07286253,1.17103784
-1.78890705

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447507/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.07828

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-2.32172

>  <SCORE.INTRA.DIHEDRAL>
-0.738333

>  <SCORE.INTRA.DIHEDRAL.0>
3.08047

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.95256

>  <SCORE.INTRA.VDW.0>
1.77298

>  <SCORE.INTRA.norm>
-0.136572

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.534016

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  198.4070  218.5081  245.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1931  217.8846  246.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5816  217.6472  248.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3021  217.0676  249.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6547  216.7261  248.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2645  216.9380  247.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5387  217.5163  246.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3555  216.0724  250.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7183  215.9133  251.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6899  215.7556  249.9489 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4094  215.1152  250.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0088  214.6757  252.1048 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0240  214.0479  252.8077 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1587  213.9935  252.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0614  214.8157  250.6090 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.3075  213.3794  252.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2391  214.0523  253.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8885  215.2824  252.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1720  216.6332  252.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3583  217.4008  254.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7145  216.7750  255.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1843  215.3587  255.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5381  214.3107  254.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1851  216.0477  249.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.6959  212.6392  251.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-2.28390647,3.08174624,-82.13086049,-66.73065635,203.61015132,215.83378199
251.11130465,-3.04649005,0.73459029,-2.93655078

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447508/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.9211

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-2.4789

>  <SCORE.INTRA.DIHEDRAL>
-4.71371

>  <SCORE.INTRA.DIHEDRAL.0>
6.01892

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.122048

>  <SCORE.INTRA.VDW.0>
-1.51612

>  <SCORE.INTRA.norm>
-0.107778

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.300917

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000358

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  192.1033  215.3186  259.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4212  216.5616  259.8094 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4939  216.6654  258.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3125  217.3111  259.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2798  217.4930  258.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4137  217.0424  256.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5974  216.3867  256.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6441  216.2180  257.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3533  217.1616  255.9975 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.9143  216.2024  255.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8939  216.4325  253.4104 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.5671  214.9740  255.6847 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9999  214.9261  257.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7380  214.0555  258.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0535  212.9768  258.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7032  212.1076  259.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0412  212.3156  259.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7334  213.3905  259.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0836  214.2630  258.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6768  211.4648  260.6281 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.8417  213.6663  255.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9185  212.8036  255.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2367  213.0492  255.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1343  212.1268  256.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5034  212.3711  256.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3476  211.5222  257.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8159  210.3972  257.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4409  210.1402  257.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6156  211.0029  257.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2467  210.7407  256.9387 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3811  211.5314  256.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2047  211.2073  256.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7096  209.6283  258.5699 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2978  209.1085  259.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7059  211.7197  257.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1170  212.9536  257.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6332  217.8302  256.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8469  209.9113  257.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 31  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 35  1  0  0  0  0
 27 28  1  0  0  0  0
 27 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 38  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
137.91171948,-136.65157688,-120.39897803,-124.43255265,109.36163311,-119.41778650
-65.47351378,60.35207107,140.49331529,189.17533000,213.59156323,257.41534431
-0.78219759,-0.47642927,-0.04743390

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447509/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.21743

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-7.18257

>  <SCORE.INTRA.DIHEDRAL>
6.35879

>  <SCORE.INTRA.DIHEDRAL.0>
8.57826

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.362

>  <SCORE.INTRA.VDW.0>
2.68134

>  <SCORE.INTRA.norm>
-0.199516

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.200484

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000491

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 53  0  0  0  0  0  0  0  0999 V2000
  218.5008  200.9606  242.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4039  199.5198  242.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8359  198.9543  242.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9416  197.5355  241.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2052  196.5791  242.4497 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.2297  195.1229  241.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4095  194.3054  243.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9055  194.5824  242.8177 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.5379  196.1170  242.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2733  196.5830  242.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1052  195.7494  243.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5675  194.3016  243.4208 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9984  194.2093  244.0874 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.1669  192.9076  244.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8859  192.3242  245.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4888  192.5080  244.8008 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6472  193.0294  243.3630 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.2554  191.8624  242.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5137  190.5260  242.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3114  190.0702  244.0492 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6694  191.1602  244.9501 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7191  190.6984  246.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1563  191.3219  244.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6903  192.4840  245.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3974  192.8240  245.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5786  192.2783  244.4543 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1885  194.0776  245.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9696  194.6776  245.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6498  195.9036  246.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5190  196.5799  247.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1348  197.7073  248.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8275  198.1530  248.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9116  197.4981  247.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3532  196.3598  246.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3791  199.2231  248.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5723  188.8550  244.0932 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3749  193.4716  242.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3507  195.2865  245.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6975  197.0832  242.3720 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.5283  198.5742  242.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6347  193.7586  241.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1574  196.5535  243.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7987  196.9151  244.7916 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4180  196.1482  243.4748 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7749  199.6001  240.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1146  199.5822  249.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0814  188.1563  243.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.9742  196.1574  244.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 45  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  6  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  1  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  6  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 46  1  0  0  0  0
 36 47  1  0  0  0  0
 39 40  1  1  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 48  1  0  0  0  0
M  END
>  <CHROM.1>
119.95108582,62.54910926,-47.13621264,178.10447148,-2.42542568,177.08937648
-3.40159733,0.21668127,179.29057100,214.06062806,194.97414501,244.20011270
0.14642175,0.36609435,0.10538858

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447510/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.44369

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.253333

>  <SCORE.INTRA>
-8.95631

>  <SCORE.INTRA.DIHEDRAL>
-18.5386

>  <SCORE.INTRA.DIHEDRAL.0>
19.3198

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.312988

>  <SCORE.INTRA.VDW.0>
-0.944446

>  <SCORE.INTRA.norm>
-0.199029

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
0.0543042

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004669

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  220.8301  186.8520  250.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3705  187.2718  250.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7990  187.0863  248.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3310  187.5058  248.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7665  187.3024  247.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2988  187.7173  247.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7418  187.5117  245.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2761  187.9289  245.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7101  187.7259  244.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2444  188.1481  244.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6447  187.9584  242.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1843  188.3912  242.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6538  188.2038  241.4304 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2822  188.6004  241.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7742  188.3883  239.9929 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.2136  189.5227  239.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5505  189.0427  238.9774 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.92809835,-179.41260136,179.91740083,179.96860799,-179.87752987,-179.97132518
179.96426153,-179.97535742,-179.90758072,179.92810071,-179.98036751,179.94574670
-121.20144806,212.72825695,187.95501315,244.53757237,-0.65890360,0.08137843
-1.49784078

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447511/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.2715

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08235

>  <SCORE.INTRA>
-0.128461

>  <SCORE.INTRA.DIHEDRAL>
-0.135618

>  <SCORE.INTRA.DIHEDRAL.0>
1.92012

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0606521

>  <SCORE.INTRA.VDW.0>
-1.90297

>  <SCORE.INTRA.norm>
-0.00755655

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
1.0748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.088844

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  196.3737  200.1013  245.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6856  199.7884  244.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7971  198.9160  243.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0783  198.6570  243.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2188  199.2666  243.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1201  200.1562  244.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8461  200.4007  245.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3499  200.8418  245.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1741  201.6360  246.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4665  200.5714  244.7239 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.6483  198.2729  242.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2909  198.2588  243.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7177  197.3796  242.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7504  196.8759  241.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9185  197.4410  241.9321 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7251  195.9731  240.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7122  195.0988  240.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9114  194.8771  240.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0387  195.2711  242.1354 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8866  194.1031  240.4159 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7752  193.3630  239.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6367  192.5560  238.9478 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6411  193.5328  238.5518 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5769  194.3281  238.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5868  194.3710  238.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6979  193.9281  240.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5603  192.9854  237.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  1  10  -1
M  END
>  <CHROM.1>
-2.56005449,-179.94113512,-147.45597601,198.04593381,197.24006738,242.23052383
1.27933817,-0.06695338,0.71007863

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447512/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.76542

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-4.63458

>  <SCORE.INTRA.DIHEDRAL>
-11.2781

>  <SCORE.INTRA.DIHEDRAL.0>
14.7426

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.00447

>  <SCORE.INTRA.VDW.0>
-0.794592

>  <SCORE.INTRA.norm>
-0.185383

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.150617

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000651

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  208.6644  206.9929  253.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9690  207.1668  251.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5522  207.2586  251.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7895  207.4191  250.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4369  207.7444  251.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5844  207.9886  249.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1233  207.9434  248.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4412  207.5538  248.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2721  207.2866  249.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3553  208.4058  247.5674 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1435  209.0135  247.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7010  209.7755  246.8927 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4135  208.7285  249.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1458  208.2969  250.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9555  209.1422  249.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1342  208.6374  247.9559 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9851  207.1899  247.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1200  206.6700  246.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9095  205.1616  246.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3465  204.8272  248.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0649  206.1697  248.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3850  209.5392  247.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7326  209.4463  246.9626 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.0537  210.5701  246.6176 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8081  211.9797  246.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7989  208.5654  246.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0089  210.3261  246.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99067377,-169.16208249,52.46767223,59.06847430,-86.70952335,-120.91261506
201.84931900,208.12052760,248.66625893,-0.23560320,-0.42175486,-0.15226249

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447513/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95744

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.44256

>  <SCORE.INTRA.DIHEDRAL>
-0.13096

>  <SCORE.INTRA.DIHEDRAL.0>
6.12964

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.97708

>  <SCORE.INTRA.VDW.0>
0.0070715

>  <SCORE.INTRA.norm>
-0.217702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.238298

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  193.6581  218.3892  259.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0322  218.0552  259.1362 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9968  217.9568  260.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5058  218.2718  257.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6230  217.2198  256.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1004  217.4142  255.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4725  218.6803  255.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3652  219.7421  256.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8793  219.5415  257.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9306  218.8084  253.8384 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2380  219.9859  253.5585 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4968  220.1841  252.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8320  221.4740  251.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9794  221.7519  250.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8022  220.7532  249.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4804  219.4618  249.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3255  219.1827  251.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3574  223.3546  249.8939 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-101.34488736,-179.70756958,179.07302419,196.73171188,219.76387675,254.15660981
-3.00134854,-1.27605654,-2.58578306

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447523/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.06898

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-4.33102

>  <SCORE.INTRA.DIHEDRAL>
-3.76904

>  <SCORE.INTRA.DIHEDRAL.0>
4.27101

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.4465

>  <SCORE.INTRA.VDW.0>
3.13736

>  <SCORE.INTRA.norm>
-0.240612

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.226054

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002901

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 53  0  0  0  0  0  0  0  0999 V2000
  201.0757  199.4352  253.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7741  199.0219  252.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1988  197.5565  252.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4924  199.4385  250.5064 Si  0  0  0  0  0  0  0  0  0  0  0  0
  201.8734  198.9553  248.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1832  197.4482  248.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5743  199.5774  247.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0807  198.0285  250.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1153  198.0829  251.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2680  197.9930  249.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0152  201.0664  250.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8300  202.1925  251.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1628  202.3434  250.1923 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2458  203.3989  250.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3377  202.8071  250.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1674  201.3330  250.9969 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8591  201.0786  250.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2098  200.6393  250.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8781  199.4260  250.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7283  198.8297  249.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9790  199.4642  248.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4079  200.6960  248.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5345  201.2648  248.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8057  198.8135  247.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0052  199.4921  247.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3257  197.5903  249.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1492  196.9471  251.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3819  197.5240  252.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7687  198.7462  251.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0143  199.3837  252.7953 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7871  198.8852  254.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1134  199.5071  254.8893 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3947  197.5721  254.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1597  197.0109  255.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7231  195.7852  255.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5267  195.1246  255.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7547  195.6839  253.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1866  196.9174  253.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1967  204.7079  250.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4491  205.8838  250.1514 Si  0  0  0  0  0  0  0  0  0  0  0  0
  206.0867  205.5915  249.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9923  204.4640  249.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7659  205.2876  247.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5512  207.6852  249.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5914  208.7896  249.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9162  207.3945  248.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9804  206.6255  252.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8197  207.0811  252.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9074  205.6803  252.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 29  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 38  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 44  1  0  0  0  0
 40 47  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
M  END
>  <CHROM.1>
173.86205442,70.41131507,67.04233043,35.10922014,58.90104766,-177.36509170
-172.08427279,139.01674866,-118.64806914,69.26507445,-73.28578934,-173.90865978
-48.55297833,204.06601572,200.86417233,250.86659343,1.58478081,-0.00902332
2.83040056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447525/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1773

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37551

>  <SCORE.INTRA>
-7.22266

>  <SCORE.INTRA.DIHEDRAL>
-3.14054

>  <SCORE.INTRA.DIHEDRAL.0>
10.0405

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.65239

>  <SCORE.INTRA.VDW.0>
-4.86814

>  <SCORE.INTRA.norm>
-0.147401

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
49

>  <SCORE.norm>
0.228109

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  221.3871  190.9703  247.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9874  190.8137  247.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2072  192.0737  247.8298 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2134  192.7467  246.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6184  192.9256  245.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3810  191.6665  245.7509 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8463  190.7836  244.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2646  191.1567  243.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7867  191.2314  243.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4298  189.9006  243.1618 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2666  189.0822  242.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0633  189.3675  240.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0714  188.5316  239.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2551  187.4082  239.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4291  187.1288  240.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4378  187.9439  241.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5064  187.5829  243.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6801  187.7721  244.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8384  188.3912  245.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1114  187.9912  246.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1597  188.5615  247.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9443  189.5546  246.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6689  189.9753  245.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6137  189.4143  244.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7717  192.9143  248.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8418  194.0488  249.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6183  193.5234  249.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0890  194.3041  250.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-164.63098464,-157.91742876,55.66317372,70.61643445,74.27687661,60.48913515
-179.40291712,221.83938903,190.23778088,244.95295928,-2.19745194,0.69256306
-1.72661554

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447526/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.65655

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-2.74345

>  <SCORE.INTRA.DIHEDRAL>
-0.547257

>  <SCORE.INTRA.DIHEDRAL.0>
2.51526

>  <SCORE.INTRA.POLAR>
0.174531

>  <SCORE.INTRA.POLAR.0>
-0.174531

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.06322

>  <SCORE.INTRA.VDW.0>
-0.0698209

>  <SCORE.INTRA.norm>
-0.101609

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.320613

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000548

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  199.5232  200.2576  243.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7310  200.9284  243.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0009  202.2697  243.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1145  202.9374  243.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9682  202.2307  244.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6858  200.8917  245.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5827  200.2445  244.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1434  202.8974  245.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4919  204.0396  245.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8149  202.1046  246.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3405  204.3778  243.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5909  202.5169  246.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-4.66304097,179.46334372,202.46879189,202.15012753,244.53973738,-2.83993553
-0.59919759,-0.37239267

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447527/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.71856

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-1.68144

>  <SCORE.INTRA.DIHEDRAL>
-5.10979

>  <SCORE.INTRA.DIHEDRAL.0>
5.151

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.873458

>  <SCORE.INTRA.VDW.0>
0.535755

>  <SCORE.INTRA.norm>
-0.152858

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.42896

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006446

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
108109  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <CHROM.1>
173.11725841,177.81320485,43.85692303,168.32506130,6.75083460,-91.11608361
71.05313972,79.45896443,-177.63709838,-16.79226125,174.95194742,159.77575941
146.05741487,-166.10994022,-2.60885050,95.37130543,-175.02785575,152.26979214
62.12800762,128.41005286,-89.69407263,-175.25364550,143.53940544,175.28773501
141.26692747,-173.30062610,-15.62014530,74.88045611,116.91022966,144.08896130
-174.42171801,-55.64351052,-79.39986076,178.42083357,76.75991230,-72.92321008
179.22881158,129.70286704,-172.48862359,-20.92574796,1.80766280,-86.43230010
-27.98182329,149.37336820,-32.66129671,-41.99845204,176.30434273,219.28823995
177.93437257,238.91468864,1.55695732,0.77736562,2.83749366

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447528/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.93864

>  <SCORE.INTER>
47.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
42

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.520879

>  <SCORE.INTRA>
-44.4614

>  <SCORE.INTRA.DIHEDRAL>
-17.5303

>  <SCORE.INTRA.DIHEDRAL.0>
56.877

>  <SCORE.INTRA.POLAR>
-3.43972

>  <SCORE.INTRA.POLAR.0>
-1.73665

>  <SCORE.INTRA.REPUL>
-0.135542

>  <SCORE.INTRA.REPUL.0>
0.137771

>  <SCORE.INTRA.VDW>
-23.3234

>  <SCORE.INTRA.VDW.0>
-7.63884

>  <SCORE.INTRA.norm>
-0.488586

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
91

>  <SCORE.norm>
0.0322927

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.560839

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  189.9388  207.1602  255.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9336  206.7775  256.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1397  205.2766  257.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1197  204.4616  256.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1548  204.8453  254.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9280  206.3416  254.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4547  203.0137  256.4659 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.3691  202.8014  256.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.5844  202.8121  257.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.4719  202.0097  255.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2285  202.0040  256.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6211  201.0541  257.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4619  201.6530  258.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4548  202.9615  257.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5157  203.1658  256.8187 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6055  204.1041  257.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8008  205.3782  257.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0886  206.4823  257.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1610  206.3274  258.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9250  205.0650  259.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6381  203.9552  259.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7814  204.8803  260.7398 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.9397  205.6942  256.1551 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
-65.23715696,-69.19814360,-117.48285342,178.81895631,186.27876449,204.53178332
257.36461728,0.06190359,0.51811185,-0.09309018

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447529/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85498

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.54502

>  <SCORE.INTRA.DIHEDRAL>
-4.12505

>  <SCORE.INTRA.DIHEDRAL.0>
4.98114

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.482494

>  <SCORE.INTRA.VDW.0>
-1.02653

>  <SCORE.INTRA.norm>
-0.121191

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.326428

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  206.8948  193.4416  252.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5546  192.3524  252.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8572  191.2088  253.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4235  190.1474  253.6079 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4007  191.3752  253.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8211  192.5772  253.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5399  193.6371  252.7999 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4815  192.4343  253.3750 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2945  191.1260  253.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4295  190.4582  253.8430 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3955  193.3480  253.0880 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.2491  193.3808  254.1056 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5545  194.6693  253.6834 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7500  195.5775  253.3396 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8617  194.7178  252.9770 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5283  196.6062  252.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0844  195.9969  251.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3766  195.1269  250.2824 P   0  0  1  0  0  0  0  0  0  0  0  0
  201.5317  193.8500  250.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0303  195.8963  248.8834 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6689  194.2569  249.5301 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9010  195.2783  249.7634 P   0  0  0  0  0  0  0  0  0  0  0  0
  205.0294  195.7319  251.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1849  194.5280  249.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7240  196.4914  248.7504 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6779  194.3674  252.6000 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6898  193.4576  255.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1161  194.5237  252.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7946  196.3444  248.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0855  194.2623  248.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4868  197.0962  248.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1387  193.9386  251.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2282  192.6801  255.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  8  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  1  0  0  0
 13 14  1  0  0  0  0
 13 26  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  6  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
M  END
>  <CHROM.1>
-141.29870121,-60.95748985,-55.53089775,-55.57754499,-72.34472793,123.12665285
126.28072607,-30.69348346,50.38915097,56.58353928,-175.79182688,203.62647854
193.97471730,251.93211502,-0.87251609,0.34989583,-0.90632661

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447530/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.774712

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-12.1747

>  <SCORE.INTRA.DIHEDRAL>
-2.46993

>  <SCORE.INTRA.DIHEDRAL.0>
11.2313

>  <SCORE.INTRA.POLAR>
-2.32212

>  <SCORE.INTRA.POLAR.0>
-0.249755

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.04453

>  <SCORE.INTRA.VDW.0>
-2.29957

>  <SCORE.INTRA.norm>
-0.450915

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
-0.028693

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021733

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  189.1081  217.4260  256.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6340  216.0569  255.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2303  215.7908  255.8929 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2935  216.9007  255.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8548  218.2343  256.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2172  218.5466  255.7045 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8543  214.7956  256.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3470  213.5808  256.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9671  212.5402  257.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0782  212.6968  258.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5763  213.8922  259.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9674  214.9244  258.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6905  214.0926  260.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2156  213.0442  261.2671 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.9777  214.2746  260.9433 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.0042  215.1864  260.9708 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.1846  218.5962  254.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
-101.83837172,-2.73127538,187.00797530,215.12915861,257.97066354,-0.96881445
1.20032882,1.65275794

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447531/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38573

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-1.01427

>  <SCORE.INTRA.DIHEDRAL>
0.00154878

>  <SCORE.INTRA.DIHEDRAL.0>
1.19677

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.01504

>  <SCORE.INTRA.VDW.0>
-0.060749

>  <SCORE.INTRA.norm>
-0.0633918

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.399108

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027759

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  212.0962  196.6275  246.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2005  195.9564  247.4892 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3175  195.4375  248.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5797  195.0671  248.8998 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2089  195.3205  247.7105 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3724  195.8608  246.8408 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2888  195.3366  249.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6389  194.7978  251.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6798  194.6211  252.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3499  195.0177  251.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0030  195.5444  250.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9540  195.6852  249.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4604  194.8559  252.8728 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2600  194.1395  252.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1580  193.8202  253.5611 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.4900  192.5379  253.6203 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5928  193.9747  253.6971 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5106  194.8576  254.7587 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1451  196.1243  254.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7867  196.4206  256.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4147  197.6531  256.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3895  198.5950  255.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7254  198.3164  254.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0956  197.0694  253.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6869  199.3260  252.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4705  198.7730  251.7146 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.7010  200.2507  253.1092 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.8454  200.0328  252.8311 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.5065  194.9298  254.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-178.44027315,-111.47947702,-126.67956966,-71.32299158,-115.46847705,156.83643131
212.28808307,196.11732557,252.00421942,-1.20231982,1.14458401,1.05883981

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447532/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.33672

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-6.06328

>  <SCORE.INTRA.DIHEDRAL>
-2.19177

>  <SCORE.INTRA.DIHEDRAL.0>
7.80387

>  <SCORE.INTRA.POLAR>
-0.622866

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.84965

>  <SCORE.INTRA.VDW.0>
-0.484407

>  <SCORE.INTRA.norm>
-0.216546

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.190597

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000428

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 61 66  0  0  0  0  0  0  0  0999 V2000
  214.8660  183.4754  248.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8209  183.2463  247.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0578  184.3187  246.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3390  185.6390  247.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3967  185.8517  248.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1553  184.7770  248.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5291  186.7458  246.7686 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2121  187.8112  246.2642 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8673  187.5790  245.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0109  186.3926  244.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2173  185.7695  244.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2833  186.3758  245.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2136  187.7420  245.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0399  188.4617  244.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9927  189.5135  244.2944 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2518  188.3734  246.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1087  189.1161  247.2117 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5204  187.6947  245.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3185  187.8643  244.8480 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0902  188.8009  243.9134 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3670  188.2111  242.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8092  187.0011  242.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9571  186.2432  241.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6491  186.6734  241.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3032  187.9848  241.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1643  188.7524  242.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6644  185.7148  240.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7313  184.3374  240.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7928  183.4614  240.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7574  183.9334  239.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6984  185.3033  239.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6381  186.1730  239.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8411  183.0046  239.0221 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9699  183.5672  238.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9537  182.6875  237.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3004  181.3565  237.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3446  180.5274  236.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0158  180.9361  236.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6762  182.2447  237.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6305  183.1094  237.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1087  180.1396  236.0978 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6440  180.9174  237.6275 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5327  186.3879  246.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4379  185.6795  246.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0252  186.0144  247.1935 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.5044  187.1225  247.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0039  184.6683  247.7507 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0532  185.8938  245.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0473  186.3927  242.9160 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.3073  187.5424  242.0986 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9905  185.0581  242.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5801  186.6045  243.5739 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8812  186.9621  247.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1090  189.2817  247.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.9088  189.3076  243.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4660  179.7971  235.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6830  179.4061  236.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2235  181.5665  238.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7443  179.9574  237.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.7657  186.5932  245.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6633  186.5989  244.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 12 44  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  2  0  0  0  0
 41 56  1  0  0  0  0
 41 57  1  0  0  0  0
 42 58  1  0  0  0  0
 42 59  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 48 60  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  2  0  0  0  0
 49 52  1  0  0  0  0
 52 61  1  0  0  0  0
M  END
>  <CHROM.1>
-131.36785309,62.86085625,56.95253593,-93.07558772,-47.91890164,25.89484457
179.57356180,-35.40619772,15.88821715,-46.59836214,46.63365835,37.05996839
-4.28192031,214.99906693,185.60041440,243.22159646,0.87038923,0.37365134
1.37411299

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447533/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.894444

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315385

>  <SCORE.INTRA>
-15.5056

>  <SCORE.INTRA.DIHEDRAL>
-1.65053

>  <SCORE.INTRA.DIHEDRAL.0>
10.2891

>  <SCORE.INTRA.POLAR>
-2.01634

>  <SCORE.INTRA.POLAR.0>
-0.0090764

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.82475

>  <SCORE.INTRA.VDW.0>
-2.96448

>  <SCORE.INTRA.norm>
-0.298184

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.0172009

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.152356

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  222.8973  181.3807  247.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5695  180.0696  246.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7989  179.3798  246.1695 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.3855  178.0039  245.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7381  176.9604  246.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5471  178.0719  244.5093 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.0849  176.9253  243.9563 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4089  177.0370  242.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8295  175.8364  242.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0343  174.5760  242.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5158  173.4464  242.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7848  173.5703  240.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5901  174.8357  240.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1076  175.9648  241.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3490  172.3998  240.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1938  172.5099  239.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8602  171.1319  239.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3572  180.2829  245.1327 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6033  180.1053  244.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6952  179.3058  243.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9275  179.0501  242.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0949  179.6172  243.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0136  180.4549  244.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7736  180.7272  244.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2514  179.2677  242.6449 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.1112  180.3521  242.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4439  178.9568  244.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.6721  180.7262  244.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
174.14861339,-108.35799402,167.45413720,-173.90472256,-1.44700990,155.27243071
179.32621380,88.69400703,131.99495794,223.25533065,177.34789949,243.29468882
0.72875403,0.38212609,0.90730771

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447534/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.8743

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-1.52568

>  <SCORE.INTRA.DIHEDRAL>
0.721848

>  <SCORE.INTRA.DIHEDRAL.0>
4.87055

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.8866

>  <SCORE.INTRA.VDW.0>
1.85172

>  <SCORE.INTRA.norm>
-0.0586799

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.495166

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  207.2916  204.7661  248.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1708  204.8673  250.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5480  205.9835  250.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3966  205.4602  251.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5245  204.1366  251.7852 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7650  203.7897  250.7308 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6381  202.3779  250.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1260  207.4139  250.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7019  207.5303  250.4459 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3378  208.1422  249.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7855  206.8904  251.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1650  206.3602  252.3492 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3484  206.8721  250.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8082  207.8016  250.1169 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4806  207.5724  250.1031 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4776  208.3588  249.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1969  207.9544  249.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9312  206.6493  250.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8724  205.9320  250.8795 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1607  206.3918  250.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3556  205.9337  251.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5874  204.4119  252.3621 Br  0  0  0  0  0  0  0  0  0  0  0  0
  198.5561  206.1767  250.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4142  206.7913  249.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2304  206.0390  250.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4978  204.8874  250.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1624  204.7167  251.2354 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.8239  209.6580  248.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7984  210.3866  248.4282 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.4774  210.4605  249.8083 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.6871  209.4667  247.8892 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
39.92188777,-117.03594826,-24.54353044,-178.86847515,0.11417863,203.40055276
206.33034982,250.63232482,-0.19697972,0.00727976,-0.46624337

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447535/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.24737

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-2.15263

>  <SCORE.INTRA.DIHEDRAL>
-4.3956

>  <SCORE.INTRA.DIHEDRAL.0>
9.69105

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0451664

>  <SCORE.INTRA.VDW.0>
-2.23117

>  <SCORE.INTRA.norm>
-0.0694398

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.266044

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000694

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  216.4330  196.1409  245.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1585  196.5924  247.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9701  195.6915  248.4535 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.8315  196.2581  249.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4963  195.6078  248.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8153  196.9282  249.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5053  194.3407  248.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4339  193.1528  249.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9328  193.0535  250.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9808  191.7402  251.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3817  194.0228  251.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0004  191.9503  248.6241 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4720  191.8804  247.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0309  194.0389  252.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
175.87242417,-62.73054023,-178.62620006,-0.43691604,0.01316678,-179.07886880
216.94521573,194.42619766,248.89618377,-2.08527614,-1.04173208,2.25221950

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447536/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.38082

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-2.01918

>  <SCORE.INTRA.DIHEDRAL>
-0.166063

>  <SCORE.INTRA.DIHEDRAL.0>
0.490838

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.93615

>  <SCORE.INTRA.VDW.0>
6.53959

>  <SCORE.INTRA.norm>
-0.155322

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.644678

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039926

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  204.5762  196.2795  251.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5352  197.7965  251.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6930  198.4058  250.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5873  198.6856  249.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6555  199.2628  248.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8294  199.5866  249.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9381  199.3409  250.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8746  198.7361  251.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8895  200.1402  248.8130 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9113  200.2759  247.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8844  200.7854  246.9000 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7248  199.7626  246.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6218  199.4384  247.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0083  199.6757  245.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0155  199.2929  244.0904 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7171  197.8286  244.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8168  197.4278  245.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5117  197.6110  245.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0910  197.0083  246.5588 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1004  196.4296  247.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1850  196.6571  246.4185 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3730  195.8441  246.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4057  196.3984  247.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5361  197.0427  247.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5517  197.5383  247.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4659  197.3838  249.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3745  196.7139  249.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3568  196.2142  248.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7753  200.0910  244.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9344  201.6245  244.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5201  202.1230  243.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8930  201.0875  242.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7621  199.8268  242.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7097  200.4663  249.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
87.44960030,-175.76213406,-71.07727465,75.79077592,50.73888179,73.94234215
105.46196793,-99.15845377,206.88784964,198.56864130,247.25543081,1.25875063
0.19429967,1.99807438

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447537/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.91994

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-7.48006

>  <SCORE.INTRA.DIHEDRAL>
-0.945196

>  <SCORE.INTRA.DIHEDRAL.0>
6.21841

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.00746

>  <SCORE.INTRA.VDW.0>
-1.8225

>  <SCORE.INTRA.norm>
-0.226669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.179392

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  205.8618  212.6606  254.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8555  211.5190  253.9918 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5477  210.1419  253.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6249  208.9850  253.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0162  208.8447  252.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1460  207.7829  252.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8751  206.8625  253.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4745  206.9963  254.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3481  208.0543  254.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8608  211.6296  255.0708 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6174  210.9013  254.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7494  210.8478  256.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3885  210.0031  257.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7129  210.5422  257.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7925  211.7667  258.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0364  212.2844  258.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2006  211.5783  258.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1277  210.3457  257.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8886  209.8257  257.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6597  212.6202  255.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-176.84617757,162.33146328,66.30393867,169.48606351,-66.92500407,61.42204554
66.52593904,204.15739691,210.12812966,255.46984777,-1.22948555,-0.88697531
-1.94750394

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447546/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.68285

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-2.71715

>  <SCORE.INTRA.DIHEDRAL>
0.891555

>  <SCORE.INTRA.DIHEDRAL.0>
1.48812

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.16293

>  <SCORE.INTRA.VDW.0>
0.585543

>  <SCORE.INTRA.norm>
-0.143008

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.509623

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014285

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  210.8104  185.0722  238.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1256  185.6264  238.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9076  185.4214  239.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3449  186.5910  240.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1587  186.3781  241.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5258  185.1102  241.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1433  184.0187  241.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3443  184.1106  239.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1210  182.8218  239.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6663  181.6329  239.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3192  180.5430  238.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2850  180.6590  237.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6141  179.4629  236.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7536  178.4157  238.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9319  179.1422  239.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7707  181.7745  236.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2428  182.8166  237.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6063  182.8337  241.4892 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.6783  187.4965  242.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3982  187.3163  243.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3226  188.8655  241.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5321  188.9884  240.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0524  187.9669  239.9336 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0539  188.3875  238.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1588  189.7204  238.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3443  188.4545  237.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7631  190.0677  242.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4704  190.0230  243.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3218  191.2377  242.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6358  177.9414  237.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.6184  192.0364  242.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
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 24 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
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M  END
>  <CHROM.1>
-118.13811976,-132.53694251,0.10181078,-154.33595283,179.79229371,213.25051025
185.24907720,239.94932877,1.95096598,1.00748176,-3.11081772

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447547/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.64156

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-1.75844

>  <SCORE.INTRA.DIHEDRAL>
1.14681

>  <SCORE.INTRA.DIHEDRAL.0>
7.44346

>  <SCORE.INTRA.POLAR>
0.0200796

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.40011

>  <SCORE.INTRA.VDW.0>
1.04933

>  <SCORE.INTRA.norm>
-0.0606358

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.263502

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  206.7051  196.8566  245.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1667  196.7212  246.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0642  197.7205  245.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4304  197.5952  245.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9268  196.4772  246.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0260  195.4754  247.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6594  195.5976  246.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3764  196.3730  246.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9923  195.3531  247.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
-178.70612142,209.90512779,196.45821401,246.50230152,2.85705693,-0.13053116
-0.48266391

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447548/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.9654

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-1.4346

>  <SCORE.INTRA.DIHEDRAL>
-3.26835

>  <SCORE.INTRA.DIHEDRAL.0>
3.27726

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.199575

>  <SCORE.INTRA.VDW.0>
0.129484

>  <SCORE.INTRA.norm>
-0.1594

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.551711

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028433

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 64 66  0  0  0  0  0  0  0  0999 V2000
  199.7044  193.9127  239.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3082  193.0809  240.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7310  193.4997  240.6293 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2185  192.7534  241.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7142  193.3793  239.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5875  192.5977  238.5332 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1007  194.4841  239.5902 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.4768  193.2833  239.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8298  194.0021  239.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1443  194.7805  240.6101 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5911  194.1933  241.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7666  192.9835  241.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8559  195.1639  242.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9209  194.8705  244.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4778  194.9556  243.8413 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8439  196.1996  243.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4593  197.2428  243.9715 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2948  196.1450  243.4485 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3536  197.4153  243.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9089  197.0247  243.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3676  197.7335  245.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8629  198.6819  242.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3426  198.5525  241.4651 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8965  199.8346  240.6013 P   0  0  1  0  0  0  0  0  0  0  0  0
  202.7925  200.6742  240.0378 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6610  200.6012  241.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1152  199.5251  239.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4600  198.4834  239.8605 P   0  0  1  0  0  0  0  0  0  0  0  0
  206.7972  199.2865  241.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4417  197.3171  240.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8048  197.4417  240.1755 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9823  197.8333  239.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1711  196.9922  239.9473 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6361  197.2935  241.3750 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.3286  195.9950  241.7669 C   0  0  1  0  0  0  0  0  0  0  0  0
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  211.2332  193.8172  240.4354 N   0  0  0  0  0  0  0  0  0  0  0  0
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  211.9940  191.7379  240.1833 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5300  192.5552  239.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4426  192.3338  238.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7427  193.3598  237.3335 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1857  194.5636  237.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3360  194.9091  238.5638 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0383  193.8463  239.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
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  212.7151  196.0744  241.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
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  210.0890  196.9005  244.6313 O   0  0  0  0  0  0  0  0  0  0  0  0
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  210.4812  199.2297  243.6593 O   0  0  0  0  0  0  0  0  0  0  0  0
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  204.9713  194.1488  243.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9408  201.5049  241.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
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  213.8495  190.7150  237.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0174  191.0992  238.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
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  207.4667  197.8885  243.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3938  198.9902  243.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  5  1  0  0  0  0
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  5  7  1  0  0  0  0
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 45 46  2  0  0  0  0
 47 59  1  0  0  0  0
 47 60  1  0  0  0  0
 48 61  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 50 53  1  0  0  0  0
 52 62  1  0  0  0  0
 53 63  1  0  0  0  0
 54 64  1  0  0  0  0
M  END
>  <CHROM.1>
172.86635910,-26.60203249,125.62673291,175.46139636,62.30179892,77.96900351
117.02902291,-59.18525018,-78.89374915,162.77386858,-177.63212278,-57.55718593
38.45367176,-177.78930226,-79.29161064,-168.61459033,-40.75924522,-55.29901591
-51.87199728,-167.20099496,172.49840113,-70.29795381,-178.32877527,177.04869804
107.25821596,119.15013353,-67.26976011,67.68351444,-71.03316805,207.02669586
196.01341087,241.12153639,2.82319731,0.03808966,0.47977811

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447549/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.133144

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525926

>  <SCORE.INTRA>
-28.5331

>  <SCORE.INTRA.DIHEDRAL>
-11.3039

>  <SCORE.INTRA.DIHEDRAL.0>
31.4682

>  <SCORE.INTRA.POLAR>
-3.81092

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0.00542805

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.95117

>  <SCORE.INTRA.VDW.0>
-6.38172

>  <SCORE.INTRA.norm>
-0.528392

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
-0.00246563

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  218.7470  196.5553  244.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9459  196.3741  243.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5230  195.3469  242.5617 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9656  194.3304  243.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9047  194.3715  244.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4023  195.4929  245.3726 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3402  193.2935  245.4639 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7474  192.1585  244.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8560  191.9976  243.5810 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.5427  193.0633  242.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6941  193.0055  241.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0369  191.1464  245.7090 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3972  197.4894  242.2131 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.4763  198.3704  241.5435 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.4814  197.5894  240.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7905  196.7399  239.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7074  195.9378  238.7340 P   0  0  0  0  0  0  0  0  0  0  0  0
  221.4732  196.7799  237.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5695  195.0393  239.7286 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7036  194.8873  238.0876 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7991  199.3328  240.7069 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4947  196.9660  241.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1344  195.3871  246.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.0975  193.2678  246.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.6458  190.4324  245.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.1809  190.7283  246.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.9688  194.4736  240.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.2193  194.3752  238.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2447  199.8817  241.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.9962  196.4392  240.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  6  0  0  0
 14 15  1  6  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
M  END
>  <CHROM.1>
108.90819634,-158.73164801,57.43084846,-69.65830392,50.56658769,62.15443145
175.77471798,-63.41501477,59.62062526,-51.61951068,219.97246373,195.35135758
241.89492101,1.45601406,-1.07812486,2.10689363

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447550/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.48713

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-9.91287

>  <SCORE.INTRA.DIHEDRAL>
-2.54358

>  <SCORE.INTRA.DIHEDRAL.0>
5.5895

>  <SCORE.INTRA.POLAR>
-1.61291

>  <SCORE.INTRA.POLAR.0>
-0.00202543

>  <SCORE.INTRA.REPUL>
-0.241164

>  <SCORE.INTRA.REPUL.0>
0.241164

>  <SCORE.INTRA.VDW>
-1.95137

>  <SCORE.INTRA.VDW.0>
-1.17092

>  <SCORE.INTRA.norm>
-0.450585

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.0675969

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005270

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  193.6601  214.4162  255.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1849  213.3437  256.7982 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3037  213.9496  257.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6649  214.0327  259.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0751  214.3428  257.3604 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1242  214.9556  258.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7772  214.7742  257.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7719  215.3701  258.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4063  215.2081  258.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4267  215.8009  259.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7978  216.5591  260.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1481  216.7346  260.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1425  216.1525  259.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5007  216.3431  260.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4888  215.7634  259.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4631  212.3654  256.0442 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1813  211.6751  256.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
-110.35942691,178.87890585,-178.58323759,-150.92577023,189.83265591,214.92509686
258.37537410,0.53953138,0.08364435,-2.16936428

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447551/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.84751

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-2.55249

>  <SCORE.INTRA.DIHEDRAL>
-4.42551

>  <SCORE.INTRA.DIHEDRAL.0>
6.62061

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.339738

>  <SCORE.INTRA.VDW.0>
0.12087

>  <SCORE.INTRA.norm>
-0.159531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.365469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038398

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  223.0074  199.6439  253.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7096  198.9135  254.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9904  199.6449  255.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7935  199.0858  255.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4355  199.2236  256.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2465  198.6618  257.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3749  197.9698  256.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7109  197.8931  255.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9126  198.4422  254.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1852  197.4308  256.9767 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9944  196.1192  257.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8642  195.1590  257.4574 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2345  195.2783  257.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8431  194.9399  255.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2063  195.1882  255.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9918  195.7312  256.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4258  195.9494  258.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0550  195.7289  258.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3041  195.9637  256.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8534  197.1618  257.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3053  197.2699  256.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6086  195.7579  257.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6880  198.1197  257.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-179.75194814,144.64809617,-98.61791188,8.72746299,-96.55043156,141.95781989
179.78062165,219.52817908,197.17398567,256.35952008,0.41139154,0.09409867
-0.53850886

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447552/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.67003

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-2.72997

>  <SCORE.INTRA.DIHEDRAL>
3.76275

>  <SCORE.INTRA.DIHEDRAL.0>
7.12192

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.61135

>  <SCORE.INTRA.VDW.0>
0.919943

>  <SCORE.INTRA.norm>
-0.124089

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.439547

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  197.7476  207.4726  247.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0819  206.3710  248.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4902  206.1061  248.3204 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8994  205.1345  249.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1568  204.5261  249.9355 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2487  204.9742  249.0531 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9931  204.0414  249.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3358  203.0087  250.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0478  202.0554  251.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4333  202.1288  251.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0773  203.1549  250.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3788  204.1049  249.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3540  205.0684  249.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2174  206.2068  248.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3556  206.9677  248.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6159  206.6010  248.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7631  205.4652  249.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6320  204.7124  249.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5559  203.4705  250.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7204  205.7100  248.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
179.76299620,-0.15068391,14.29691477,202.50501877,204.86800138,249.45445276
-2.90592844,0.05186143,2.56223272

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447553/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.74459

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-2.65541

>  <SCORE.INTRA.DIHEDRAL>
-6.10273

>  <SCORE.INTRA.DIHEDRAL.0>
6.48434

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.395957

>  <SCORE.INTRA.VDW.0>
0.956118

>  <SCORE.INTRA.norm>
-0.139758

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.302347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004300

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 72 75  0  0  0  0  0  0  0  0999 V2000
  214.4854  185.3314  248.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3264  186.4716  248.2985 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.5545  185.2516  250.1238 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.8970  184.9141  251.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7335  184.5989  253.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6904  185.2949  254.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8391  186.5738  253.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0568  186.9594  252.6996 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9570  187.2843  251.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2306  187.2553  252.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1525  186.8921  253.5571 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5931  187.3709  250.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4621  187.4881  249.2048 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7060  187.1924  248.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3953  187.1983  248.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3032  187.1871  249.7441 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1088  186.5480  246.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0982  187.3244  245.6619 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5183  186.5494  244.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7332  185.2482  245.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3972  185.1955  246.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8386  187.2499  243.4158 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0422  188.1133  243.7563 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9729  187.6012  242.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7044  186.6350  243.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0139  187.6667  241.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0543  188.4858  240.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8841  187.8424  239.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8987  188.9047  239.1893 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.5605  188.7467  241.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0145  188.7580  243.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3921  189.8718  243.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7983  187.7730  244.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5286  187.7325  246.4677 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.6466  189.4289  245.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2371  190.8261  244.3203 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.8270  191.5173  242.8814 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.8358  191.6663  242.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6974  192.1744  241.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7634  192.8572  239.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3771  192.9591  237.1084 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.6303  191.6050  236.3002 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.1443  191.4953  236.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2714  190.0984  236.7436 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.5552  189.5206  238.1469 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.8415  188.2598  238.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1165  189.4319  238.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8313  189.9622  239.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1041  190.5451  239.1508 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.3103  191.9224  239.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0727  190.1206  238.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6819  189.0524  238.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9112  189.7188  236.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6786  189.6400  234.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5218  189.8547  234.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2571  189.2805  234.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7890  193.2924  236.5126 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5734  192.5936  236.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5184  191.5374  237.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2249  193.1117  235.9420 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.3140  193.1221  234.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0236  192.4417  236.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6473  192.8045  237.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2718  192.7326  244.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0916  194.2079  243.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6370  188.8286  237.8949 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8415  189.3779  244.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0823  186.2742  242.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8808  185.7963  241.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5463  183.5494  251.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4568  181.7424  251.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2932  189.5233  237.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 70  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 68  1  6  0  0  0
 23 24  1  0  0  0  0
 23 67  1  6  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 66  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 36 35  1  6  0  0  0
 36 37  1  0  0  0  0
 36 64  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 41 40  1  1  0  0  0
 41 42  1  0  0  0  0
 41 57  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 53  1  1  0  0  0
 45 46  1  6  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
 60 61  1  6  0  0  0
 60 62  1  0  0  0  0
 62 63  1  0  0  0  0
 64 65  1  0  0  0  0
 66 72  1  0  0  0  0
 68 69  1  0  0  0  0
 70 71  1  0  0  0  0
M  END
>  <CHROM.1>
3.64715224,80.72542204,172.75493156,102.37429494,64.03147385,-97.88288711
-115.22880863,10.55749516,-49.48212445,-53.71050796,-77.88956215,-59.50558009
-45.18967227,162.31367929,64.74551965,126.72169956,122.51291623,-68.86776586
0.43125638,-3.10285914,60.45425411,70.84217914,217.88292037,188.80285500
242.96380053,-2.13853871,-0.22140849,-1.33404747

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447562/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-24.6357

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371831

>  <SCORE.INTRA>
-51.0357

>  <SCORE.INTRA.DIHEDRAL>
-11.3296

>  <SCORE.INTRA.DIHEDRAL.0>
39.4896

>  <SCORE.INTRA.POLAR>
-1.59068

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-39.9625

>  <SCORE.INTRA.VDW.0>
31.3147

>  <SCORE.INTRA.norm>
-0.718812

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
71

>  <SCORE.norm>
-0.346981

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031979

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 58 59  0  0  0  0  0  0  0  0999 V2000
  211.5424  183.0278  250.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1642  181.5547  250.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8038  181.3045  251.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1357  181.0873  249.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9644  179.5729  249.0005 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2765  179.1353  247.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4282  178.6831  246.7868 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5860  179.3474  247.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8910  180.2506  246.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9948  179.7019  245.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1453  178.5012  244.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7444  180.6612  244.4479 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6702  180.2651  243.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8479  181.1668  243.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5165  181.1038  242.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1537  182.0509  244.0423 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8712  178.8680  249.9077 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6462  177.5599  250.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6815  176.9196  249.8553 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7502  176.9609  251.1680 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.2260  175.6049  250.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7546  175.5521  249.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3963  174.4354  248.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8915  174.4630  247.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7612  175.6147  246.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1538  176.7415  247.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6612  176.7088  248.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2192  175.6849  245.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8512  177.9705  251.2535 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8345  179.0605  252.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9936  179.1401  253.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0425  180.0671  251.9615 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.8290  181.3352  252.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0774  182.1672  252.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3936  181.8360  251.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5348  180.7084  250.7180 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1945  180.3715  249.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2626  179.6004  249.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0385  181.0279  248.2362 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4317  179.9666  247.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2459  178.7108  247.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7318  177.3999  246.3809 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.7115  178.3170  245.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4393  182.2134  247.6259 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2003  183.0862  246.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4233  183.0472  246.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3922  184.1978  246.1632 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.9997  185.2784  247.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1578  184.7801  245.0391 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2996  179.2083  247.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5466  181.6406  244.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.9178  182.6245  243.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8418  179.1844  249.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.9453  176.5316  244.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.3406  178.1338  250.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.4328  182.3518  247.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5184  185.3594  244.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4280  184.0196  244.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  2  0  0  0  0
 32 30  1  6  0  0  0
 32 36  1  0  0  0  0
 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 44  1  0  0  0  0
 40 41  1  0  0  0  0
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 44 56  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  1  0  0  0
 47 49  1  0  0  0  0
 49 57  1  0  0  0  0
 49 58  1  0  0  0  0
M  END
>  <CHROM.1>
171.43970296,-166.42920474,-114.05528319,158.11016041,-117.74404825,-138.88369258
32.56449616,-154.80969397,-164.11119540,178.18004229,0.10564618,-128.72155857
56.61508818,82.39800732,169.49882007,173.83777653,10.29339333,171.07596484
134.55337181,-57.62760632,162.44649419,179.10403664,59.05236377,76.11323077
168.04974391,214.44421194,179.64773123,248.01866215,3.05871912,-1.00361011
-2.86694641

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447563/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.61534

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.579592

>  <SCORE.INTRA>
-20.7847

>  <SCORE.INTRA.DIHEDRAL>
-1.64682

>  <SCORE.INTRA.DIHEDRAL.0>
19.0462

>  <SCORE.INTRA.POLAR>
-4.07089

>  <SCORE.INTRA.POLAR.0>
-0.152588

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.12023

>  <SCORE.INTRA.VDW.0>
-9.70108

>  <SCORE.INTRA.norm>
-0.424177

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
49

>  <SCORE.norm>
0.155415

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029501

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  207.0403  189.1812  240.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4960  189.6722  241.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5836  190.7365  241.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0748  191.2103  243.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4377  190.5805  244.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3568  189.5304  244.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8871  189.0812  243.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1571  192.2332  242.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0339  193.1271  244.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8751  193.7667  244.0599 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7381  194.5864  245.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6708  194.8388  246.0053 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7887  194.1378  245.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0436  193.2901  244.8619 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8108  194.2666  246.7807 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5893  195.0568  247.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7355  194.6148  249.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4989  195.4892  250.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1560  196.8176  250.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0562  197.2853  248.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2787  196.3953  247.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7133  198.7177  248.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5371  195.2540  245.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4384  196.1188  246.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1481  197.4798  246.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0879  198.2846  247.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2722  197.7248  248.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5004  196.3510  248.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5732  195.5507  247.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6657  195.7375  250.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-152.49875736,-158.04737375,-178.54092959,4.20676715,124.66129714,120.32089347
204.13901070,194.23421072,246.01155376,1.19758267,0.49780916,-2.22227105

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447564/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.6552

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-0.744815

>  <SCORE.INTRA.DIHEDRAL>
0.724526

>  <SCORE.INTRA.DIHEDRAL.0>
8.28118

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.10708

>  <SCORE.INTRA.VDW.0>
-0.908922

>  <SCORE.INTRA.norm>
-0.0248272

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.355173

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000407

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 33  0  0  0  0  0  0  0  0999 V2000
  207.9515  184.3277  248.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8039  184.2209  247.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7825  185.0255  246.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6962  184.9691  245.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7086  185.8018  244.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6622  185.7603  243.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5814  184.9186  243.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5729  184.0707  244.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6207  184.0711  245.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6880  183.2311  247.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7287  183.2934  247.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5285  182.4162  248.9424 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3665  181.7450  248.6721 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8808  182.2198  247.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4549  181.5667  246.8136 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.1897  182.6880  247.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1915  184.0814  246.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6185  184.3228  245.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8556  185.0945  247.5501 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6940  186.4786  247.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9763  187.0963  246.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9273  187.6099  247.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4537  186.5273  248.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3659  185.9353  249.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5694  184.8082  248.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4666  184.8788  243.1099 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6470  185.4499  241.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6239  186.6182  241.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7866  186.5496  242.5664 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 29  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-87.75710446,74.12835199,83.55979251,203.80342199,184.57044864,246.34923302
-1.36731954,-0.34106496,-1.06022689

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447565/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.37617

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.289655

>  <SCORE.INTRA>
-5.02383

>  <SCORE.INTRA.DIHEDRAL>
1.20404

>  <SCORE.INTRA.DIHEDRAL.0>
4.46789

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.62585

>  <SCORE.INTRA.VDW.0>
-1.57085

>  <SCORE.INTRA.norm>
-0.173235

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.11642

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000012

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  208.4265  195.0431  250.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8463  196.5147  249.4742 Si  0  0  0  0  0  0  0  0  0  0  0  0
  210.6218  196.5558  248.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7084  196.6587  247.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2260  196.8908  248.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0550  198.1558  249.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7504  198.0057  250.3855 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7448  199.1603  251.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2398  199.4440  251.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5350  200.5008  250.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2060  200.7946  251.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5221  200.0077  252.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1598  198.9119  252.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4958  198.6200  252.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6224  198.7450  252.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3523  199.2083  253.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2138  198.9160  254.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3803  198.1908  254.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6838  197.7394  253.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8099  198.0040  252.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5021  200.3693  250.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3921  200.1782  249.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0335  201.2593  248.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8092  202.5530  249.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9869  202.7619  250.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3742  201.6774  251.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
63.42729331,57.57494692,-61.37633769,177.02084968,60.44250820,-102.34528709
-147.02125358,-18.19362708,207.20095055,198.86342510,251.01117128,-0.31877150
-0.66840171,1.65833014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447566/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.1703

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-1.2297

>  <SCORE.INTRA.DIHEDRAL>
-0.0614309

>  <SCORE.INTRA.DIHEDRAL.0>
2.67428

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.19899

>  <SCORE.INTRA.VDW.0>
-2.91173

>  <SCORE.INTRA.norm>
-0.0472963

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.468088

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.059793

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  205.9662  190.3968  245.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4462  189.0924  245.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0933  188.3120  244.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1595  188.8034  243.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5629  190.0645  243.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0476  190.8964  244.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6017  192.9503  244.8105 I   0  0  0  0  0  0  0  0  0  0  0  0
  203.5618  190.3763  242.6504 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4397  191.0575  243.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8549  190.9304  244.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8529  191.8332  244.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3769  192.7928  243.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8773  192.8183  242.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9063  191.9479  242.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1817  194.1742  241.0694 I   0  0  0  0  0  0  0  0  0  0  0  0
  199.4500  193.7213  244.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1610  191.7695  246.6816 I   0  0  0  0  0  0  0  0  0  0  0  0
  204.7434  187.5636  241.7256 I   0  0  0  0  0  0  0  0  0  0  0  0
  207.2988  188.5065  246.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4770  187.7186  247.5371 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3866  188.6633  248.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2861  188.7636  247.5717 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7455  189.2159  249.2752 O   0  5  0  0  0  0  0  0  0  0  0  0
  205.8102  186.5612  246.8498 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8929  193.3287  244.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3565  186.0467  247.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5651  185.9060  246.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 25  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  CHG  1  23  -1
M  END
>  <CHROM.1>
93.79857318,141.30816314,-33.28727987,-29.88053810,-59.04465191,86.30576019
175.11382073,202.96083065,191.08543637,244.09749289,0.22952362,-0.79424420
1.52219624

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447567/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2686

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-1.13136

>  <SCORE.INTRA.DIHEDRAL>
0.515318

>  <SCORE.INTRA.DIHEDRAL.0>
6.00551

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.38902

>  <SCORE.INTRA.VDW.0>
-2.66042

>  <SCORE.INTRA.norm>
-0.0471402

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.42786

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001052

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  220.2752  178.3343  238.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4999  177.5589  239.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8964  178.1374  241.0281 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0345  179.5058  241.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8477  180.3397  240.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4597  179.8129  238.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2558  180.4952  237.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5218  180.0276  242.6409 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.4881  178.3231  243.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1527  177.4517  242.1944 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8853  177.7993  244.7643 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.6293  177.4369  245.3827 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9931  176.8797  244.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4677  179.1366  245.6188 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3461  176.1895  239.7925 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7581  179.8530  245.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.3590  179.4784  245.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.5543  175.8135  240.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.93988179,106.00946768,66.44952547,221.22094666,178.52159424,242.07851860
2.61763213,-1.28278987,-0.34300275

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447568/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29212

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-1.10788

>  <SCORE.INTRA.DIHEDRAL>
-0.0021833

>  <SCORE.INTRA.DIHEDRAL.0>
1.30417

>  <SCORE.INTRA.POLAR>
-0.157028

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.572899

>  <SCORE.INTRA.VDW.0>
-0.52449

>  <SCORE.INTRA.norm>
-0.073859

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.419474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034291

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  218.0875  193.1239  247.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2279  192.3405  247.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1851  191.0716  248.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0139  190.5553  248.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8466  191.3569  248.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9017  192.6220  248.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6162  190.8924  249.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5068  189.6540  249.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6384  188.8736  250.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8815  189.3170  249.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9221  188.4734  250.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3993  189.2540  250.5066 P   0  0  0  0  0  0  0  0  0  0  0  0
  219.8569  189.6433  251.8833 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1052  187.8079  250.7737 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8764  190.0345  250.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4163  187.1868  251.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.6838  190.9823  250.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
36.20579261,76.71786022,-31.11220895,88.66840017,218.70735660,190.16431770
249.71456832,-2.40871117,0.10235219,2.54346519

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447569/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.11586

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-1.28414

>  <SCORE.INTRA.DIHEDRAL>
-1.67283

>  <SCORE.INTRA.DIHEDRAL.0>
5.387

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.44772

>  <SCORE.INTRA.VDW.0>
-0.619921

>  <SCORE.INTRA.norm>
-0.0856091

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.407724

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.200828

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  197.0948  227.5279  248.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9829  226.5992  249.1747 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4187  225.9539  248.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1360  225.3667  248.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5410  224.7309  247.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2355  224.6570  245.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5129  225.2120  245.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0939  225.8448  246.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6267  223.9832  244.6520 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.4964  223.4989  244.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2826  223.9405  243.6005 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.4997  226.3441  250.4222 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2462  225.1518  250.6233 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
>  <CHROM.1>
-161.50493172,-138.31823528,194.84517493,225.26948234,247.19873542,-1.09157447
-0.62071675,-1.71733263

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447570/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.13966

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.260338

>  <SCORE.INTRA.DIHEDRAL>
1.84038

>  <SCORE.INTRA.DIHEDRAL.0>
2.34741

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.18053

>  <SCORE.INTRA.VDW.0>
3.14332

>  <SCORE.INTRA.norm>
-0.020026

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.549205

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003404

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  210.9355  189.3376  246.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2095  188.7661  247.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9749  189.5668  247.6814 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.2480  188.8988  248.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3460  190.9500  248.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6417  192.0844  248.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0639  189.6274  246.5801 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3180  190.1892  246.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  3  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
176.78124342,102.34763722,-175.70171103,209.30867144,189.83442382,247.47611967
-0.91109089,0.59806509,0.42979935

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447571/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.28555

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-1.11445

>  <SCORE.INTRA.DIHEDRAL>
0.0622311

>  <SCORE.INTRA.DIHEDRAL.0>
0.0267601

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14557

>  <SCORE.INTRA.VDW.0>
1.83834

>  <SCORE.INTRA.norm>
-0.159208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.897935

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002567

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  199.1747  222.6014  261.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2159  223.2088  262.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3064  223.9179  261.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4653  224.2900  263.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8696  221.9319  263.5055 P   0  0  0  0  0  0  0  0  0  0  0  0
  201.5618  220.8921  262.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8020  219.8497  261.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3267  219.0694  260.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6136  219.3130  260.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3879  220.3300  260.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8703  221.1117  261.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8636  223.0675  264.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6267  220.4526  264.8218 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.5772  221.6662  263.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7511  222.9757  263.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
60.68949520,-92.41546218,-96.34033186,201.27914398,221.55394439,262.55084418
2.52838869,-1.06547527,1.48263635

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447572/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.23858

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.161418

>  <SCORE.INTRA.DIHEDRAL>
-0.13873

>  <SCORE.INTRA.DIHEDRAL.0>
10.3353

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0920533

>  <SCORE.INTRA.VDW.0>
0.454322

>  <SCORE.INTRA.norm>
-0.0124168

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.556814

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026292

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  199.7443  203.2949  244.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4715  203.4902  244.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5050  204.0778  245.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7191  204.4756  246.3909 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9770  204.2706  246.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0065  203.6913  246.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2373  204.6978  248.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3462  204.5312  248.7899 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1421  205.2664  248.9220 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2597  205.6988  250.2081 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2073  206.2235  250.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2412  206.7355  252.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0894  207.3046  252.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1142  207.8193  253.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3042  207.7385  254.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4488  207.1625  254.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4190  206.6652  252.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8952  208.4656  254.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8239  208.5058  253.7712 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.4670  207.8205  255.7316 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.1228  209.7550  254.9860 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.2724  205.3577  248.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.43898072,179.81959220,179.66253400,-0.92988746,197.35376232,206.20722531
250.70262461,1.19908013,0.29491645,-1.92596243

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447573/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.39492

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-0.00507867

>  <SCORE.INTRA.DIHEDRAL>
-0.0115708

>  <SCORE.INTRA.DIHEDRAL.0>
0.732386

>  <SCORE.INTRA.POLAR>
7.91143e-05

>  <SCORE.INTRA.POLAR.0>
-0.0820981

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000437756

>  <SCORE.INTRA.VDW.0>
-0.642465

>  <SCORE.INTRA.norm>
-0.000241842

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.447377

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000291

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  201.3417  198.0375  252.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2271  198.5452  250.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0023  199.9093  250.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8781  200.4168  249.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9783  199.5178  248.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2167  198.1565  248.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3401  197.6760  249.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7734  200.1108  246.6776 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.1580  199.0275  245.7890 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4594  200.7185  246.5946 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9652  201.3943  246.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5442  202.6500  245.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4872  203.6186  245.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8436  203.3801  245.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2670  202.1230  246.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3271  201.1211  246.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8158  204.3399  245.6873 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4327  205.6647  245.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8926  206.2814  246.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4991  207.6246  246.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6462  208.3733  245.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1707  207.7472  244.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5233  206.3984  244.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2378  209.8231  245.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6571  210.2852  246.5673 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.2930  210.6466  245.1802 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.3413  210.0545  244.4284 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.6960  205.4223  248.2102 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.2377  203.0284  245.8121 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6416  201.8909  249.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6494  202.2894  246.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
170.23137720,-124.18936204,1.15856111,16.33362046,67.55833559,-3.59256427
202.40093569,203.61116901,246.98215882,-2.79356194,-1.30811533,-1.55137922

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447574/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.52535

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-0.874649

>  <SCORE.INTRA.DIHEDRAL>
0.699839

>  <SCORE.INTRA.DIHEDRAL.0>
6.94442

>  <SCORE.INTRA.POLAR>
-0.13648

>  <SCORE.INTRA.POLAR.0>
-0.561565

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.760536

>  <SCORE.INTRA.VDW.0>
-2.33087

>  <SCORE.INTRA.norm>
-0.029155

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.317512

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  220.7700  185.9776  252.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8751  186.3461  250.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8993  187.3320  251.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0672  187.6983  249.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1894  187.0773  248.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1650  186.0920  248.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0028  185.7314  249.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3081  187.5581  247.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5058  188.4377  247.9168 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4528  186.9149  246.4111 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7166  187.1749  245.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7617  186.4766  244.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8393  187.0514  243.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1158  188.0886  243.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6269  188.4794  245.1985 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.9881  188.8221  242.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3693  187.9818  241.8287 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5388  187.4581  240.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5650  186.5783  241.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2819  186.9144  242.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0889  187.6139  242.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7117  186.2073  241.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7776  185.8319  243.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6087  185.2925  243.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6579  184.6608  242.8127 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3442  184.9848  244.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1910  183.8431  244.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0329  186.0796  246.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  1  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-2.36025644,-174.34607680,179.76809421,60.01630383,-179.66024432,216.39642090
186.81124710,245.39945181,0.75347193,-0.58465973,1.11616737

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447575/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.46939

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-3.93061

>  <SCORE.INTRA.DIHEDRAL>
-5.29655

>  <SCORE.INTRA.DIHEDRAL.0>
5.97319

>  <SCORE.INTRA.POLAR>
-0.561616

>  <SCORE.INTRA.POLAR.0>
-0.0102453

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.627154

>  <SCORE.INTRA.VDW.0>
2.18118

>  <SCORE.INTRA.norm>
-0.145578

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.239607

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000604

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  200.6212  212.0893  258.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8165  212.9245  257.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9025  212.4650  257.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5108  214.2540  257.8596 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6122  215.1109  257.5529 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1634  216.5579  257.5021 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4071  217.0869  258.8897 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.9183  218.4970  258.6738 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5604  218.3663  257.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4043  219.1110  256.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0336  217.3032  256.6409 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8621  219.4568  258.5699 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2933  220.7467  258.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4656  221.0834  258.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1525  221.7053  258.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4449  216.2707  259.4416 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6206  215.1531  258.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4635  214.3084  258.9349 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  6  0  0  0
  8  9  1  0  0  0  0
  8 12  1  6  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
179.50782737,174.62669060,172.63211390,-1.78251999,202.69253508,216.80440043
258.10367986,1.62302723,-0.06336118,-3.10917337

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447576/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.86067

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-1.53933

>  <SCORE.INTRA.DIHEDRAL>
-3.07671

>  <SCORE.INTRA.DIHEDRAL.0>
3.98211

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00096996

>  <SCORE.INTRA.VDW.0>
-0.140157

>  <SCORE.INTRA.norm>
-0.0855182

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.436704

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013209

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  217.0226  176.9448  243.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8189  177.5102  244.1776 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8005  178.6641  244.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5046  178.9085  245.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2179  180.0237  246.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2307  180.9200  246.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5304  180.6999  245.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8251  179.5719  245.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1286  179.4480  244.8184 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5752  181.7101  246.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8088  181.3335  246.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7652  182.2349  246.6319 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0925  181.8380  246.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0028  182.6023  246.9621 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3417  180.4286  246.2325 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.3294  179.6241  247.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9009  179.2003  246.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4584  177.9262  246.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9791  177.5642  247.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9085  179.0749  248.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7130  179.8729  245.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5391  183.1948  246.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-171.94545957,154.74433509,-151.36827879,179.60091175,-137.34758218,218.45770307
179.79663149,246.08611655,-2.79086417,-0.23674153,0.23203638

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447577/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.35758

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-5.04242

>  <SCORE.INTRA.DIHEDRAL>
2.64197

>  <SCORE.INTRA.DIHEDRAL.0>
3.03766

>  <SCORE.INTRA.POLAR>
-0.765017

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.76235

>  <SCORE.INTRA.VDW.0>
2.69577

>  <SCORE.INTRA.norm>
-0.252121

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.217879

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  188.9233  215.3000  258.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1299  213.8936  258.0602 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7543  213.3280  256.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1153  211.9958  256.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7737  211.7780  258.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6955  212.9279  258.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1589  213.1350  260.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0662  214.2981  260.8269 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6124  214.1259  262.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7599  215.0454  263.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3597  214.6214  264.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8037  213.3040  264.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6603  212.3727  263.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0583  212.8195  262.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7546  212.2022  261.0425 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0085  210.8037  260.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8802  211.0582  255.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4720  211.4168  254.6648 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1347  209.6079  256.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1264  208.7291  254.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3450  207.3637  255.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5613  206.8829  256.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5549  207.7384  257.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3306  209.1024  257.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7695  205.5740  256.5902 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
8.94662326,1.06828284,-169.62978399,189.90147776,211.50270140,258.89878983
1.05166339,-1.18470856,0.38785823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447594/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.56291

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-2.83709

>  <SCORE.INTRA.DIHEDRAL>
-9.67342

>  <SCORE.INTRA.DIHEDRAL.0>
10.5984

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.99962

>  <SCORE.INTRA.VDW.0>
-1.52062

>  <SCORE.INTRA.norm>
-0.113484

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.222516

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002673

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  203.7202  199.9017  237.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0313  200.4094  237.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7609  201.2932  236.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7910  201.1918  238.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2223  200.3725  239.9803 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9763  199.5126  240.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1926  199.3889  240.6438 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1631  198.7297  241.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2990  197.8537  241.1645 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.2137  200.3430  240.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
63.62936205,79.53854325,66.25184433,204.63746933,199.78484107,239.43361535
1.36092054,-0.51907819,-1.17756414

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447595/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.44573

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-0.954271

>  <SCORE.INTRA.DIHEDRAL>
0.0329996

>  <SCORE.INTRA.DIHEDRAL.0>
2.36408

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.970771

>  <SCORE.INTRA.VDW.0>
-0.00437492

>  <SCORE.INTRA.norm>
-0.10603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.827303

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014914

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  225.4273  187.4582  250.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6767  186.4560  250.0510 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3328  186.5498  250.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7937  187.3871  250.9631 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6157  185.4690  249.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9133  184.0896  250.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2752  183.9064  251.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9182  184.7861  252.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4623  184.7842  253.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8733  185.8423  254.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4616  185.9099  255.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6346  184.9162  256.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2146  183.8632  255.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6257  183.7978  254.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1256  184.9824  257.9749 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.9010  187.1036  253.8980 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-0.66112409,68.57574537,69.20323664,-67.25687950,178.85578801,-166.03558854
222.76780496,185.58520110,253.34159702,-0.99454516,0.94419006,1.27325869

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447596/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1802

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-1.21984

>  <SCORE.INTRA.DIHEDRAL>
0.857482

>  <SCORE.INTRA.DIHEDRAL.0>
1.1174

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.64858

>  <SCORE.INTRA.VDW.0>
3.31004

>  <SCORE.INTRA.norm>
-0.0762399

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.63626

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000387

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  208.0636  185.8117  246.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2207  186.6430  246.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8514  187.1109  248.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0111  188.0805  249.0593 P   0  0  0  0  0  0  0  0  0  0  0  0
  209.3779  189.3516  248.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1999  187.6798  250.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4609  186.4447  251.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5712  186.3781  252.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1707  189.0501  249.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3351  188.0236  250.6647 P   0  0  0  0  0  0  0  0  0  0  0  0
  213.2915  188.3880  249.5160 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4942  189.1129  251.8933 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6298  189.0383  253.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9793  190.1531  253.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4994  186.9971  251.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6090  185.6410  250.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6749  184.9036  251.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.23091898,92.40709293,82.73440737,-117.50950713,179.67735876,102.48957198
87.94069424,-36.67787167,-179.51458224,-179.94420167,211.04506596,187.65341986
250.29655039,-2.49399260,-0.48841272,0.84230503

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447597/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.905882

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.70355

>  <SCORE.INTRA.VDW.0>
5.41655

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  209.1991  208.4667  236.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2991  207.5687  235.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3889  208.4529  233.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6621  206.8323  235.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1633  206.4790  235.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6176  206.8082  235.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2099  207.9426  234.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8004  205.5248  234.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3999  207.2686  236.5777 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9140  206.6201  237.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3496  207.1851  238.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9092  206.1113  239.5323 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5387  206.0267  240.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0595  204.8610  241.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8871  203.7310  240.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2705  203.7713  239.0985 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7633  204.9762  238.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1174  205.2782  237.6266 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3396  208.5559  239.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9031  209.0847  240.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6635  210.4833  240.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9698  210.9970  239.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5822  209.7930  238.3715 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.4876  207.6941  236.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
52.97517983,49.67777920,-46.14523498,146.46653693,-173.30964914,207.76152228
207.23225026,237.70402725,1.71739713,1.36324696,-1.57660136

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447598/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31909

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-4.08091

>  <SCORE.INTRA.DIHEDRAL>
-3.65694

>  <SCORE.INTRA.DIHEDRAL.0>
5.19399

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.25245

>  <SCORE.INTRA.VDW.0>
-0.0162416

>  <SCORE.INTRA.norm>
-0.177431

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.274743

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000403

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  194.0661  206.8144  256.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5577  206.5153  257.0803 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.3948  207.1555  255.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7447  206.6016  254.9374 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8655  208.3702  256.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3720  209.3358  254.9991 P   0  0  0  0  0  0  0  0  0  0  0  0
  195.9613  209.3640  254.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3846  210.6638  255.9459 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8785  210.3014  253.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0494  206.9127  258.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8369  208.0445  256.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7520  209.3799  257.2037 P   0  0  0  0  0  0  0  0  0  0  0  0
  192.6345  209.4584  258.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2166  209.5135  257.8109 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7589  210.5905  256.1608 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8351  211.3808  255.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6631  209.7471  252.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9367  207.8792  258.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8781  209.6736  257.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3903  210.4049  255.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <CHROM.1>
-26.41857534,-91.14892293,-96.32221219,-63.24833068,-161.75569646,62.45214206
168.04063391,51.30553388,-63.53099831,65.40467803,-39.90715254,195.57802192
208.76791805,256.25276471,-2.76862847,0.58817694,-0.33717063

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447599/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.90904

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-19.309

>  <SCORE.INTRA.DIHEDRAL>
-14.2004

>  <SCORE.INTRA.DIHEDRAL.0>
28.5965

>  <SCORE.INTRA.POLAR>
-3.39317

>  <SCORE.INTRA.POLAR.0>
-0.0762196

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.672059

>  <SCORE.INTRA.VDW.0>
-2.34834

>  <SCORE.INTRA.norm>
-1.28727

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
-0.527269

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022571

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 44  0  0  0  0  0  0  0  0999 V2000
  193.7845  214.4660  253.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5461  215.5355  253.8917 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8455  215.1341  254.6120 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.1088  216.2304  255.5314 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2457  217.4975  254.8784 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1125  217.8474  254.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8111  216.8396  253.1242 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6196  217.2772  252.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4748  217.7905  252.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4574  218.3764  252.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5669  218.4684  250.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6789  217.8902  250.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6925  217.2992  250.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4729  219.1260  249.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7091  220.5180  249.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4380  218.6080  255.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6398  219.3308  255.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8894  220.3502  256.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9183  220.6814  257.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7128  219.9771  257.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4771  218.9438  256.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1899  221.0525  256.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9735  220.6804  255.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4366  222.0197  257.6606 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6413  222.7491  257.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7974  223.5823  258.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9896  224.2876  259.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0277  224.1746  258.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8754  223.3589  257.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6757  222.6698  256.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9948  223.2600  256.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0292  223.8929  256.2765 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8613  222.3691  254.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1885  214.8220  253.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8812  215.8216  253.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2289  216.0971  253.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9927  215.3511  251.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7214  215.5232  250.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0375  214.5186  250.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9631  220.8667  249.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7761  222.0959  258.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <CHROM.1>
60.71355041,117.14134455,72.05564104,91.04035103,-179.72492344,-1.49767605
-172.89380821,0.39220889,120.58835618,79.01991350,-119.49522610,197.18869073
219.05308753,254.50040013,-2.43768003,-0.29796450,0.40943592

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447600/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.3415

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394872

>  <SCORE.INTRA>
-6.0585

>  <SCORE.INTRA.DIHEDRAL>
-5.83437

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.14131

>  <SCORE.INTRA.VDW.0>
-0.539143

>  <SCORE.INTRA.norm>
-0.155346

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.239526

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  206.3898  202.5180  252.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7874  202.8364  250.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7100  204.0512  250.5868 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.2019  205.2153  251.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1355  204.8384  252.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4367  205.7957  253.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3643  205.4708  255.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9716  204.1914  255.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6572  203.2373  254.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
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  207.9230  204.6100  249.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0327  204.8282  248.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2653  204.8558  248.9593 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9647  204.2036  249.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1624  203.9722  249.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0885  203.7085  250.8602 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9275  205.3401  247.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1375  205.2751  246.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0483  206.2716  245.7065 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4415  204.1599  246.0592 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0751  202.8726  246.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7740  202.5288  246.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0548  201.5202  246.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7443  200.5711  247.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9280  200.9556  248.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3318  200.1571  249.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5932  200.2890  249.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4820  201.1172  249.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0475  201.9438  247.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7207  201.9837  247.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4082  203.1303  251.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9035  204.4228  245.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 30  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-15.09219196,130.03655758,143.46735777,208.16174409,203.47423293,249.70106306
2.22509264,1.26411915,0.76544753

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447601/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.02788

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.28

>  <SCORE.INTRA>
-3.37212

>  <SCORE.INTRA.DIHEDRAL>
1.72097

>  <SCORE.INTRA.DIHEDRAL.0>
3.41275

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.2326

>  <SCORE.INTRA.VDW.0>
-1.11687

>  <SCORE.INTRA.norm>
-0.112404

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.167596

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000341

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  207.6615  202.0899  238.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1094  201.8386  239.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6076  202.7405  240.4527 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.9328  204.1258  240.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5182  204.0730  240.6922 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5520  203.7285  239.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8651  203.5242  238.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2416  203.6222  240.1874 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2084  203.3527  239.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4072  203.2598  238.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7927  203.1501  239.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2819  204.2873  240.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7222  204.0780  242.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9103  204.0790  242.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8085  203.8800  243.1023 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.3305  202.1306  241.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2660  201.8606  242.0358 Hg  0  0  0  0  0  0  0  0  0  0  0  0
  205.2504  204.3063  241.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0245  203.7371  241.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1  15  -1
M  END
>  <CHROM.1>
77.46616733,66.74756609,-59.67431130,-84.61771590,52.62078076,-84.05553161
63.20026916,204.55927786,202.66385319,241.12210107,-0.04916157,0.28752768
-1.26474515

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447602/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.57662

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.729412

>  <SCORE.INTRA>
-3.82338

>  <SCORE.INTRA.DIHEDRAL>
1.01764

>  <SCORE.INTRA.DIHEDRAL.0>
6.06077

>  <SCORE.INTRA.POLAR>
-1.24876

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0864141

>  <SCORE.INTRA.VDW.0>
-1.74698

>  <SCORE.INTRA.norm>
-0.224905

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.504507

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017203

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 42  0  0  0  0  0  0  0  0999 V2000
  199.9595  218.6185  249.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1568  219.8631  249.6319 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1065  220.9810  249.8148 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2566  220.3873  249.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3076  219.0494  250.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5797  221.0322  249.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6734  220.1669  250.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9729  220.6625  250.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1867  222.0308  249.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1079  222.9038  249.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7839  222.4305  249.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6681  223.4715  249.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6209  223.4275  248.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7923  222.6121  247.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7841  222.4922  246.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5966  223.2052  246.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4119  224.0601  247.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4086  224.1626  248.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1192  224.9831  249.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0073  225.3815  250.7197 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2830  226.1568  251.7332 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8388  226.1453  251.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8226  225.3034  250.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6026  225.5271  253.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3238  224.0540  253.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1530  223.0789  252.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8072  221.7225  252.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6428  221.3180  253.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8083  222.2885  254.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1404  223.6424  253.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8838  220.0077  250.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9821  221.1618  250.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5039  221.2602  248.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7296  222.3498  248.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4192  223.3604  249.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8616  223.2683  250.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6441  222.1741  251.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  1  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  1  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-175.20644549,175.23584120,-60.07113072,-12.21042736,18.82583767,-55.47372440
74.98424482,56.44723501,199.63506819,222.55799642,250.26643150,0.41869046
0.20795618,-2.33810980

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447603/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.81389

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.362162

>  <SCORE.INTRA>
-8.58611

>  <SCORE.INTRA.DIHEDRAL>
-5.19259

>  <SCORE.INTRA.DIHEDRAL.0>
9.50016

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00625428

>  <SCORE.INTRA.REPUL.0>
0.00625428

>  <SCORE.INTRA.VDW>
-5.95854

>  <SCORE.INTRA.VDW.0>
-3.57989

>  <SCORE.INTRA.norm>
-0.232057

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.130105

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026589

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  210.0336  192.5921  253.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9738  192.3597  252.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3324  191.8684  252.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3617  191.4088  251.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1739  192.0035  250.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5657  193.1627  249.5862 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3781  193.9166  248.7627 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.0827  195.0534  248.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9070  192.9132  247.8271 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4317  194.3041  249.8082 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  CHG  1  10  -1
M  END
>  <CHROM.1>
68.56016204,61.04642523,-178.89518790,179.78575380,209.36323590,193.09892329
250.12258989,0.68524822,-0.78537823,1.32668656

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447604/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.03439

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-1.36561

>  <SCORE.INTRA.DIHEDRAL>
0.115681

>  <SCORE.INTRA.DIHEDRAL.0>
0.278265

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.42345

>  <SCORE.INTRA.VDW.0>
1.49883

>  <SCORE.INTRA.norm>
-0.136561

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.803439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004425

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 47  0  0  0  0  0  0  0  0999 V2000
  191.2270  219.2554  257.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0983  218.4041  257.8208 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4539  218.6283  259.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1753  218.6324  260.1559 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4650  218.8187  261.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1344  218.9717  261.3521 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4495  218.9891  260.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0868  218.7980  258.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1055  219.0719  260.2953 N   0  5  0  0  0  0  0  0  0  0  0  0
  185.4203  219.2243  261.7450 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.8782  220.3443  262.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9585  219.0644  261.7295 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9595  217.7824  262.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1223  217.8356  264.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5682  216.7022  264.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8520  215.4997  264.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6325  215.4861  262.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1936  216.6004  262.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4135  214.3379  264.7719 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7395  213.0978  264.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7402  212.7689  262.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8254  212.1074  265.3116 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.2458  213.0035  266.4433 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6981  214.3260  266.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8020  215.2253  266.9609 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0825  212.2328  267.7751 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.4483  211.5356  267.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2117  211.3361  268.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5467  211.0415  268.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0589  211.0118  267.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2059  210.9605  266.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8492  211.0357  266.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6129  210.7897  265.6131 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.5777  210.1118  266.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2415  208.7721  266.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4254  208.3740  267.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9229  209.3002  268.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2952  210.6367  268.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1657  211.0163  267.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2342  218.8106  262.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7195  217.9084  263.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 20  1  6  0  0  0
 22 33  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 39  1  6  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 40 41  1  0  0  0  0
M  CHG  1   9  -1
M  END
>  <CHROM.1>
-51.32930819,-128.43464572,3.34534381,55.19991321,149.38288954,-179.34689404
187.95982129,215.10647747,263.99788472,-1.62987592,-0.28139110,2.42550283

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447605/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.72199

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278049

>  <SCORE.INTRA>
-5.67801

>  <SCORE.INTRA.DIHEDRAL>
-1.11388

>  <SCORE.INTRA.DIHEDRAL.0>
8.09253

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.12107

>  <SCORE.INTRA.VDW.0>
3.41344

>  <SCORE.INTRA.norm>
-0.138488

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.139561

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002915

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  211.8079  183.2222  250.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5168  182.7916  248.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8635  182.1465  249.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6069  181.7520  247.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3994  183.1640  247.0549 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.1956  183.7981  248.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0303  182.7293  245.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0225  184.2128  246.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1781  183.9666  245.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0869  184.8436  245.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8659  185.9515  246.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7103  186.2163  247.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7891  185.3328  247.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5064  187.3651  248.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0615  187.3805  249.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8513  186.9183  250.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2399  186.4955  251.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9298  186.8786  251.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2015  187.5749  250.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7495  187.7726  249.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2986  186.5934  253.0448 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9328  185.4764  252.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4335  185.0731  253.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1985  184.9049  251.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6328  183.6271  252.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8741  183.1764  251.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7013  184.0276  251.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2449  185.2897  250.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9587  185.6837  251.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3269  186.8583  250.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9887  187.7724  249.9101 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2946  182.8606  244.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2575  188.2161  247.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9551  186.1819  253.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-178.07527517,79.40411272,52.37044581,-74.18518857,110.49922104,69.56636919
6.05070174,213.54427446,184.93884805,249.22645364,-2.04922522,0.70419375
-1.76520341

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447606/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61289

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-4.78711

>  <SCORE.INTRA.DIHEDRAL>
1.19242

>  <SCORE.INTRA.DIHEDRAL.0>
2.38437

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.38332

>  <SCORE.INTRA.VDW.0>
-1.66037

>  <SCORE.INTRA.norm>
-0.149597

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.206653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000508

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 43  0  0  0  0  0  0  0  0999 V2000
  202.1924  201.1934  248.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0396  201.5770  247.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1220  202.1121  246.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3647  202.2626  247.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5157  201.8796  248.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4277  201.3442  249.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8183  202.0182  249.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9406  201.6314  250.2040 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9717  202.6084  248.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8299  202.9893  246.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5097  202.8014  246.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3604  203.0640  245.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9330  203.5095  246.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1568  203.6381  246.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2965  203.2511  248.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2136  202.7576  248.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3790  202.5408  250.3686 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1748  203.2908  251.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7396  204.5182  250.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6620  205.1476  251.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0443  204.5639  252.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3863  203.3884  253.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5023  202.7356  252.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8831  205.1949  253.9237 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4557  206.6161  251.1609 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.4283  207.4803  250.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3742  207.0925  252.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3183  206.1042  249.8963 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6154  204.3492  246.1802 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.2408  205.1472  247.2123 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3092  203.2774  245.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1240  205.4028  245.0596 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7350  204.0740  244.9566 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5045  201.5356  250.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2941  206.0642  253.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6221  204.5853  254.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6924  205.7707  249.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.2395  205.1127  244.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.9448  204.7363  244.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6534  203.3936  244.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 37  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <CHROM.1>
47.13087762,140.11966389,-140.62762444,11.55257674,47.96537534,-8.36627634
63.95951278,-26.33376482,208.50951166,203.85626678,248.82991730,2.66107873
-0.48887955,-1.52959489

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447607/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.51854

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-6.88146

>  <SCORE.INTRA.DIHEDRAL>
-1.06049

>  <SCORE.INTRA.DIHEDRAL.0>
5.96932

>  <SCORE.INTRA.POLAR>
-1.70626

>  <SCORE.INTRA.POLAR.0>
-0.932996

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.549927

>  <SCORE.INTRA.VDW.0>
-2.62704

>  <SCORE.INTRA.norm>
-0.208529

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.136926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020760

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  201.3602  202.2750  244.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8012  203.2941  243.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0703  204.3151  244.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8744  204.3259  245.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4315  203.2789  246.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1778  202.2691  245.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0598  205.4075  246.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1364  206.5025  245.2469 Se  0  0  0  0  0  0  0  0  0  0  0  0
  198.9924  205.5754  247.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0527  206.4565  248.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0053  206.6623  249.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8874  205.9819  250.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8268  205.1010  250.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8883  204.9085  248.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8532  206.1840  252.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8553  207.0683  252.4289 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.6232  204.9711  252.6790 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.0686  206.6885  252.4800 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
10.00253693,-169.62384728,1.30095770,199.13847454,205.43217037,247.76414604
-1.37735132,-0.90019636,1.48739296

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447608/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.72354

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-1.67646

>  <SCORE.INTRA.DIHEDRAL>
-5.25568

>  <SCORE.INTRA.DIHEDRAL.0>
6.89668

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.951379

>  <SCORE.INTRA.VDW.0>
-1.31984

>  <SCORE.INTRA.norm>
-0.0931367

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.37353

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.175150

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  218.8318  186.0704  251.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1627  187.3982  251.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9334  187.5316  252.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1196  188.8266  251.4333 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.4913  186.6184  252.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1765  189.7371  251.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
179.99619295,218.45353326,187.78781647,251.63729753,-2.06803101,0.28630724
-0.00758268

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447609/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.04651

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-0.353493

>  <SCORE.INTRA.DIHEDRAL>
-2.30387e-08

>  <SCORE.INTRA.DIHEDRAL.0>
3.5151e-08

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.353493

>  <SCORE.INTRA.VDW.0>
0.303371

>  <SCORE.INTRA.norm>
-0.0883732

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.51163

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.140266

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  186.7364  216.5555  262.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8179  217.5471  263.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6873  218.5071  263.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7363  218.6620  261.7494 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1102  217.3350  261.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6874  219.7234  261.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6496  220.0354  259.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5479  220.5034  259.2988 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9019  220.7056  257.9762 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2153  220.3843  257.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7250  219.9395  258.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7671  220.5879  256.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1171  220.3042  256.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6673  220.5221  254.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8735  221.0258  253.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5312  221.3087  254.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9811  221.0906  255.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-172.94022578,61.82685408,178.78172098,187.05797671,219.65543280,258.82759907
-1.86717636,0.57768963,-1.03010525

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447618/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.35443

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-0.0455722

>  <SCORE.INTRA.DIHEDRAL>
0.0422236

>  <SCORE.INTRA.DIHEDRAL.0>
0.30993

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0666841

>  <SCORE.INTRA.VDW.0>
-0.823468

>  <SCORE.INTRA.norm>
-0.00268072

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.491437

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002583

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  190.3052  213.9941  263.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1619  214.9374  264.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7175  215.4940  265.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1589  214.8332  266.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7280  215.5406  267.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8537  216.9358  267.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4267  217.6050  266.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8505  216.8849  265.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3236  217.6305  269.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7955  216.9525  269.9294 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3463  219.1485  269.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4789  219.7450  268.1544 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1131  219.6795  268.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2598  220.1636  267.4678 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7397  220.8245  266.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1084  221.0354  266.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0437  220.4601  267.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2515  220.6309  266.9755 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5926  221.7529  265.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6944  222.2429  264.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3292  222.0142  264.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8574  221.3114  265.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1519  221.0524  265.4682 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.2752  223.1310  262.7342 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.0089  213.5010  266.6708 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
47.13363909,-0.45608226,64.96584345,73.88774849,188.46789149,218.96599747
266.16710203,-0.67606185,0.94393067,-1.06187618

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447619/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.66505

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.73495

>  <SCORE.INTRA.DIHEDRAL>
2.38415

>  <SCORE.INTRA.DIHEDRAL.0>
3.75819

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.92703

>  <SCORE.INTRA.VDW.0>
2.26341

>  <SCORE.INTRA.norm>
-0.0693981

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.306602

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000385

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  222.6323  195.9231  245.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3618  195.5383  244.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9104  194.7070  243.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3481  193.4920  244.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8958  192.6413  243.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5703  192.3842  242.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9857  191.5780  241.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7372  190.9920  241.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0882  191.1973  242.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6735  192.0140  243.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1295  190.1963  240.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8388  190.2340  239.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7728  191.1339  240.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9902  192.0746  241.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5275  190.7242  240.0454 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5209  189.6763  239.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2483  189.0201  238.2708 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.1677  189.1147  238.8686 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.3515  191.4012  240.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1165  190.7404  240.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9657  191.4048  240.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0302  192.7433  241.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2652  193.4013  241.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4196  192.7269  240.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7727  193.3895  241.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6995  192.8122  241.7978 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9139  194.6786  242.1712 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0970  195.1263  242.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
119.68119672,-179.99482230,41.65210027,-137.60134889,-153.30453687,-2.18748213
178.56165065,215.70375910,191.85164539,241.33134103,0.35136148,-0.11967023
0.70437924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447620/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.45788

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-6.94212

>  <SCORE.INTRA.DIHEDRAL>
-18.2181

>  <SCORE.INTRA.DIHEDRAL.0>
28.5849

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.16691

>  <SCORE.INTRA.VDW.0>
-0.57303

>  <SCORE.INTRA.norm>
-0.257116

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.165107

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000339

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  184.3930  216.1148  257.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4161  216.9584  258.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2161  216.3934  259.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1434  215.3821  258.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9182  214.7802  259.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7869  215.1887  261.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8923  216.2110  261.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1132  216.8562  260.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1844  217.8366  260.8885 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9532  217.4211  261.3114 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.9411  217.8120  260.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5412  217.3566  260.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8077  217.8507  259.8507 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.6216  218.6855  258.9839 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8512  218.6941  259.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8874  219.4136  258.8736 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.1545  216.5174  261.8078 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1564  218.6253  260.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.5729  220.1870  258.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.5472  218.8113  258.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.9500  216.9755  262.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.7145  215.6752  261.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <CHROM.1>
70.32155100,88.50415716,-114.32545851,85.29027026,-159.55899621,184.41245344
217.05633950,259.90144069,-0.08882961,0.39444548,-1.22802346

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447621/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.20054

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-8.19946

>  <SCORE.INTRA.DIHEDRAL>
3.65607

>  <SCORE.INTRA.DIHEDRAL.0>
2.76367

>  <SCORE.INTRA.POLAR>
-1.71064

>  <SCORE.INTRA.POLAR.0>
-0.0556277

>  <SCORE.INTRA.REPUL>
-0.209914

>  <SCORE.INTRA.REPUL.0>
0.209914

>  <SCORE.INTRA.VDW>
-3.16175

>  <SCORE.INTRA.VDW.0>
1.55113

>  <SCORE.INTRA.norm>
-0.482321

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.129444

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  210.5193  190.9918  249.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8490  192.1538  248.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3255  191.7925  247.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4687  193.6219  249.4531 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.8620  194.7369  248.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3274  195.0427  248.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1341  195.4736  249.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7722  196.8145  249.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2853  197.9531  248.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7030  197.8783  248.5883 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0797  196.6073  248.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5957  195.4576  248.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9604  193.6196  249.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7091  193.6177  249.7972 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1135  193.9215  250.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3486  194.6321  251.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7821  194.8162  253.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0248  194.3501  253.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8617  193.7109  252.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1334  193.3164  253.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0253  192.6702  252.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6381  192.3846  250.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3644  192.7551  250.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4294  193.4602  251.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  3  0  0  0  0
 15 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
179.24992657,-65.94449414,-140.35421874,-60.31488350,-69.75879570,212.20437875
194.28453025,250.13049319,2.54627394,0.51394998,2.21309710

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447622/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09809

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-2.30191

>  <SCORE.INTRA.DIHEDRAL>
-0.693286

>  <SCORE.INTRA.DIHEDRAL.0>
1.88607

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.95527

>  <SCORE.INTRA.VDW.0>
-0.145273

>  <SCORE.INTRA.norm>
-0.095913

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.33742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.086774

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  192.7330  222.6526  257.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9530  222.2775  257.1726 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9700  223.3156  257.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4152  220.9431  257.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1337  220.1711  256.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2940  220.8591  256.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9109  220.2300  254.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4863  219.1944  254.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0834  221.1570  254.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9824  220.4272  253.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8574  220.6598  252.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6364  219.9709  251.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5690  219.0375  251.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7423  218.8173  252.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9669  219.5131  253.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6684  222.5751  254.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3306  222.9690  253.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9997  224.2918  253.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9990  225.2428  253.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3329  224.8678  253.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6618  223.5488  253.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8783  221.3877  255.6719 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2539  221.7005  256.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
148.97730059,59.84209193,-176.05895565,1.46807630,170.13109357,101.11139464
-10.80143627,-52.10653049,197.21827836,221.54008017,254.61107289,3.01053774
0.73563419,-0.27957549

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447623/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.0944645

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-12.3055

>  <SCORE.INTRA.DIHEDRAL>
-20.3667

>  <SCORE.INTRA.DIHEDRAL.0>
24.2854

>  <SCORE.INTRA.POLAR>
-0.0996173

>  <SCORE.INTRA.POLAR.0>
-0.109643

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78349

>  <SCORE.INTRA.VDW.0>
-0.116384

>  <SCORE.INTRA.norm>
-0.559343

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.00429384

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  187.0236  209.2403  255.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1088  209.7947  256.6118 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2924  209.9572  255.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0126  211.1108  256.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2454  211.4057  255.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7791  210.4983  254.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0439  209.3552  254.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8083  209.0889  254.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9658  210.8193  254.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0182  209.8660  254.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9418  212.6121  255.9885 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5751  213.7414  256.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5605  214.6120  256.7049 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5631  214.0372  255.9812 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2110  212.8391  255.5468 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0122  214.0622  257.3915 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.2964  215.6165  258.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1395  215.3664  259.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6927  215.3448  260.6936 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4889  215.1443  259.3015 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3582  214.8574  260.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2466  213.4411  261.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1561  212.3255  259.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2219  211.9860  259.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1249  210.9380  258.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9212  210.2263  258.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8489  210.5643  258.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9652  211.5984  259.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8993  209.2257  257.1383 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1931  208.0361  257.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1613  210.5731  257.3716 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8940  211.6414  256.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8322  215.0604  258.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
142.96511830,-9.26299904,128.68422305,175.82463786,-71.75358846,-104.48980657
75.80208138,42.66549753,67.71125233,-41.99444413,142.03797664,191.92852775
211.94940348,257.28096967,1.78028840,0.12380085,-2.49350426

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447624/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.08806

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5125

>  <SCORE.INTRA>
-14.3119

>  <SCORE.INTRA.DIHEDRAL>
5.92521

>  <SCORE.INTRA.DIHEDRAL.0>
7.61406

>  <SCORE.INTRA.POLAR>
-0.989136

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.17951

>  <SCORE.INTRA.REPUL.0>
0.180628

>  <SCORE.INTRA.VDW>
-13.0139

>  <SCORE.INTRA.VDW.0>
8.04833

>  <SCORE.INTRA.norm>
-0.447248

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0652518

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  199.7478  197.0027  248.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8454  198.0561  248.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5902  199.1824  247.6980 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9335  200.4029  248.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7558  201.4221  248.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0378  199.0553  246.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7459  198.1072  246.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5401  200.1008  245.3266 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.3805  201.3718  245.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5122  202.5203  245.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0671  202.0099  245.1286 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.1620  200.5854  245.4670 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1171  199.6756  245.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3246  198.4666  245.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8665  200.2506  245.6128 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6152  199.5982  245.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4734  200.4023  245.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1996  199.8303  245.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0627  198.4448  245.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1997  197.6374  245.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4759  198.2103  245.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3631  202.3036  243.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9466  202.3057  243.9448 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8204  201.2524  245.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5414  202.4889  243.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  1  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
93.53059583,79.21578871,78.76889704,-159.02027075,-177.14793518,-179.71661002
198.33179840,199.88679962,246.04708289,0.09257080,0.24383037,2.54440961

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447625/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.56608

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-4.83392

>  <SCORE.INTRA.DIHEDRAL>
-1.44952

>  <SCORE.INTRA.DIHEDRAL.0>
6.37612

>  <SCORE.INTRA.POLAR>
-0.471727

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.50529

>  <SCORE.INTRA.VDW.0>
-0.165921

>  <SCORE.INTRA.norm>
-0.21017

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.242004

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002133

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  189.9262  208.2666  252.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9349  209.5225  251.5860 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.2907  209.0359  250.2685 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2327  210.7825  251.7331 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3440  209.6262  252.4972 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1328  210.8772  252.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8445  211.0490  251.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2311  211.7462  250.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8219  211.8034  248.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0364  211.1641  248.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6745  210.4935  249.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0873  210.4417  250.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0331  208.4478  252.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6829  207.6150  251.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3727  206.4950  252.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4085  206.1980  253.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7502  207.0345  254.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0658  208.1585  254.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2362  205.0476  254.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8176  204.4068  253.4164 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2215  204.7722  255.6413 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9415  203.7288  256.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7096  203.5007  257.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3468  202.4442  258.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2393  201.6268  257.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5117  201.8686  256.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8656  202.9193  255.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1551  200.0328  258.5769 I   0  0  0  0  0  0  0  0  0  0  0  0
  194.5384  205.2525  256.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-159.28848367,-71.11218955,68.04366175,92.61237937,-1.56537505,-173.54534663
194.99197832,205.64850165,254.40974138,1.99162919,0.26981134,-0.76797212

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447634/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.55749

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-3.84251

>  <SCORE.INTRA.DIHEDRAL>
-6.33984

>  <SCORE.INTRA.DIHEDRAL.0>
8.79678

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.672591

>  <SCORE.INTRA.VDW.0>
-2.46251

>  <SCORE.INTRA.norm>
-0.137233

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.26991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001538

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  195.6846  208.7308  254.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1108  208.6646  254.5117 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5809  207.5472  255.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0452  207.6140  256.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5520  206.4851  257.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6244  205.2747  256.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1961  205.2033  255.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6632  206.3291  254.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2650  206.0895  253.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4879  205.1569  252.8234 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6184  206.9755  252.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5065  208.1142  252.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9168  209.1256  251.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2325  208.2894  250.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9470  206.9277  250.7377 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4034  205.7686  249.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5648  204.6253  250.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5269  204.4511  250.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-102.76318738,-127.46253017,92.63373142,-51.57413885,197.45011267,206.87500974
253.17737451,0.22550376,-1.42509157,0.20905823

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447635/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.70031

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-2.69969

>  <SCORE.INTRA.DIHEDRAL>
5.68625

>  <SCORE.INTRA.DIHEDRAL.0>
9.65016

>  <SCORE.INTRA.POLAR>
-0.766159

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.93788

>  <SCORE.INTRA.VDW.0>
1.35012

>  <SCORE.INTRA.norm>
-0.158806

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.335312

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  191.8276  209.8868  254.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8597  209.9387  254.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5874  211.1143  255.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2987  212.2448  254.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2724  212.1955  253.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5487  211.0091  253.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4731  210.9987  252.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1225  212.0657  251.7016 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8210  209.7377  251.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3409  208.4741  252.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7000  207.3195  251.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5605  207.4309  250.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0483  208.6755  250.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6802  209.8320  250.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9555  206.3212  250.3809 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.5779  211.1573  256.0153 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
167.60126491,-12.29352106,190.86853713,209.86243556,252.70663617,-0.41874720
0.75039863,3.00728043

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447636/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78376

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-1.61624

>  <SCORE.INTRA.DIHEDRAL>
-6.08499

>  <SCORE.INTRA.DIHEDRAL.0>
7.12603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.42626

>  <SCORE.INTRA.VDW.0>
-0.545815

>  <SCORE.INTRA.norm>
-0.101015

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.361485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013151

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  216.9943  187.2923  247.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0873  187.4428  246.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8260  186.3264  245.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8567  186.4794  244.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1560  187.7433  244.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4308  188.8638  244.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3968  188.7119  245.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2653  187.9020  243.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6312  189.0418  243.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8796  186.6611  242.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4684  185.4882  243.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5407  185.3687  244.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9243  184.1961  242.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5253  182.8964  243.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3761  181.9833  242.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2391  182.7497  241.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9804  184.0650  241.9546 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7977  186.7308  241.7092 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2323  186.9020  240.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3747  185.7418  239.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9047  184.6482  239.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1243  183.5099  239.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8145  183.4508  239.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2820  184.5283  240.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0649  185.6571  240.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5551  186.6602  241.1897 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-80.36645855,-172.10269239,-63.66397379,-90.24695751,220.72764676,185.83776016
242.64484508,2.89360945,1.11400041,-0.37759334

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447637/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.99051

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-4.40949

>  <SCORE.INTRA.DIHEDRAL>
4.2474

>  <SCORE.INTRA.DIHEDRAL.0>
1.67267

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.53319

>  <SCORE.INTRA.VDW.0>
1.00096

>  <SCORE.INTRA.norm>
-0.169596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.191943

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000145

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  219.1864  180.6102  243.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1275  181.2515  244.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2446  181.9917  243.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4127  182.2184  245.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4621  181.5722  246.4179 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.8783  182.5614  247.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0845  182.4425  248.6572 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1298  183.6139  246.9337 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5419  184.5482  247.8178 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3550  180.8451  245.7720 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1065  179.5081  245.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7423  178.7212  246.6491 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8890  179.1940  245.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2535  178.0109  245.1172 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1172  178.0882  244.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6662  179.2783  243.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3279  180.4598  243.8971 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4499  180.3524  244.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3674  181.4193  245.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2272  182.6042  244.7583 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0180  183.7461  245.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5331  184.3410  247.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.5882  185.4727  247.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
69.72787842,174.41565154,-118.91186811,122.00733977,-105.37392708,217.12654192
181.03816587,245.50013220,-0.76546026,-0.25987015,-2.43487386

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447638/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.91541

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-1.48459

>  <SCORE.INTRA.DIHEDRAL>
0.224824

>  <SCORE.INTRA.DIHEDRAL.0>
3.97949

>  <SCORE.INTRA.POLAR>
-0.327927

>  <SCORE.INTRA.POLAR.0>
-0.10441

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.482052

>  <SCORE.INTRA.VDW.0>
-2.14659

>  <SCORE.INTRA.norm>
-0.0742297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.44577

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000348

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  211.6488  180.2102  240.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7157  181.1759  239.9619 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8260  180.6845  238.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9140  182.5468  240.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1533  183.5182  239.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3566  184.9126  239.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3441  185.3755  240.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0939  184.4288  241.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8769  183.0528  241.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6492  186.7619  240.6109 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9151  187.6643  239.9281 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3274  188.8324  240.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8349  190.0943  240.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4501  191.1524  240.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5000  191.0014  241.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0409  189.7148  242.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4096  188.6108  241.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6068  187.2721  241.4486 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0327  192.1540  242.3605 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5581  193.4637  242.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5423  193.7809  241.6138 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3350  194.4825  242.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1409  195.8510  242.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1782  196.3776  243.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9519  195.2994  244.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4534  194.1432  243.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4748  195.3932  245.2206 Br  0  0  0  0  0  0  0  0  0  0  0  0
  213.7839  192.0253  243.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
170.86234135,1.88768792,4.72025535,179.75730014,212.86075634,189.80360720
242.00942873,-1.98133949,-0.67864469,0.06741939

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447639/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.98071

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-0.419286

>  <SCORE.INTRA.DIHEDRAL>
-1.10221

>  <SCORE.INTRA.DIHEDRAL.0>
1.4571

>  <SCORE.INTRA.POLAR>
-0.00195372

>  <SCORE.INTRA.POLAR.0>
-0.0625739

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.138461

>  <SCORE.INTRA.VDW.0>
2.31405

>  <SCORE.INTRA.norm>
-0.0155291

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.332619

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  200.5615  207.1795  240.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7585  207.9261  241.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6898  207.3326  241.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4268  205.9890  241.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2307  205.2788  240.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3011  205.8291  240.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7236  203.9183  240.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1840  202.9947  240.1179 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4950  203.8878  241.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7745  202.9175  241.7821 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4302  205.1555  242.2712 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4386  205.6355  243.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1243  206.8232  243.2225 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6695  204.6736  243.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2122  203.4580  244.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4412  202.5936  245.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1557  202.9514  245.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6344  204.1889  245.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3888  205.0476  244.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0863  201.0677  245.6551 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
28.69341413,197.14787426,204.44404064,242.88095681,0.61467541,0.74367387
-0.13487752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447640/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.13962

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.26038

>  <SCORE.INTRA.DIHEDRAL>
-1.37367

>  <SCORE.INTRA.DIHEDRAL.0>
3.80557

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.426454

>  <SCORE.INTRA.VDW.0>
-0.497277

>  <SCORE.INTRA.norm>
-0.013019

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.306981

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003876

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  209.9582  202.1688  248.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1563  203.3068  247.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7325  204.5323  248.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2381  202.8079  246.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8309  203.6959  247.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7692  203.9439  245.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5671  204.2978  245.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3891  204.4270  245.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4213  204.2067  247.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6287  203.8544  247.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1198  204.8180  245.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0489  204.9212  243.9609 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8537  205.3175  243.4183 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8021  205.6354  242.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7469  205.5010  241.2826 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4161  206.1232  241.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0913  207.7968  242.2334 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.9268  207.8759  243.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3626  207.7280  244.9354 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3542  207.7404  245.8894 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5229  207.9345  245.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3149  207.9318  243.9032 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3231  208.0043  242.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0369  208.6048  241.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9136  208.4592  240.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1297  207.8084  240.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4602  207.2895  242.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5529  207.3634  243.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8084  208.1419  246.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0758  207.4694  247.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3534  207.5180  247.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3938  208.2441  247.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1105  208.9599  246.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8202  208.9640  245.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6396  208.2020  247.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7273  207.7808  246.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6583  206.8840  248.9912 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6982  207.0079  250.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0396  205.3924  244.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
-137.50491062,6.73821491,170.37103678,72.04230513,-31.60020794,-99.96233301
35.60058513,28.28274995,-44.16105897,124.74219371,206.38200893,206.42946896
245.19335629,-0.15602943,0.81771527,-2.51282637

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447641/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.00957

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-6.39043

>  <SCORE.INTRA.DIHEDRAL>
8.68613

>  <SCORE.INTRA.DIHEDRAL.0>
11.7582

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.7335

>  <SCORE.INTRA.VDW.0>
4.18819

>  <SCORE.INTRA.norm>
-0.168169

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.237094

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 59  0  0  0  0  0  0  0  0999 V2000
  187.3448  216.2040  259.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8094  216.4737  259.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8371  215.5467  259.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1341  216.0854  260.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4516  217.4773  260.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4232  218.3337  259.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1319  217.8514  259.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7652  218.1411  260.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8566  219.3406  260.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9811  217.3380  260.8316 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2951  218.0545  260.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1694  217.6807  259.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3054  218.4423  259.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5725  219.5825  260.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7433  219.9221  261.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6253  219.1356  261.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7601  219.4435  262.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9524  218.2347  263.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8082  217.0563  262.2633 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7558  213.9828  259.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7506  213.3200  260.2959 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5925  213.3271  259.5499 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2988  212.2816  258.4678 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.2380  212.6852  257.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2790  214.1468  256.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0975  214.7526  256.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0705  216.1034  255.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2183  216.8826  256.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3965  216.3020  256.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4273  214.9467  256.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3621  210.6406  258.7177 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.7285  210.1033  259.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5463  210.4390  260.5691 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1604  209.8037  261.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2655  208.2580  262.0920 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.2320  207.6354  263.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1511  206.0747  263.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0722  205.4006  262.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2132  206.1972  261.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5457  207.6838  261.4772 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0612  208.4290  260.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9578  209.9929  260.2036 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.2714  210.8896  260.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3259  210.2875  260.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3135  212.2733  260.2715 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4796  213.0558  259.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5747  213.2628  260.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1763  212.2997  258.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1292  214.4510  259.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3428  210.2976  259.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8754  216.6587  262.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.9836  213.2160  260.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4180  212.7452  260.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.3358  209.3275  259.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  1  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  6  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  1  0  0  0
 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 33 42  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  1  0  0  0
 35 40  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  1  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 53  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  0  0  0  0
 50 54  1  0  0  0  0
M  END
>  <CHROM.1>
-175.54130979,178.02052782,161.44081502,122.15186924,-35.77327858,-47.35474285
-55.35701885,-61.49035639,57.45024056,176.51420735,81.07733665,148.29367090
-78.41225040,191.70675696,213.83363001,259.98692781,1.17859151,-0.43890716
-0.25850060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447642/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.9044

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348

>  <SCORE.INTRA>
-14.4956

>  <SCORE.INTRA.DIHEDRAL>
-4.7903

>  <SCORE.INTRA.DIHEDRAL.0>
12.0078

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.70045

>  <SCORE.INTRA.VDW.0>
-2.13703

>  <SCORE.INTRA.norm>
-0.289912

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
50

>  <SCORE.norm>
0.0580881

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005809

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  215.3495  199.1770  249.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0090  199.7322  249.5115 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.8626  201.2516  249.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3501  201.6327  249.4381 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0445  203.1972  249.2055 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.4852  204.0506  250.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2736  204.9049  250.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0754  204.0183  250.4187 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.5059  203.5853  248.9788 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.7250  202.4567  248.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7089  201.5380  247.5481 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3693  200.6638  248.6416 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.8834  199.2001  248.2634 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.4021  199.0963  248.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1012  198.4637  247.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4091  198.0148  246.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9621  197.3138  245.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0593  198.6266  245.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3415  198.5920  246.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4044  198.2047  249.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3555  200.4270  249.5781 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.9909  200.8921  246.5144 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3091  204.7634  247.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7564  204.8189  250.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7406  206.0084  250.8852 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4633  204.1242  250.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1084  202.9217  251.3364 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3046  200.3507  246.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.4204  202.2726  251.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  1  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  6  0  0  0
 12 13  1  0  0  0  0
 12 21  1  1  0  0  0
 13 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  1  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 22 28  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
2.63911110,-175.47000366,-62.64021833,211.46260602,201.41552565,248.80099841
-1.00418057,-0.47249776,0.74185145

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447643/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.42497

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.237037

>  <SCORE.INTRA>
-3.97503

>  <SCORE.INTRA.DIHEDRAL>
-7.82805

>  <SCORE.INTRA.DIHEDRAL.0>
8.36432

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0610043

>  <SCORE.INTRA.VDW.0>
-0.495795

>  <SCORE.INTRA.norm>
-0.147223

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0898138

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002793

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  191.9710  210.7644  249.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2646  212.2340  249.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4398  213.0776  249.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5849  212.6864  249.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2267  213.7939  249.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5196  214.1600  249.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1791  213.4495  250.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5178  212.3879  251.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2462  211.9992  250.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7335  210.9122  251.6444 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4403  213.8758  251.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4060  212.8906  251.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2023  215.2216  249.2418 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5741  214.6063  248.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1417  215.3609  247.6165 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7732  211.0266  251.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0846  215.3471  249.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  3  0  0  0  0
M  END
>  <CHROM.1>
137.73627844,-179.58947354,-143.33668538,-36.43712275,194.52881032,213.14859149
250.00315159,3.11212618,-0.38612474,-0.63082208

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447644/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.07714

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-1.32286

>  <SCORE.INTRA.DIHEDRAL>
1.38166

>  <SCORE.INTRA.DIHEDRAL.0>
7.08877

>  <SCORE.INTRA.POLAR>
-0.203079

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.32322

>  <SCORE.INTRA.VDW.0>
2.67354

>  <SCORE.INTRA.norm>
-0.0881906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.405143

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000138

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  199.8913  221.2875  257.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0874  222.3799  258.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0816  223.7098  258.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1275  222.3871  260.2045 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.6506  223.3372  261.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6900  222.7625  259.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8857  221.8326  258.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3880  222.1423  258.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4801  222.1609  259.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4043  223.0762  259.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5898  223.1539  261.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8262  222.3185  262.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8785  221.4094  262.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6997  221.3327  260.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2904  223.4532  257.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6203  224.7133  258.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5049  225.8922  257.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0525  225.8542  256.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7263  224.6322  255.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8491  223.4492  256.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8896  220.9295  257.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8744  220.3265  258.0386 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5454  220.5285  256.5978 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0939  220.9874  260.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4757  220.3797  261.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1746  220.8764  262.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3952  221.0128  256.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1903  219.7290  256.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
169.99418013,63.84639886,53.68535828,179.69232946,-61.27720325,144.33361213
-65.60061701,125.58100635,196.39760406,222.46124013,259.15798791,-0.39091005
0.04888319,-1.04204543

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447645/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6334

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-1.76656

>  <SCORE.INTRA.DIHEDRAL>
-0.0775117

>  <SCORE.INTRA.DIHEDRAL.0>
2.36816

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.7278

>  <SCORE.INTRA.VDW.0>
7.79271

>  <SCORE.INTRA.norm>
-0.0679446

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.44744

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.079521

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  219.4912  182.7210  245.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7219  183.1395  245.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7767  184.0676  244.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5952  184.5791  243.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3624  184.1811  244.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3124  183.2534  245.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5666  185.3973  242.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4815  185.7372  241.8216 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8968  185.8735  240.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0809  185.9159  239.4725 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7680  185.4410  238.1916 S   0  0  1  0  0  0  0  0  0  0  0  0
  220.2402  185.8626  238.0993 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9372  185.9204  239.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2745  185.8464  240.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6871  185.6730  241.7400 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3159  186.0323  239.1445 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6163  184.0236  238.0085 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0494  186.2386  237.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6346  185.4605  242.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.6012  187.0010  239.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.8601  185.3584  239.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1869  187.1943  237.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 15  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  2  6  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <CHROM.1>
169.05203659,59.72867018,99.03486121,219.50844770,185.05510301,241.00724407
1.52076544,0.19842757,1.87661143

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447646/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.36073

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-2.03927

>  <SCORE.INTRA.DIHEDRAL>
-4.18069

>  <SCORE.INTRA.DIHEDRAL.0>
4.90688

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.051078

>  <SCORE.INTRA.VDW.0>
-0.831078

>  <SCORE.INTRA.norm>
-0.113293

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.297818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000170

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  203.2413  196.1166  248.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2768  196.2739  247.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1000  195.4375  246.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2018  194.6932  245.5328 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1552  193.4125  245.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0755  192.3356  246.6062 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.9819  192.5852  244.5642 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.1628  193.9463  243.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6237  194.4500  242.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0233  195.5764  241.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9610  196.2071  242.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4928  195.7084  243.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0935  194.5837  244.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5653  191.1747  246.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
115.37817426,-115.78760210,179.23253003,-0.77831191,90.36107739,202.23915899
194.30983704,245.06468293,0.15627922,-0.89273508,0.47100766

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447647/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33862

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-4.06138

>  <SCORE.INTRA.DIHEDRAL>
-6.63819

>  <SCORE.INTRA.DIHEDRAL.0>
8.49752

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.742291

>  <SCORE.INTRA.VDW.0>
-0.897792

>  <SCORE.INTRA.norm>
-0.312414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.487586

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000312

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  201.2328  219.7163  267.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2362  220.3195  268.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4579  219.2610  269.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6280  218.4516  268.3176 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9932  217.1812  267.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0737  216.6844  268.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0401  216.4907  266.9686 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6335  216.3548  267.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0247  217.1237  265.6553 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9697  218.4661  265.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5115  219.2987  266.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5201  218.7555  264.0354 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6684  219.6927  264.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9882  219.4190  263.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4503  218.1079  263.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3628  217.0287  263.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9530  217.4058  263.6328 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3535  216.4764  264.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3173  215.2695  264.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7386  220.5885  264.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8302  221.5813  264.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5780  221.0089  264.5032 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2262  222.8880  264.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5974  223.1779  264.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5346  222.1965  264.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1101  220.8999  264.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8925  222.3625  264.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4603  223.2986  265.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4140  219.2821  263.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8161  218.8680  267.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7251  221.4942  264.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  6  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-63.81845834,102.59732465,-60.40596790,-44.46826569,32.14620637,200.11535153
219.23926937,265.45188058,-0.14683415,0.79363675,1.48344664

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447648/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.32798

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-4.07202

>  <SCORE.INTRA.DIHEDRAL>
1.05159

>  <SCORE.INTRA.DIHEDRAL.0>
4.3347

>  <SCORE.INTRA.POLAR>
-0.31226

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.53613

>  <SCORE.INTRA.VDW.0>
1.24471

>  <SCORE.INTRA.norm>
-0.140414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.218206

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000064

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  188.4358  218.5545  245.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9817  219.5625  244.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5062  219.5064  244.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0188  220.5368  243.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5454  220.5130  243.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2302  220.9115  244.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5267  222.1917  244.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2012  222.6175  246.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5673  223.7753  246.3019 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3786  221.6119  247.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0752  220.2771  246.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6219  219.8504  245.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5730  218.6623  245.3364 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1967  219.3419  248.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6110  219.7447  249.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9483  221.0825  249.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8250  222.0127  248.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3652  221.5522  250.9303 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.1653  221.5483  251.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5235  220.7662  251.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6023  221.2455  251.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2723  219.4435  251.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0159  218.9411  252.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87604142,179.64096872,-63.97194676,-89.13665801,-70.85268165,119.35188148
179.63017389,193.68416158,220.66822184,247.40146895,2.43913161,-0.67535554
-1.07765984

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447649/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2118

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-1.18821

>  <SCORE.INTRA.DIHEDRAL>
-0.0102121

>  <SCORE.INTRA.DIHEDRAL.0>
2.32195

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.18311

>  <SCORE.INTRA.VDW.0>
-0.324077

>  <SCORE.INTRA.norm>
-0.0540097

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.464172

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023903

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  217.9140  189.0499  251.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6367  189.7880  251.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4523  189.3099  251.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1786  190.0692  251.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3137  191.4797  251.9461 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0539  192.1913  251.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1558  193.6077  252.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8076  194.5502  251.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3260  194.4605  251.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7535  193.2581  250.7133 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0506  191.9079  251.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.7245  193.2333  250.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
179.59295224,-65.95214192,-173.64694453,172.06542094,83.90627336,-82.83907739
74.94603366,179.83777216,215.00348583,191.78872037,251.52801806,-1.03192740
0.25274277,-0.13800591

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447658/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.2329

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.24

>  <SCORE.INTRA>
-1.16711

>  <SCORE.INTRA.DIHEDRAL>
4.90737

>  <SCORE.INTRA.DIHEDRAL.0>
0.00473332

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.220798

>  <SCORE.INTRA.VDW.0>
-0.488161

>  <SCORE.INTRA.norm>
-0.116711

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.12329

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009294

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  219.9920  183.6933  240.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1222  185.0317  241.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7905  184.8089  242.3730 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0222  185.9058  243.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5387  187.0158  242.9336 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8438  185.5985  244.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7684  184.5547  244.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5656  184.4526  245.8390 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.7276  185.7624  246.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8631  186.3392  245.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0501  187.5505  245.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4036  188.1067  247.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7643  187.0420  248.4140 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.9620  186.2157  247.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5611  186.2106  249.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8096  185.3102  248.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0625  185.2953  250.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5310  187.1820  249.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0842  183.6558  243.3129 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0463  182.6532  243.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7408  182.3907  244.3546 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2349  181.8777  242.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9919  180.7296  241.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8970  180.3508  240.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4322  179.3131  239.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1120  179.2659  238.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2708  180.2249  237.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7220  181.2621  238.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0647  181.2923  240.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6564  182.2240  240.9685 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5890  183.7728  242.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 30  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
178.86007466,10.60464245,27.89778879,178.08243691,64.11931278,-171.16390960
222.50339942,184.11276168,243.95607027,1.13883485,0.75849366,-1.88111332

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447661/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.49695

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-3.90305

>  <SCORE.INTRA.DIHEDRAL>
-3.06081

>  <SCORE.INTRA.DIHEDRAL.0>
6.23655

>  <SCORE.INTRA.POLAR>
-0.394723

>  <SCORE.INTRA.POLAR.0>
-0.0335824

>  <SCORE.INTRA.REPUL>
0.0179549

>  <SCORE.INTRA.REPUL.0>
0.10859

>  <SCORE.INTRA.VDW>
-1.12037

>  <SCORE.INTRA.VDW.0>
1.31291

>  <SCORE.INTRA.norm>
-0.130102

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.249898

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  191.8854  214.7612  255.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6681  214.4146  254.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1911  215.2637  253.7840 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6962  213.0668  254.2196 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5551  212.5000  253.1560 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2401  211.2034  253.6537 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.8938  209.9633  252.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0875  209.9448  251.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4819  211.0453  251.3349 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7958  212.3622  251.7987 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.4838  213.1730  250.6603 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9702  212.7708  249.2570 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4662  213.7219  248.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8353  214.9976  248.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3890  211.4332  248.9151 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3406  214.5812  250.8492 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8178  208.6395  251.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1000  207.5429  251.6299 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2368  208.8401  249.9752 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9381  210.9886  255.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5136  212.4325  254.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0187  215.2995  249.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.9367  210.8236  249.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6404  214.8206  251.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0563  207.9897  249.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4310  210.1950  255.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 21  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  1  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  6  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <CHROM.1>
-171.82727707,136.81069144,-176.71288818,12.42181144,165.49586063,170.38325925
52.22373299,-69.52428631,66.16029487,55.41651756,179.82083046,193.09430293
212.07843620,251.80815433,-2.10366651,1.54476976,-1.92186207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447663/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.26207

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-10.1379

>  <SCORE.INTRA.DIHEDRAL>
-4.40387

>  <SCORE.INTRA.DIHEDRAL.0>
10.0809

>  <SCORE.INTRA.POLAR>
-1.92822

>  <SCORE.INTRA.POLAR.0>
-1.61972

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.38005

>  <SCORE.INTRA.VDW.0>
0.363291

>  <SCORE.INTRA.norm>
-0.506897

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.0631034

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002947

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  202.2148  189.9599  260.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5065  190.3170  258.7361 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9689  191.5867  258.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5788  192.1394  257.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9660  193.4331  256.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7411  194.1762  257.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1503  193.6286  259.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7597  192.3343  259.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1292  195.4664  257.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5687  193.9800  255.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8803  195.1750  255.1524 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3106  195.2382  253.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6660  194.0503  253.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8350  193.2787  254.6984 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0273  193.8215  252.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0560  194.8643  251.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6842  196.0820  251.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3119  196.2816  252.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4235  194.6930  250.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8389  193.5950  249.7034 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4422  195.6960  249.1464 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7968  195.6999  256.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.5058  192.3287  254.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9266  192.8636  250.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3261  195.9975  248.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8018  196.4498  249.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <CHROM.1>
-147.35781745,-179.14569847,-2.32895434,-0.57430902,65.05566490,202.23312352
193.77188031,255.05340740,1.07619623,0.99234874,2.34642137

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447664/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.8419

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.5581

>  <SCORE.INTRA.DIHEDRAL>
-4.16189

>  <SCORE.INTRA.DIHEDRAL.0>
6.0496

>  <SCORE.INTRA.POLAR>
-0.0708803

>  <SCORE.INTRA.POLAR.0>
-0.892614

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.236168

>  <SCORE.INTRA.VDW.0>
1.18998

>  <SCORE.INTRA.norm>
-0.121814

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.325805

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002263

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  220.4020  186.1397  236.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0341  184.6620  236.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5181  184.4902  236.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1442  183.0804  236.6242 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6861  182.8627  236.4752 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2867  181.3758  236.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6009  180.3890  237.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8526  179.7657  237.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1591  178.9310  238.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2048  178.6876  239.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9381  179.2573  239.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6350  180.0970  238.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9277  183.4372  237.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8493  184.2972  237.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5841  184.4498  239.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5380  183.7075  239.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3718  183.1086  238.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4358  182.6516  237.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  1  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.85496387,-178.03717194,167.69464643,63.64308432,128.39399308,-86.34895594
217.04115192,182.34801753,237.79813240,-1.18879210,-0.44409046,3.01670575

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447665/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.84603

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-1.55397

>  <SCORE.INTRA.DIHEDRAL>
-0.895252

>  <SCORE.INTRA.DIHEDRAL.0>
2.36661

>  <SCORE.INTRA.POLAR>
0.0338869

>  <SCORE.INTRA.POLAR.0>
-0.0338869

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.22156

>  <SCORE.INTRA.VDW.0>
-1.98321

>  <SCORE.INTRA.norm>
-0.0914103

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.579178

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001474

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  202.0292  208.0206  249.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7930  207.3046  250.7544 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.9858  207.6398  251.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0725  205.9200  250.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2446  208.1914  250.8053 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2826  209.6093  251.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8690  209.7692  252.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8176  209.1134  253.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9512  208.6761  254.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9194  209.3314  255.9006 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1811  207.5597  254.5957 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6250  206.2487  254.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6682  205.2534  253.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1205  203.9703  254.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5001  203.6713  255.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4616  204.6635  256.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0539  205.9497  256.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0148  206.8991  257.1175 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.4564  207.4370  250.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7229  206.6774  252.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9149  205.9591  252.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8314  205.9886  251.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5524  206.7387  249.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3612  207.4597  249.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2622  205.0367  253.4898 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.4799  207.6396  253.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
74.13033198,63.84726107,-66.30623817,65.03681163,-148.47957834,-101.92847008
91.63994915,-124.63131508,204.54670421,206.88210438,252.89855451,1.60405103
0.66697528,-1.27157933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447674/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.60174

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.536

>  <SCORE.INTRA>
-6.79826

>  <SCORE.INTRA.DIHEDRAL>
1.23134

>  <SCORE.INTRA.DIHEDRAL.0>
6.59846

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.01393

>  <SCORE.INTRA.VDW.0>
-2.69206

>  <SCORE.INTRA.norm>
-0.271931

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.264069

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  199.8356  214.2482  247.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1285  214.4900  246.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7076  215.7437  247.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9995  216.7687  247.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5667  218.0361  247.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8582  219.0678  248.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5640  218.8342  249.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9869  217.5687  248.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6890  216.5288  248.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1206  215.2592  248.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5099  220.4013  248.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6413  220.4859  248.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8231  221.4218  249.2495 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3130  222.7457  249.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5890  223.6557  250.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0850  224.9389  250.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3003  225.3322  249.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0084  224.4659  249.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5128  223.1835  248.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9337  226.8960  250.2652 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.0769  223.2082  250.9371 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.9998  221.1797  249.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-2.75343347,-172.61995496,201.02195109,220.85043200,249.06065745,1.74680493
-0.44762197,-2.81105575

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447675/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.85928

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-1.54072

>  <SCORE.INTRA.DIHEDRAL>
-4.45316

>  <SCORE.INTRA.DIHEDRAL.0>
4.6585

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.68586

>  <SCORE.INTRA.VDW.0>
-0.137466

>  <SCORE.INTRA.norm>
-0.0733677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.279013

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001916

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 17  0  0  0  0  0  0  0  0999 V2000
  201.8505  214.4795  253.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5131  215.7484  253.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6274  215.9255  255.1378 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.2290  214.3343  255.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2338  213.6555  254.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6503  213.7357  256.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1693  214.2333  257.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6046  213.2614  259.1859 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4956  212.1966  258.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5060  212.5947  256.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3642  211.8944  255.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8100  212.4750  254.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5002  211.5530  253.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6175  210.3177  254.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9453  210.2921  255.9959 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
22.64432997,22.51619099,203.22632924,213.12340829,255.89018035,-2.83881454
-0.91264845,1.76970151

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447676/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.82709

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.572908

>  <SCORE.INTRA.DIHEDRAL>
-2.62847

>  <SCORE.INTRA.DIHEDRAL.0>
5.97711

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.741325

>  <SCORE.INTRA.VDW.0>
-2.05942

>  <SCORE.INTRA.norm>
-0.0381939

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.455139

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008478

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  205.2513  203.7633  243.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4651  203.0577  244.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0028  202.6465  246.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3359  202.9387  246.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1189  203.6638  245.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5788  204.0654  244.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9862  202.5201  248.0838 P   0  0  0  0  0  0  0  0  0  0  0  0
  206.2930  203.8957  249.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4696  203.7877  250.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9797  204.7716  251.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3049  205.8781  250.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1138  205.9977  249.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6072  205.0127  248.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9145  201.1305  248.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5928  201.2861  249.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8585  200.1625  249.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4357  198.8886  249.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7461  198.7338  249.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4781  199.8488  248.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-78.06047836,172.49437288,-75.11611895,205.74443183,202.72538850,248.08325838
0.48407303,-1.44574440,-2.00073853

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447677/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.2003

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-0.199695

>  <SCORE.INTRA.DIHEDRAL>
-0.219263

>  <SCORE.INTRA.DIHEDRAL.0>
11.53

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0900636

>  <SCORE.INTRA.VDW.0>
-2.34458

>  <SCORE.INTRA.norm>
-0.0105103

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.431595

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013646

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  228.6981  181.0401  243.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9732  179.9721  244.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7272  180.1854  244.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1388  179.1027  245.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7422  177.8478  245.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9556  177.6380  244.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5663  178.6839  244.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0806  178.2899  243.5261 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.9489  181.3776  244.8824 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.7430  181.6598  245.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9801  180.9376  246.1134 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2750  183.1147  245.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9577  183.9180  244.7227 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0706  183.2803  246.0063 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3771  184.4435  246.0065 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2450  184.4093  246.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3576  185.5902  246.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7110  186.7985  246.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9079  187.9247  246.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7438  187.8338  247.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3684  186.6102  247.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1688  185.4806  247.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7576  186.4898  248.5807 Br  0  0  0  0  0  0  0  0  0  0  0  0
  221.7408  186.7750  245.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8417  187.6306  245.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5184  187.1214  246.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6688  186.3265  246.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2792  185.8432  247.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7565  186.1636  249.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6350  186.9852  249.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0224  187.4670  247.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3309  182.1840  244.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.6742  182.4421  246.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-179.95110600,0.47951255,177.51368527,-0.28856639,-121.95769996,66.73449495
98.79739738,223.13307993,183.88652018,246.29594045,-0.67703387,0.24225038
0.14043583

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447678/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4793

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-5.9207

>  <SCORE.INTRA.DIHEDRAL>
-2.04765

>  <SCORE.INTRA.DIHEDRAL.0>
6.72614

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.89688

>  <SCORE.INTRA.VDW.0>
2.06072

>  <SCORE.INTRA.norm>
-0.19099

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.20901

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  198.0690  213.9025  246.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1372  214.2303  247.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2483  215.1624  248.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2834  215.7900  247.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2140  215.4428  246.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1024  214.5027  245.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3801  216.7643  247.9860 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3770  217.2797  249.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1546  216.9862  250.1632 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3892  218.2267  249.4677 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1389  217.7177  249.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3045  216.9255  249.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8994  217.8326  247.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0904  217.0884  246.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7648  217.9451  245.7893 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.7527  217.1899  247.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3429  218.9776  248.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
4.27105877,92.71147212,-72.87864599,-62.31153517,178.65444844,-179.99269246
194.73751227,216.48384083,247.85286976,0.24454111,0.41002470,-1.99627692

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447679/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.12726

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-2.27274

>  <SCORE.INTRA.DIHEDRAL>
-0.140809

>  <SCORE.INTRA.DIHEDRAL.0>
0.914409

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.20234

>  <SCORE.INTRA.VDW.0>
0.848312

>  <SCORE.INTRA.norm>
-0.151516

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.608484

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000933

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  192.1722  209.3208  251.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1703  209.9678  251.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9619  211.3096  250.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9516  212.2299  251.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7356  213.5803  251.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5568  214.0245  250.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5876  213.1083  249.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7964  211.7514  249.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3622  215.3463  250.0325 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3420  216.2763  251.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4878  215.9580  252.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7004  214.5564  252.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8415  214.2383  253.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1537  217.6936  250.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1461  218.0693  249.7606 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.9888  217.8559  249.9245 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
62.87405913,-59.18676109,192.53713749,214.21071931,251.02184701,-0.57861034
-1.46814640,0.85945599

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447680/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.35433

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-1.04567

>  <SCORE.INTRA.DIHEDRAL>
2.65969

>  <SCORE.INTRA.DIHEDRAL.0>
1.78856

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.37551

>  <SCORE.INTRA.VDW.0>
2.5376

>  <SCORE.INTRA.norm>
-0.0653544

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.397146

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001989

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  200.3580  189.5705  248.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6467  190.0960  248.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6075  189.0404  248.1510 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8450  189.3604  247.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1314  190.4975  246.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4190  190.8001  246.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4439  189.9444  246.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3002  188.6750  247.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3052  187.7835  247.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5818  187.8604  246.7606 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6231  186.9906  247.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8113  185.8832  246.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1747  185.6971  245.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8133  184.8813  246.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3397  184.3212  248.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8941  184.3106  248.2849 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0614  183.3387  247.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3967  182.2353  247.3834 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6603  183.9595  247.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8156  185.0118  248.6557 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1538  185.2971  248.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5538  186.2753  249.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4987  183.0287  247.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5598  184.5437  246.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9514  188.3274  247.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7567  187.2683  248.3532 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8803  188.7406  246.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1737  187.1870  247.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1100  185.6925  248.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
179.36702087,-12.55357326,92.27088814,61.77102320,27.98479002,82.72817259
206.67786132,186.68823255,247.54480656,2.46204121,0.26558301,-0.23727797

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447681/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.09598

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-5.30402

>  <SCORE.INTRA.DIHEDRAL>
2.88192

>  <SCORE.INTRA.DIHEDRAL.0>
4.9315

>  <SCORE.INTRA.POLAR>
-0.999773

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.34575

>  <SCORE.INTRA.VDW.0>
0.439517

>  <SCORE.INTRA.norm>
-0.204001

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.234461

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  219.2919  201.6675  254.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7851  201.3838  254.1435 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.5134  200.2952  255.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8184  200.4055  256.4432 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3865  199.2709  257.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5290  199.0247  258.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0153  197.8459  259.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3701  196.9113  258.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2243  197.1274  256.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7381  198.3149  256.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7019  198.8586  254.7055 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.0279  202.6874  254.4780 N   0  3  1  0  0  0  0  0  0  0  0  0
  217.4668  203.0340  255.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1450  203.7504  253.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5642  202.4456  254.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3247  201.9143  256.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7513  202.4751  257.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2687  201.4962  258.7495 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.5352  200.3786  257.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6256  200.7256  256.3898 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8700  199.1554  258.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8619  198.7754  259.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2568  197.5809  259.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6514  196.7499  258.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6472  197.1123  257.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2544  198.3050  257.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
59.55574159,-52.95253098,76.51735349,55.56801323,-4.13575173,215.85945215
199.88569187,256.78548103,-0.86701349,-0.70024120,2.85901521

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447682/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.22716

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-6.17284

>  <SCORE.INTRA.DIHEDRAL>
-1.24194

>  <SCORE.INTRA.DIHEDRAL.0>
6.03085

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.55187

>  <SCORE.INTRA.VDW.0>
-0.52299

>  <SCORE.INTRA.norm>
-0.246914

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.169086

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000178

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  198.7055  198.2434  256.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5934  199.3032  255.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1280  199.8048  254.3184 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7767  200.5481  254.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7145  199.9999  253.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4136  200.6986  253.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9507  201.1317  252.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7211  201.7871  252.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9391  202.0063  253.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3887  201.5791  254.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6230  200.9314  254.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8624  198.8038  252.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6673  198.1648  252.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6432  201.9312  254.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7663  202.1127  256.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2931  200.5531  253.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8312  200.1736  252.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6471  201.6950  254.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7090  202.4178  253.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
64.43809290,-113.91767278,116.07416131,-67.02843584,113.07117029,168.90611255
-178.76663228,197.39901554,200.60248957,253.99879658,0.01860272,0.16622989
-2.91268519

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447683/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.99913

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-5.40087

>  <SCORE.INTRA.DIHEDRAL>
-11.2732

>  <SCORE.INTRA.DIHEDRAL.0>
24.4409

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0149371

>  <SCORE.INTRA.REPUL.0>
0.0149371

>  <SCORE.INTRA.VDW>
0.310421

>  <SCORE.INTRA.VDW.0>
1.53194

>  <SCORE.INTRA.norm>
-0.284256

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.368375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039330

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  209.3436  199.0197  255.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2998  197.6196  255.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5765  197.3449  253.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4777  196.0411  253.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1543  194.9901  253.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8750  195.2753  255.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9499  196.5727  255.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7962  193.9070  256.1319 Br  0  0  0  0  0  0  0  0  0  0  0  0
  209.1212  193.6650  253.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4949  193.2826  252.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0039  193.4197  252.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4675  194.8318  251.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4525  195.6672  252.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7458  196.9993  252.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1866  197.7784  251.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5658  199.1180  251.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4913  199.7020  252.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0098  198.9618  253.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6444  197.6213  253.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2793  197.1135  254.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7162  195.7675  254.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2044  197.2310  250.9263 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4605  197.2378  249.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6020  195.8788  252.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
56.24748046,72.30165363,-83.14061623,76.62369183,-174.77516624,45.84434598
-124.53189288,35.68615734,210.69425843,195.99960602,253.75803043,-1.30988912
0.86786738,2.23759373

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447684/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.18218

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-9.21782

>  <SCORE.INTRA.DIHEDRAL>
2.37338

>  <SCORE.INTRA.DIHEDRAL.0>
11.9179

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.4045

>  <SCORE.INTRA.VDW.0>
6.09613

>  <SCORE.INTRA.norm>
-0.384076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.174257

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  222.0331  190.5682  247.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6912  190.8851  246.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4737  192.1233  246.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2248  192.4319  245.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1855  191.5010  245.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3972  190.2701  246.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6407  189.9616  246.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9914  193.7417  245.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8386  194.0354  244.4913 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6940  195.2612  243.9053 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4367  195.6261  243.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4452  194.8961  243.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3356  197.0629  242.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7324  198.1416  243.9220 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2248  197.8474  245.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2042  196.9956  246.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7362  196.7834  247.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4712  198.1121  248.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4084  198.8984  247.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8198  199.1312  246.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4158  198.5565  243.8141 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.1981  197.3701  244.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6178  199.2919  242.5857 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7596  199.6963  245.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2150  200.9839  245.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2837  201.7878  246.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8980  201.3104  247.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4533  200.0312  247.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3728  199.2155  246.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4884  195.8868  243.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-179.72854007,-175.71669932,-55.27889435,-41.10962304,88.02725516,-60.00258530
-68.72280094,218.09920837,196.42326391,245.45597543,-1.18601899,-0.97758138
0.24763730

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447686/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.46572

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-4.93428

>  <SCORE.INTRA.DIHEDRAL>
1.02698

>  <SCORE.INTRA.DIHEDRAL.0>
3.27384

>  <SCORE.INTRA.POLAR>
-0.939396

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.25382

>  <SCORE.INTRA.VDW.0>
-2.44855

>  <SCORE.INTRA.norm>
-0.170147

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.257439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  224.0509  189.7781  253.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6157  188.8601  252.4937 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.8602  188.1096  252.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9103  188.0745  252.3045 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7029  187.3866  254.1170 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.2390  186.0686  254.0169 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0667  185.7346  254.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4219  186.5399  255.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5923  184.3306  254.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4198  183.9477  255.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9735  182.6224  255.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6849  181.6783  254.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8537  182.0632  253.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3098  183.3815  253.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7549  182.2102  255.7989 N   0  3  0  0  0  0  0  0  0  0  0  0
  220.1472  183.0725  256.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4040  181.0251  255.7009 O   0  5  0  0  0  0  0  0  0  0  0  0
  223.2619  187.5234  252.0356 Br  0  0  0  0  0  0  0  0  0  0  0  0
  226.1919  187.6269  254.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.7331  185.4692  253.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
>  <CHROM.1>
-129.27858930,88.30677608,-120.64344912,178.56768898,223.44951758,185.66077640
253.78457673,1.11920458,0.13378358,-0.36495828

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447687/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34767

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-3.05233

>  <SCORE.INTRA.DIHEDRAL>
-2.53391

>  <SCORE.INTRA.DIHEDRAL.0>
4.3257

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78538

>  <SCORE.INTRA.VDW.0>
-0.423848

>  <SCORE.INTRA.norm>
-0.169574

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.352648

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000080

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  188.3367  220.5103  251.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5497  220.8147  250.9347 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4044  221.8303  251.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7142  221.3906  251.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5952  222.1748  252.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2566  223.4867  252.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9738  223.9533  252.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0502  223.1331  251.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8653  223.7775  251.6087 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1787  223.7362  250.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6964  225.1993  253.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7535  225.2476  254.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7481  221.5684  253.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5437  220.6854  252.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5102  220.1620  251.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6770  220.4650  250.1758 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5248  219.2110  250.7717 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3253  218.9649  251.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6044  217.9744  252.3085 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.8635  220.0048  253.2547 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.4828  218.5654  249.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1027  218.0029  248.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1680  216.8514  248.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8415  218.6209  248.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7863  217.7546  247.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7355  216.2677  247.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6721  215.4237  246.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8297  216.4997  246.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5869  217.7015  247.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5845  218.3868  247.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0773  216.5238  245.6031 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3773  215.4288  246.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6081  214.6466  246.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6225  219.5715  248.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 33  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
121.69654042,44.91764939,-110.72776044,-44.12098209,-48.85834194,-128.23482337
6.74985891,192.20056614,219.80096421,250.35704168,1.39560398,-0.36098523
0.66214717

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447688/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.15582

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-19.5558

>  <SCORE.INTRA.DIHEDRAL>
-8.77802

>  <SCORE.INTRA.DIHEDRAL.0>
26.8259

>  <SCORE.INTRA.POLAR>
-0.338055

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-14.0174

>  <SCORE.INTRA.VDW.0>
13.9187

>  <SCORE.INTRA.norm>
-0.5926

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
-0.216843

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000007

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  201.7978  215.5028  256.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7888  216.8689  256.5549 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6181  217.5341  256.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6191  217.0345  257.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7376  218.9026  256.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8342  219.9439  256.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4984  221.0549  255.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7828  220.6541  255.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9121  219.3350  255.7851 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8182  221.4085  254.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0105  220.8542  254.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0520  221.6095  253.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3371  221.1956  253.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0206  222.2982  252.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1172  223.3279  253.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9368  222.9414  253.5708 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2070  224.6885  252.6040 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.2885  225.0377  252.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2145  225.4112  252.7591 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
>  <CHROM.1>
-0.61519059,179.27924133,-179.87126515,-179.73797848,203.36275230,220.82222949
254.78969760,-2.25036792,0.33893834,-0.28915556

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447689/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.38647

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-0.0135308

>  <SCORE.INTRA.DIHEDRAL>
-0.0293989

>  <SCORE.INTRA.DIHEDRAL.0>
0.0323029

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00116862

>  <SCORE.INTRA.VDW.0>
0.950065

>  <SCORE.INTRA.norm>
-0.000712149

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.494025

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  213.6279  179.4243  255.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8338  180.7354  255.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5306  180.7783  254.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3835  179.9294  253.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3352  179.2352  254.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3196  179.8297  252.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3651  180.5807  251.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5093  181.4395  252.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5931  181.5475  253.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1924  180.5375  250.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2969  181.2619  249.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4413  182.0342  249.8771 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3653  180.9783  247.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8556  181.7051  247.1798 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.9252  181.9016  248.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6404  180.7970  248.9016 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3883  180.7324  250.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4552  181.7851  250.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8017  183.0022  250.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9259  184.1937  251.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1715  185.3354  251.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3027  185.3444  250.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2175  184.2244  249.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9694  183.0430  249.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2345  181.5208  252.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2796  180.5736  252.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8944  180.2164  253.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5438  180.8789  254.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6120  181.9061  254.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9600  182.2208  253.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1184  180.5296  255.7286 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.8502  179.9540  249.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-178.57751277,-73.17213801,21.13735870,85.90594367,27.50557381,214.06083945
181.52981258,251.62638607,1.06709931,0.23077578,1.96848804

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447698/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.30313

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-5.09687

>  <SCORE.INTRA.DIHEDRAL>
0.861159

>  <SCORE.INTRA.DIHEDRAL.0>
5.01381

>  <SCORE.INTRA.POLAR>
-0.151624

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.01193

>  <SCORE.INTRA.VDW.0>
-1.28687

>  <SCORE.INTRA.norm>
-0.164415

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.171069

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  195.4636  213.4815  255.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2123  212.5854  256.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5375  213.4822  257.2074 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.3724  213.9719  254.3907 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6902  214.9406  253.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6763  215.5639  252.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9751  216.4211  253.3918 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.6979  213.1829  253.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
59.77659099,-174.23964556,173.74858943,-60.32768131,196.92266096,214.52294218
254.87504766,1.68066425,0.57785045,2.16552936

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447699/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.89908

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.34286

>  <SCORE.INTRA>
-0.500923

>  <SCORE.INTRA.DIHEDRAL>
0.108022

>  <SCORE.INTRA.DIHEDRAL.0>
0.000461291

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.554934

>  <SCORE.INTRA.VDW.0>
-0.401958

>  <SCORE.INTRA.norm>
-0.0715605

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.2713

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044247

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 20  0  0  0  0  0  0  0  0999 V2000
  205.7982  209.2426  253.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0999  210.5766  254.5399 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.1179  209.7904  253.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0760  210.6409  256.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2952  210.6623  256.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3320  210.6372  258.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1425  210.5900  258.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8776  210.5984  258.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8566  210.6471  256.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6021  210.7045  256.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4074  210.7428  256.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4110  210.6734  258.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1914  210.7014  258.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1555  210.5919  260.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3422  210.4462  261.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5591  210.4391  260.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6416  210.5695  258.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
103.08509982,204.50917844,210.46722965,257.48056033,0.83911192,-0.00042424
-1.66807813

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447700/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34118

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-0.058824

>  <SCORE.INTRA.DIHEDRAL>
0.00222672

>  <SCORE.INTRA.DIHEDRAL.0>
0.711142

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0599374

>  <SCORE.INTRA.VDW.0>
-0.553392

>  <SCORE.INTRA.norm>
-0.00346024

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.37301

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.208163

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  190.2919  213.7628  262.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0830  214.3756  262.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6448  214.0338  261.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2617  213.8971  261.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6867  213.5725  259.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4866  213.4063  258.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8757  213.5405  258.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4509  213.8551  260.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8656  213.0392  257.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3774  214.1924  256.7242 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2316  215.0114  256.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4327  214.7624  255.9133 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6043  216.2064  255.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2863  216.4984  255.5788 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1014  217.6266  254.8470 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.8463  218.3661  254.8602 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.9350  219.6594  254.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2841  220.3712  254.1900 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.3208  219.3984  253.8148 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2743  218.1556  254.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2388  217.2235  254.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0575  217.3703  254.2184 Br  0  0  0  0  0  0  0  0  0  0  0  0
  185.4426  220.9790  255.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3399  222.3046  255.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6238  222.4974  257.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8953  221.3104  257.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7801  219.9734  256.9262 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.6409  217.5450  254.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4719  218.2143  254.4110 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.8404  217.0598  253.1707 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.4521  216.4577  255.2152 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.4309  214.5304  256.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2369  219.8181  253.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  1  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
141.96524743,84.54429636,79.05623550,2.00187584,-179.14419466,-103.70139725
186.47724707,217.07099196,256.36547430,-1.02748862,-0.44689104,-0.54455682

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447701/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.00575

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-4.39425

>  <SCORE.INTRA.DIHEDRAL>
-2.76885

>  <SCORE.INTRA.DIHEDRAL.0>
6.82525

>  <SCORE.INTRA.POLAR>
0.000325

>  <SCORE.INTRA.POLAR.0>
-0.0556289

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.01093

>  <SCORE.INTRA.VDW.0>
0.0535138

>  <SCORE.INTRA.norm>
-0.14175

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.225992

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000116

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  207.7549  202.1722  242.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7846  202.7746  243.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8880  203.9037  243.1883 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9011  204.3645  244.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0583  203.6131  244.7234 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0542  205.6693  244.6337 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9680  206.3083  243.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7855  205.4176  242.7204 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.3964  207.5937  244.1555 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0585  208.4678  245.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0262  208.2028  246.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6920  209.1095  247.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3761  210.3131  247.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4012  210.6205  246.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7293  209.6965  245.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1356  211.9244  246.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2293  207.8521  243.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
176.13558775,9.59050064,-12.07615842,206.01823214,206.70127044,244.66791067
-1.53737332,0.64099800,0.40386266

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447702/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.1445

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-3.2555

>  <SCORE.INTRA.DIHEDRAL>
-6.19334

>  <SCORE.INTRA.DIHEDRAL.0>
9.2819

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.158833

>  <SCORE.INTRA.VDW.0>
-0.568653

>  <SCORE.INTRA.norm>
-0.203469

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.321531

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  191.8824  218.0599  251.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8933  216.5746  251.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4959  216.0839  250.4021 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2427  215.6755  252.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2745  214.3458  252.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5089  213.7434  253.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3993  212.5513  253.4939 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9329  214.8089  253.9683 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4637  216.0894  253.5404 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3306  216.7372  254.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0744  218.0528  255.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8700  218.6423  256.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9173  217.9479  256.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1804  216.6395  256.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3971  216.0411  255.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6222  219.9047  256.3831 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.1207  214.6610  255.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5780  215.7925  255.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7285  215.6486  256.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4723  214.3774  257.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0334  213.2501  256.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8350  213.3887  255.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6571  214.1907  258.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8605  213.6289  251.1569 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3404  215.0559  258.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2909  214.2707  250.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-178.09316992,0.88866854,-179.62882298,120.00680223,-0.68896349,190.54313050
215.72851221,254.53007561,-0.36087370,0.83300431,0.85486070

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447703/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.03327

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-4.36673

>  <SCORE.INTRA.DIHEDRAL>
-11.863

>  <SCORE.INTRA.DIHEDRAL.0>
12.8874

>  <SCORE.INTRA.POLAR>
-0.0531642

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.74554

>  <SCORE.INTRA.VDW.0>
-2.5727

>  <SCORE.INTRA.norm>
-0.181947

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.168053

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005083

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  222.2699  200.8675  238.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9090  199.8072  239.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0900  198.5214  239.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7305  197.4602  239.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9164  196.1723  239.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5575  195.1166  240.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7434  193.8307  240.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3533  192.7839  241.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4788  191.5391  241.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0513  190.4750  242.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1010  189.3036  242.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3219  188.2428  242.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8307  189.5193  243.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0269  189.1428  245.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0052  190.0930  245.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4554  191.4794  245.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0567  192.5362  245.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4768  193.9282  245.2592 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.5244  194.8889  245.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9997  194.3695  243.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8577  193.4912  243.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4251  193.8981  241.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3192  192.9870  241.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.84421817,-179.50314729,-179.78584397,-179.94171671,-178.22220869,176.59168969
-179.46341550,175.05045031,104.48803881,-90.54923073,66.93239967,64.42042289
-119.84631708,126.50381377,63.39389258,-177.77276956,178.53568754,221.02037795
193.52581480,242.38716723,0.97885862,1.25090675,0.05135683

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447704/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.9903

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.973913

>  <SCORE.INTRA>
-3.4097

>  <SCORE.INTRA.DIHEDRAL>
-0.238581

>  <SCORE.INTRA.DIHEDRAL.0>
4.01578

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.29041

>  <SCORE.INTRA.VDW.0>
-1.38035

>  <SCORE.INTRA.norm>
-0.148248

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.825665

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017894

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 51  0  0  0  0  0  0  0  0999 V2000
  202.1416  222.0679  255.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4531  221.3727  255.3103 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3766  222.1298  254.3047 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.8865  222.3139  252.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7177  221.0156  252.0660 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4900  220.8830  251.1060 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9205  219.8018  250.0278 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.2500  219.3384  250.6655 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.8407  220.5866  251.1959 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0801  218.0588  250.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9218  217.0194  251.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8350  216.7427  252.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2556  216.1023  253.6139 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.7182  215.9209  253.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0715  216.4649  252.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7304  215.3756  254.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7085  216.2605  255.4496 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8823  216.2488  256.4275 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4581  217.4013  257.4131 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6125  218.3492  256.4594 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.7609  217.6809  255.1681 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8642  219.8624  256.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5568  220.4563  255.5535 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4907  221.1320  256.4506 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.0584  220.3937  257.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0163  219.2861  257.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4738  218.2297  256.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4730  218.3512  255.2481 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9362  217.1169  257.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6944  221.4315  254.4399 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5314  216.9266  258.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9989  217.9022  259.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0625  217.2926  260.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3204  217.1456  261.8267 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8722  216.9443  260.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2077  214.8588  256.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3617  214.9757  254.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6754  213.6995  254.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3874  217.0802  252.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6252  220.3360  248.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8447  219.8912  247.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2436  220.4430  251.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6600  220.3928  251.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1450  218.0203  254.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2526  216.3949  256.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4084  222.1236  254.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7806  217.1261  259.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3 30  1  0  0  0  0
  3  4  1  6  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  1  0  0  0
  7  8  1  0  0  0  0
  7 40  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  6  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  1  0  0  0
 19 20  1  0  0  0  0
 19 31  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  6  0  0  0
 21 44  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 47  1  0  0  0  0
 37 38  2  0  0  0  0
 40 41  2  0  0  0  0
M  END
>  <CHROM.1>
-120.13765563,121.04261537,-178.88511661,34.95820848,58.32781811,-80.77631594
-179.71698637,176.84108045,111.49878742,0.46071677,204.62843384,218.44828795
254.70262092,2.37381092,1.15536955,-2.00344761

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447705/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.36678

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.319048

>  <SCORE.INTRA>
-8.03322

>  <SCORE.INTRA.DIHEDRAL>
1.59575

>  <SCORE.INTRA.DIHEDRAL.0>
4.49519

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.4311

>  <SCORE.INTRA.VDW.0>
-0.952842

>  <SCORE.INTRA.norm>
-0.191267

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.12778

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016678

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  178.7462  214.5429  258.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9897  213.8809  258.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7825  212.7475  257.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8501  212.0301  256.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1473  212.4289  257.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3740  213.5447  258.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3109  214.3000  258.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6667  215.4784  259.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0521  215.1352  260.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9810  214.4366  261.6090 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.8213  213.0948  261.1056 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.1090  214.9718  261.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.0310  212.6233  261.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.6419  212.5045  261.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
97.88162768,-59.43449131,70.65243860,-175.76700567,180.95240533,213.80152203
259.03484555,1.64714142,0.04093866,-2.04750268

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447722/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.11137

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-1.28863

>  <SCORE.INTRA.DIHEDRAL>
-0.0745719

>  <SCORE.INTRA.DIHEDRAL.0>
1.00821

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.25135

>  <SCORE.INTRA.VDW.0>
-0.42433

>  <SCORE.INTRA.norm>
-0.117148

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.737397

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030978

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  194.9349  218.2027  261.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9129  217.6838  260.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8034  218.5588  260.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6755  218.0950  259.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6209  216.7474  258.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7724  215.8485  259.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9403  216.3227  260.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7357  214.4646  259.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6148  213.6286  259.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9824  212.3748  258.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3364  212.4073  258.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7955  213.7032  258.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1964  214.1828  258.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1047  211.3482  257.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7909  210.0403  257.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6212  209.4212  258.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1942  209.7077  259.5861 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0479  208.4417  257.7238 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5489  207.8621  256.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6331  206.5912  255.9640 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.7853  208.3403  256.1307 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5725  209.2432  256.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7743  209.4575  256.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2605  208.0080  254.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3379  207.8694  253.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7628  207.6046  252.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1223  207.4780  252.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0575  207.6233  253.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6278  207.8985  254.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6999  207.1224  250.4400 Br  0  0  0  0  0  0  0  0  0  0  0  0
  194.2249  214.0097  259.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6767  219.0098  258.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2020  208.0411  258.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-148.64479796,-14.20674110,34.27523566,197.61080828,211.06011014,256.51060832
1.89688107,0.94761039,0.42166071

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447723/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.17382

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2625

>  <SCORE.INTRA>
-1.22618

>  <SCORE.INTRA.DIHEDRAL>
-7.41567

>  <SCORE.INTRA.DIHEDRAL.0>
15.3618

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.48165

>  <SCORE.INTRA.VDW.0>
-1.494

>  <SCORE.INTRA.norm>
-0.0383182

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.224182

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  211.3508  189.4196  247.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1606  187.9736  248.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7143  188.3729  246.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7633  188.1397  245.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4253  189.1977  244.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6794  188.9816  243.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2481  187.6967  243.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5105  186.6409  244.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2496  186.8664  245.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4130  187.4042  241.7904 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.1739  188.0495  246.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9771  188.9702  246.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4231  186.7012  246.3951 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6587  186.0967  246.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6880  184.7018  245.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8645  184.0216  245.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8991  182.6260  245.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0729  181.9794  245.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2308  182.7165  244.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2197  184.1012  244.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0450  184.7645  245.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0163  186.1555  245.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8362  186.8131  245.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6288  186.0837  246.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
58.50677092,-43.22946802,-178.49616067,213.02263371,186.54896593,245.21042705
-2.93577478,0.48833311,-2.31197480

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447724/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.08367

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-0.316329

>  <SCORE.INTRA.DIHEDRAL>
-0.0937166

>  <SCORE.INTRA.DIHEDRAL.0>
2.5634

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.269471

>  <SCORE.INTRA.VDW.0>
-1.54051

>  <SCORE.INTRA.norm>
-0.0137534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.351464

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000347

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  199.6994  226.6649  259.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1265  225.9346  260.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8706  226.3521  261.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3883  225.6427  263.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7672  224.3305  263.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4498  223.8769  264.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8175  224.6921  265.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4551  225.9916  265.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6570  226.4245  264.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2024  227.6862  263.9166 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9180  226.8717  266.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6919  228.0479  266.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6294  226.3088  267.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4645  223.3507  262.9809 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4153  223.6781  261.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8130  222.4558  261.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7421  222.1921  260.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6430  221.3183  260.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4884  220.1615  260.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7906  221.9333  261.5404 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3910  221.5227  261.6379 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2770  220.2490  262.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5129  222.6592  262.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5826  223.9786  261.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1405  223.8712  259.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9427  223.0170  258.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1485  223.4316  258.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9502  222.6473  257.5788 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5661  221.3647  257.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3521  220.8665  257.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5162  221.7210  258.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0437  227.7806  262.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1963  222.4223  262.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-178.71414701,79.88921240,27.37609798,174.51002414,27.91091794,-166.32280219
80.64406589,-87.36865360,-110.61973981,148.94025433,79.71325678,56.57842931
60.03849144,-64.76593545,-77.83337684,198.63722102,223.86526218,261.93512236
-1.96094248,1.55144131,1.33836060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447725/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.29082

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.625806

>  <SCORE.INTRA>
-14.1092

>  <SCORE.INTRA.DIHEDRAL>
-4.11511

>  <SCORE.INTRA.DIHEDRAL.0>
14.7041

>  <SCORE.INTRA.POLAR>
-0.986261

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.69834

>  <SCORE.INTRA.VDW.0>
2.74729

>  <SCORE.INTRA.norm>
-0.455135

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.170672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000110

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  214.6699  178.9811  251.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1297  179.3631  250.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8284  180.8296  249.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2913  181.2159  248.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9901  182.6838  248.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4521  183.0707  246.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1482  184.5357  246.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6180  184.9184  245.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3174  186.3829  244.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7928  186.7606  243.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4905  188.2238  243.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9625  188.6196  241.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6399  190.0877  241.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0952  190.5180  240.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4127  189.7805  239.0218 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1050  190.3543  238.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2558  189.7685  237.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.91146259,-179.79530303,179.99274539,179.89822433,179.73997732,-179.98122146
179.85319075,179.97037813,179.89102920,179.67317423,-179.74568166,62.15904894
83.17038723,215.36023659,185.66120763,244.49603500,2.53939912,1.52219107
1.35366723

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447726/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.6629

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08235

>  <SCORE.INTRA>
-0.737113

>  <SCORE.INTRA.DIHEDRAL>
0.808551

>  <SCORE.INTRA.DIHEDRAL.0>
0.0549874

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14139

>  <SCORE.INTRA.VDW.0>
-0.302477

>  <SCORE.INTRA.norm>
-0.0433596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
1.03899

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007121

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  207.7015  202.3472  247.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8597  203.3221  246.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4954  203.3672  246.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9726  202.4132  247.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8041  201.4329  248.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1751  201.3973  248.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9879  200.3728  248.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3830  199.6214  249.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3580  200.3462  248.5413 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2477  199.3882  249.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6073  199.4922  248.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4741  198.5663  249.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0846  197.5525  250.1709 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7633  197.4595  250.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8248  198.3372  249.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6087  204.3425  246.4483 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9162  205.3301  245.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0156  205.4898  245.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8401  206.2794  245.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9079  207.2137  244.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8739  208.1456  243.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7713  208.1399  244.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6689  207.1930  245.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6982  206.2693  245.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5415  209.3273  244.5926 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.2357  207.3333  242.9924 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.7720  201.0709  247.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6395  204.2533  246.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
3.87361718,178.51849476,-178.73366371,-170.14634124,206.07889593,203.65734839
246.71682802,-0.88042455,0.33601975,-0.77222330

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447727/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.72661

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-3.67339

>  <SCORE.INTRA.DIHEDRAL>
-5.12743

>  <SCORE.INTRA.DIHEDRAL.0>
5.73184

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.10968

>  <SCORE.INTRA.VDW.0>
2.32388

>  <SCORE.INTRA.norm>
-0.141284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.220254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001173

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  187.1700  221.8374  259.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9494  220.8707  260.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3988  219.4579  260.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1714  218.4697  261.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5951  217.0712  261.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3543  216.0568  262.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7541  214.6745  261.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4873  213.6296  262.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8462  212.2715  262.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5296  211.1697  263.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8795  209.8038  263.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5662  208.6996  263.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9568  207.3071  263.6974 N   0  3  0  0  0  0  0  0  0  0  0  0
  186.5012  207.2681  264.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0741  206.8643  262.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7578  206.3251  264.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  1  13   1
M  END
>  <CHROM.1>
179.69731790,-179.88636751,179.54071537,-179.89045986,-179.96053891,179.80773555
-179.93994527,-179.94484218,-179.97001222,-179.79406648,-61.50750229,187.93148715
213.18959944,262.39714487,1.60400984,-0.68553737,-0.21395605

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447728/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.6486

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.025

>  <SCORE.INTRA>
-0.751363

>  <SCORE.INTRA.DIHEDRAL>
-0.0465672

>  <SCORE.INTRA.DIHEDRAL.0>
0.0522338

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.728079

>  <SCORE.INTRA.VDW.0>
1.03946

>  <SCORE.INTRA.norm>
-0.0469602

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.97804

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.165698

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  218.7958  181.0079  242.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2424  181.7970  243.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2898  181.3431  244.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9236  180.1316  244.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4177  179.3228  243.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2808  179.7109  242.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6363  178.7810  241.8244 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3094  178.6962  241.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0238  177.9458  240.4700 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4297  179.5255  242.0511 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2042  180.0416  241.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5677  180.9330  242.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4247  181.6308  242.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8720  181.3867  240.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4524  180.4385  239.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6346  179.7837  240.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7013  182.1618  240.4069 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.2934  183.0525  241.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2009  181.8838  239.3096 O   0  5  0  0  0  0  0  0  0  0  0  0
  220.7077  182.1694  245.8737 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.9357  183.0591  246.2399 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7971  181.8989  246.3934 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.1600  177.9730  241.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.7399  179.8505  242.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  4  17   1  19  -1  20   1  22  -1
M  END
>  <CHROM.1>
-23.52221580,-176.21387631,216.75850088,180.79415936,242.49234519,-0.28293323
0.42082337,-2.47123813

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447729/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27064

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-1.12936

>  <SCORE.INTRA.DIHEDRAL>
-1.46775

>  <SCORE.INTRA.DIHEDRAL.0>
3.30109

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.395483

>  <SCORE.INTRA.VDW.0>
0.205324

>  <SCORE.INTRA.norm>
-0.0513345

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.285029

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000094

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  192.4570  220.9369  262.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3847  220.0188  262.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7187  219.8676  262.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5848  219.0100  261.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1028  218.2972  260.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7821  218.4492  260.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9276  219.3071  261.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1427  217.1692  259.8498 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.9698  217.4770  258.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4546  217.2182  260.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5285  215.6937  260.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1949  215.4229  259.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6850  214.0655  260.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2316  213.8137  259.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2269  214.7024  260.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5479  215.0719  262.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0039  214.9491  262.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7805  213.8768  261.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0172  214.5986  263.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1125  215.3335  264.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0607  216.6162  263.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6738  216.2124  262.3755 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9645  213.9868  260.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9911  214.9783  260.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7175  215.7901  259.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0342  215.9089  259.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-132.08730608,61.35281725,-171.60388095,177.24932020,193.49539604,216.48028311
261.13146710,0.65522852,0.30503313,0.43338503

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447730/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.5774

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-3.8226

>  <SCORE.INTRA.DIHEDRAL>
-2.36766

>  <SCORE.INTRA.DIHEDRAL.0>
3.97257

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.184151

>  <SCORE.INTRA.REPUL.0>
0.184151

>  <SCORE.INTRA.VDW>
-1.71801

>  <SCORE.INTRA.VDW.0>
-2.1326

>  <SCORE.INTRA.norm>
-0.147023

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.214516

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  227.2769  176.2588  247.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2339  177.3300  247.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4921  178.5541  248.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2559  177.7453  245.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7426  176.7025  244.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3649  176.2534  244.9994 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.2840  177.2341  244.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6936  177.7736  246.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1747  178.7413  246.8628 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4546  178.6408  248.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5215  177.6393  247.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6732  177.0643  246.6821 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6929  179.4081  249.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0632  179.2358  250.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7382  180.2838  249.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0378  181.0244  250.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2077  175.0194  245.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1762  174.3884  246.0424 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9186  174.5339  245.6658 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3768  173.7871  244.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8653  172.5249  244.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3181  171.8341  243.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2908  172.4067  242.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7971  173.6647  242.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3285  174.3354  243.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8642  175.5572  244.1514 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.2517  175.1509  246.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
70.25563203,57.70440613,66.69348755,-104.14071796,81.29628569,-176.57716887
-178.05332243,86.06026596,66.25551164,223.39723938,176.52499779,246.22994534
-1.33171665,0.05296468,-2.42637152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447731/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.2174

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-7.1826

>  <SCORE.INTRA.DIHEDRAL>
-0.628083

>  <SCORE.INTRA.DIHEDRAL.0>
5.19578

>  <SCORE.INTRA.POLAR>
-0.999314

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.47089

>  <SCORE.INTRA.VDW.0>
-0.349344

>  <SCORE.INTRA.norm>
-0.276254

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.277592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  228.6461  187.1493  250.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4232  186.2891  249.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7830  185.8556  251.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5860  185.0322  251.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0404  184.6476  249.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6722  185.0478  248.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4197  184.8430  247.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4698  185.5853  246.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5384  185.6342  245.3795 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.3265  186.1882  247.4892 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.8739  185.8886  248.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4155  184.1685  246.7238 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.5754  183.6041  247.4552 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.5168  183.0031  246.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2405  182.8272  247.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2039  182.2120  246.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4219  181.7524  245.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6789  181.9067  244.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7467  182.5164  245.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0172  182.6426  244.7586 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1168  181.9722  245.2879 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3447  183.8325  244.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8749  184.5625  252.5398 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.3896  182.5598  246.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.5198  184.4366  244.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
-1.68518760,-152.88372257,64.57537031,-80.37683621,73.26947887,224.69467101
184.23528603,247.77534009,-0.84007726,-0.54385325,-1.69566445

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447732/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.00712704

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-8.39287

>  <SCORE.INTRA.DIHEDRAL>
-12.0344

>  <SCORE.INTRA.DIHEDRAL.0>
14.2381

>  <SCORE.INTRA.POLAR>
-0.455745

>  <SCORE.INTRA.POLAR.0>
-0.590837

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.826118

>  <SCORE.INTRA.VDW.0>
-0.801807

>  <SCORE.INTRA.norm>
-0.364908

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.000309871

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  205.5052  191.2882  246.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4764  191.7738  247.4652 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9113  190.8910  248.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7310  193.1074  247.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6496  193.5977  249.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9092  194.9369  249.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2664  195.8519  248.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3518  195.3957  247.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0959  194.0458  246.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5264  197.2624  248.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4044  197.5731  250.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8988  198.1750  247.8597 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1675  199.5609  248.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5820  199.7550  248.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8341  201.1959  249.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0003  201.5693  250.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4137  200.7687  251.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2156  201.1801  252.4549 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8407  199.5270  251.7130 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1767  198.7478  252.8406 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0312  197.8900  246.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1506  199.1471  251.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6439  197.9356  252.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
177.22787715,-0.87919155,81.86645513,-175.71523108,67.43056606,65.72502683
95.07647163,178.79045534,206.92935197,196.87053338,249.18872260,-3.00918728
1.25416184,1.82979994

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447733/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.54154

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-3.85846

>  <SCORE.INTRA.DIHEDRAL>
0.642858

>  <SCORE.INTRA.DIHEDRAL.0>
2.76283

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.779892

>  <SCORE.INTRA.VDW.0>
2.72234

>  <SCORE.INTRA.norm>
-0.192923

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.427077

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.118829

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  193.3509  215.3064  246.0031 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.5965  215.3231  246.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1863  214.4391  245.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3581  216.1504  245.9616 O   0  5  0  0  0  0  0  0  0  0  0  0
  193.5999  213.5642  245.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
>  <CHROM.1>
-89.72116301,193.37727707,215.27684278,245.96482100,1.13177075,0.61690960
0.89418722

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447734/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.4001

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-1.9999

>  <SCORE.INTRA.DIHEDRAL>
-3.99981

>  <SCORE.INTRA.DIHEDRAL.0>
3.9999

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.499976

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
0.850024

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.964211

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 41  0  0  0  0  0  0  0  0999 V2000
  207.7758  219.1959  247.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1139  218.3849  246.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1197  218.9305  245.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7609  220.2708  245.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4259  221.1162  246.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4458  220.5474  247.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0008  222.4664  246.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9873  222.8933  245.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4047  221.9877  244.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7858  220.6899  244.5253 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3306  222.3702  243.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7577  221.4324  242.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7104  221.7842  241.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2237  223.0876  241.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7848  224.0441  242.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8300  223.6862  243.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7930  223.5640  240.7112 Br  0  0  0  0  0  0  0  0  0  0  0  0
  206.4931  223.5281  247.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1129  224.6868  247.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2782  222.9562  248.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7182  223.8116  249.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0516  223.7301  249.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4744  224.4394  250.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5682  225.2389  251.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2222  225.3538  251.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8082  224.5889  249.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2601  226.2386  251.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0051  226.2846  251.1692 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1161  227.1045  251.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8239  227.2062  251.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8687  228.0227  251.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2092  228.7465  253.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5085  228.6724  253.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4701  227.8744  252.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7172  227.8509  253.4003 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5977  227.0394  252.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 36  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <CHROM.1>
178.96393845,179.66861995,-174.50922579,-134.82844226,177.82397831,204.49511387
223.85166682,246.96232204,-2.04147838,-0.60691975,0.91600375

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447735/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.35617

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.288889

>  <SCORE.INTRA>
-6.04383

>  <SCORE.INTRA.DIHEDRAL>
-15.1935

>  <SCORE.INTRA.DIHEDRAL.0>
18.3181

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.55294

>  <SCORE.INTRA.VDW.0>
-0.853737

>  <SCORE.INTRA.norm>
-0.167884

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.121005

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001402

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  196.0597  206.0422  253.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2116  205.4048  252.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1206  205.3802  251.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2408  204.7910  249.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4627  204.2342  249.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5567  204.2431  250.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4270  204.8286  251.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5784  203.4646  247.9606 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.9599  203.4108  247.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7752  202.2585  248.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7408  204.4993  246.9638 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0808  205.8356  246.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9756  206.3712  247.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2692  206.4735  245.8567 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4972  207.8327  245.5405 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3810  208.1437  244.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0099  208.7962  243.8777 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.0409  207.9863  243.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4480  206.9701  243.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3358  207.7178  245.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3622  208.8623  245.2622 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.5379  208.7193  246.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9099  204.0875  246.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6483  205.9200  245.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
158.62411704,59.33329585,138.15695270,195.48627392,205.84061159,247.52835813
0.73276523,-1.05184157,1.32779610

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447737/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.18446

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-0.215545

>  <SCORE.INTRA.DIHEDRAL>
-0.0593452

>  <SCORE.INTRA.DIHEDRAL.0>
2.74047

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.185872

>  <SCORE.INTRA.VDW.0>
-2.42314

>  <SCORE.INTRA.norm>
-0.00979749

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.372021

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000030

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  182.1289  228.9241  259.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5018  228.2671  259.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5764  226.9259  259.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9316  226.2133  259.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9101  224.8899  260.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2909  224.2253  260.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3148  222.8936  261.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7028  222.2719  261.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7404  220.9498  262.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1518  220.3916  262.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2271  219.0696  262.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6395  218.5277  262.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7105  217.2011  263.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1207  216.6484  263.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1638  215.3222  264.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5595  214.7208  264.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6132  213.3811  264.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0121  212.7598  264.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1100  211.4084  265.4225 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.7944  211.5416  266.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1867  210.3802  264.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5510  210.9104  265.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  1  19   1
M  END
>  <CHROM.1>
179.99264354,-179.91826237,179.97129297,-179.99021844,179.96476855,-179.99532520
179.89109023,-179.89725480,-179.92567077,-179.86913828,179.97881955,-179.90656628
-179.97053542,-179.84670909,179.25551173,-179.61099433,-61.66569109,189.75237136
218.94664545,262.68853476,2.18963596,0.22900025,-0.50658107

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447746/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
19.8419

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.01818

>  <SCORE.INTRA>
-2.55809

>  <SCORE.INTRA.DIHEDRAL>
-0.523842

>  <SCORE.INTRA.DIHEDRAL.0>
0.531427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.29617

>  <SCORE.INTRA.VDW.0>
1.88619

>  <SCORE.INTRA.norm>
-0.116277

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.901905

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.275766

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 43  0  0  0  0  0  0  0  0999 V2000
  186.4942  223.0139  256.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4930  221.6176  255.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6389  221.5602  254.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6895  220.5224  256.9186 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.9770  220.6699  258.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6966  220.4763  259.2942 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6907  221.1621  258.4779 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5318  221.8552  259.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0437  222.0258  259.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4548  221.7873  258.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3440  220.6489  258.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.8777  220.3832  256.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9334  221.2381  255.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3598  219.1165  256.3914 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.3350  218.5398  255.0297 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.9871  217.1503  255.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4312  216.2502  255.8310 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.3259  217.0761  254.8643 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3916  217.1994  255.9137 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.9984  218.5720  255.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7913  219.0926  254.4515 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7980  219.1350  256.4887 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8490  217.2047  257.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7047  217.4256  258.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0455  217.0614  258.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7200  217.1632  259.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0707  217.6415  261.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7415  218.0231  260.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0662  217.8926  259.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9340  218.4192  254.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3788  219.7806  254.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1096  220.4093  252.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8012  221.9054  252.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4019  222.6255  253.8820 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.8695  223.8057  254.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8588  224.3286  253.8804 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.6337  224.4311  255.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2158  218.4574  257.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.5571  217.7004  254.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.7323  218.7400  256.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.2050  222.2197  254.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4 22  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  1  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 41  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <CHROM.1>
39.69017924,73.23686486,-175.03609858,-30.21832081,68.41928705,-162.04609561
69.02265048,-153.89198463,184.08725794,219.97588019,256.60951557,-0.29849882
-0.81090349,0.26014620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447747/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.94519

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.362162

>  <SCORE.INTRA>
-4.45481

>  <SCORE.INTRA.DIHEDRAL>
1.4666

>  <SCORE.INTRA.DIHEDRAL.0>
5.29332

>  <SCORE.INTRA.POLAR>
-0.999584

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78952

>  <SCORE.INTRA.VDW.0>
-4.61613

>  <SCORE.INTRA.norm>
-0.1204

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.241762

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012364

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  202.0897  184.3533  256.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7070  183.8856  255.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2266  184.5165  254.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8318  184.1122  253.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9083  183.0703  252.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4187  182.4270  254.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8087  182.8297  255.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4263  182.6680  251.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5272  181.7310  251.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4595  181.8748  249.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3432  182.8791  249.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9156  183.3612  250.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6259  183.3855  248.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5073  184.3682  247.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7625  184.9558  246.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2380  184.5335  245.5517 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6279  186.0321  246.6345 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0446  186.2829  247.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5084  185.1541  249.0586 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.8711  187.3064  248.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1769  187.6175  249.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6808  187.8519  249.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1469  188.9096  248.8907 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7767  188.7149  247.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2658  188.3901  247.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8848  189.9921  249.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8491  189.7930  250.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6835  190.8152  250.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5933  192.0813  250.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6456  192.3240  249.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7678  191.3096  248.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7391  191.7505  247.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-178.27226892,179.87498577,172.70618131,37.84153243,203.29094526,186.20769962
250.08056175,-2.70066030,-0.84319272,-1.42073813

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447748/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.99642

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-6.40358

>  <SCORE.INTRA.DIHEDRAL>
-13.3736

>  <SCORE.INTRA.DIHEDRAL.0>
19.8499

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.283208

>  <SCORE.INTRA.VDW.0>
0.22482

>  <SCORE.INTRA.norm>
-0.200112

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0936383

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000084

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 30  0  0  0  0  0  0  0  0999 V2000
  186.7524  212.2400  265.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8080  213.2802  264.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9658  213.9150  265.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5522  214.3721  264.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1849  213.9120  262.6848 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.4209  213.0116  262.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4520  211.8020  262.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5191  213.6965  263.2981 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2029  213.1720  261.8943 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1463  213.7518  261.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9875  214.9762  261.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2568  212.8015  260.4158 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.0453  211.6444  259.7474 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.0339  212.1560  258.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2588  212.8906  259.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2824  214.2937  259.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4262  214.9800  259.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5547  214.2576  260.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5366  212.8580  260.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3938  212.1819  259.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7773  214.9700  260.4204 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.7677  216.2077  260.3646 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7506  214.2898  260.7762 O   0  5  0  0  0  0  0  0  0  0  0  0
  185.7295  210.7562  260.7235 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.2205  212.2576  261.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3051  213.1121  263.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.1772  212.1506  261.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.1668  209.9850  260.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.0139  210.3130  261.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.6719  211.6866  260.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  6  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
70.05359553,-71.54966291,105.79962169,72.80268112,179.57854760,-34.18464277
-66.17343201,178.40980465,71.63693492,175.90872937,-97.75160892,187.28297367
213.37507422,261.50544392,-2.78576918,-0.33928919,-1.66528975

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447749/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45758

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.576

>  <SCORE.INTRA>
-7.94242

>  <SCORE.INTRA.DIHEDRAL>
-5.16872

>  <SCORE.INTRA.DIHEDRAL.0>
11.0192

>  <SCORE.INTRA.POLAR>
0.138241

>  <SCORE.INTRA.POLAR.0>
-0.794481

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.82808

>  <SCORE.INTRA.VDW.0>
-1.61735

>  <SCORE.INTRA.norm>
-0.317697

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.258303

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000306

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  163.9717  177.7432  200.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
  164.8454  178.7152  200.9022 O   0  0  0  0  0  0  0  0  0  0  0  0
  165.4719  178.3808  202.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
  165.4555  179.3520  203.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.0809  179.0819  204.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.7638  177.8778  204.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.8061  176.9188  203.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.1593  177.1748  202.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.4852  177.5723  206.1032 S   0  0  0  0  0  0  0  0  0  0  0  0
  166.3954  177.2763  207.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
  168.5861  176.6521  205.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
  168.0488  179.0889  206.5259 N   0  0  0  0  0  0  0  0  0  0  0  0
  169.0065  179.7455  205.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.5359  179.1214  204.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.4838  179.7943  203.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.8976  181.0914  204.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.3309  181.7161  205.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.3844  181.0462  206.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.8929  181.7705  203.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.3855  183.0513  203.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.2642  183.2541  202.5564 N   0  0  0  0  0  0  0  0  0  0  0  0
  174.0897  184.2695  202.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.7543  183.9293  201.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.3615  182.2923  200.4496 S   0  0  0  0  0  0  0  0  0  0  0  0
  173.2742  182.1271  201.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.4821  181.1882  202.2351 N   0  0  0  0  0  0  0  0  0  0  0  0
  164.7717  180.5178  202.8497 O   0  0  0  0  0  0  0  0  0  0  0  0
  165.5122  181.7242  203.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.6538  179.5427  207.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 26  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-133.37227673,-125.03452891,73.26518056,-60.14976494,-2.54145409,179.92467912
169.08221910,180.02609432,203.52997738,2.73753411,0.43700177,1.95006119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447750/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.46928

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-7.93072

>  <SCORE.INTRA.DIHEDRAL>
-11.1021

>  <SCORE.INTRA.DIHEDRAL.0>
19.3903

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.37968

>  <SCORE.INTRA.VDW.0>
1.53359

>  <SCORE.INTRA.norm>
-0.28324

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.123903

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  195.1766  216.1942  262.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4132  215.7306  263.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4845  214.7350  264.1652 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4505  214.1351  263.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0445  214.9065  262.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8902  215.9582  261.5050 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1771  215.6390  260.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4148  216.8913  259.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1380  217.7015  259.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9741  218.6734  260.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3689  217.9933  261.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3734  218.7798  262.4803 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3129  219.8651  262.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9702  219.5255  262.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9891  220.5169  262.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3371  221.8529  262.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6651  222.2020  262.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6490  221.2154  262.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2193  217.8406  263.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1626  216.9182  263.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0138  216.1031  264.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9071  216.2155  265.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9491  217.1346  265.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0999  217.9446  264.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7148  215.2206  267.3400 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.5538  214.2928  265.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3728  214.9507  266.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5503  214.4354  267.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9103  213.2515  268.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0711  212.6077  267.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8875  213.1378  265.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
10.64194790,-81.82317576,-69.91780362,87.20731791,-83.10004564,170.67480912
75.00624820,57.55258350,-53.64838960,192.84500766,216.76021595,263.68205950
-1.03415293,0.84693810,-1.15105891

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447751/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.91718

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-5.48282

>  <SCORE.INTRA.DIHEDRAL>
-0.345631

>  <SCORE.INTRA.DIHEDRAL.0>
9.67024

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.31001

>  <SCORE.INTRA.VDW.0>
0.277956

>  <SCORE.INTRA.norm>
-0.176865

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.287651

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010220

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  218.7011  183.7630  242.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5667  182.9393  242.4547 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.3550  182.7129  243.3290 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2377  183.5541  242.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4527  182.9220  240.6356 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.9776  185.2826  242.2912 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.7617  181.3568  243.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3782  181.4442  243.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9956  184.7582  241.9818 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0096  180.5471  243.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.7363  185.2861  242.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  1  1  1  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-128.18367997,179.78380503,-126.20604445,179.65538732,216.38566710,183.41522200
242.23084725,-0.65240127,0.42112105,2.58313248

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447752/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.09416

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-2.30584

>  <SCORE.INTRA.DIHEDRAL>
-3.9237

>  <SCORE.INTRA.DIHEDRAL.0>
8.08162

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.343994

>  <SCORE.INTRA.VDW.0>
-0.806368

>  <SCORE.INTRA.norm>
-0.256205

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.566018

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002291

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  194.0082  211.3110  248.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2863  210.1557  248.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2923  209.7751  249.6824 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2771  210.6193  249.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4844  211.9364  248.5646 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.1571  210.5563  250.4285 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1127  209.6245  251.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9887  208.6132  251.5704 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0757  209.5318  252.1880 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5342  209.3396  248.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2131  207.6194  248.2479 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.1268  206.9003  249.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2061  205.6882  249.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7515  206.1486  249.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8365  205.9386  250.8184 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1333  205.1526  252.1916 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.9288  205.1092  252.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8948  203.9640  251.8909 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1700  206.1488  253.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3855  206.8848  248.8214 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5756  207.7093  251.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8656  208.7303  251.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2892  208.9064  252.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.7457  210.4329  252.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.9502  207.1273  252.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1408  205.8939  252.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6030  206.5754  248.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4553  207.8930  248.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
>  <CHROM.1>
-121.58002047,4.34727423,-111.21375103,-165.99631397,-96.18725842,150.63936797
-74.95105766,-119.77022790,124.68926222,178.75700733,34.33172867,192.88305423
208.00032126,250.30019273,-1.38600792,-0.66827140,2.73874370

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447753/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.83397

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.82

>  <SCORE.INTRA>
-14.566

>  <SCORE.INTRA.DIHEDRAL>
-5.82789

>  <SCORE.INTRA.DIHEDRAL.0>
14.1406

>  <SCORE.INTRA.POLAR>
-2.72883

>  <SCORE.INTRA.POLAR.0>
-0.635572

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.37406

>  <SCORE.INTRA.VDW.0>
-2.45592

>  <SCORE.INTRA.norm>
-0.728302

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.0916985

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000130

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  215.9497  171.2727  237.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3918  171.2665  238.8203 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4180  171.0724  239.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7240  170.1590  240.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7984  169.8629  241.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5443  170.4887  241.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2730  171.4346  240.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1931  171.7247  239.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5776  170.1754  242.8548 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0310  170.2123  244.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4029  169.7508  245.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1520  170.0329  246.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3179  170.7365  246.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5108  171.0360  244.4531 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.2455  169.8305  242.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7776  169.4679  241.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2604  169.9680  243.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7470  171.4004  243.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8902  172.3393  244.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4547  172.9930  243.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2841  172.3564  245.4842 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0563  172.9548  245.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
134.50490260,50.80636924,-167.64180966,83.68807557,-61.90872327,97.53059700
178.02966014,213.15233186,170.88015198,242.71877653,0.97600149,0.06908948
-1.52101820

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447754/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-7.98512

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-19.3851

>  <SCORE.INTRA.DIHEDRAL>
-37.7929

>  <SCORE.INTRA.DIHEDRAL.0>
54.4232

>  <SCORE.INTRA.POLAR>
0.269766

>  <SCORE.INTRA.POLAR.0>
-0.269766

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.40588

>  <SCORE.INTRA.VDW.0>
1.3044

>  <SCORE.INTRA.norm>
-0.923101

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
-0.380244

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000475

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  190.8020  205.9734  254.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6263  207.0374  254.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8637  207.1976  255.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2251  206.2536  256.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4486  206.4107  256.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3083  207.4706  256.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9481  208.3956  255.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7307  208.2585  254.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1278  207.7302  257.4108 I   0  0  0  0  0  0  0  0  0  0  0  0
  194.7844  205.4762  257.6720 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4314  205.2130  256.4027 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2452  205.0961  255.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0219  204.8586  257.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-0.12265299,195.05555788,207.11057303,256.56903304,-3.12918634,0.46393548
2.46538732

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447756/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39962

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-0.000383634

>  <SCORE.INTRA.DIHEDRAL>
-0.000157621

>  <SCORE.INTRA.DIHEDRAL.0>
0.000216228

>  <SCORE.INTRA.POLAR>
-0.000107347

>  <SCORE.INTRA.POLAR.0>
-0.375309

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
6.01574e-05

>  <SCORE.INTRA.VDW.0>
0.411653

>  <SCORE.INTRA.norm>
-3.19695e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.449968

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000644

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  192.2513  225.8300  254.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9887  225.2558  254.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6982  224.4548  255.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6693  224.2198  256.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9357  224.8089  256.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2249  225.6075  255.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3575  223.3459  258.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7950  221.9859  257.8359 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1218  221.3446  256.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0277  220.5816  257.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4205  220.0198  255.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7686  220.1015  254.6420 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8765  220.8397  254.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5533  221.4586  255.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6211  222.0647  254.8916 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5411  221.8088  253.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4898  221.0769  253.2568 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7982  221.9348  257.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3540  222.5727  255.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
94.47141059,-64.98124148,-91.68781604,191.44208404,222.61500297,255.70584318
-0.52266964,-1.14764921,-2.00451124

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447757/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4563

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-0.102391

>  <SCORE.INTRA.DIHEDRAL.0>
1.32556

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.8925

>  <SCORE.INTRA.VDW.0>
-0.288093

>  <SCORE.INTRA.norm>
-0.173159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.320959

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001814

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  215.8261  181.0179  244.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4590  181.2561  246.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8345  182.0517  247.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4346  182.2613  248.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6555  181.6531  248.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2814  180.9093  247.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6966  180.6993  246.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3049  181.9150  250.5749 P   0  0  0  0  0  0  0  0  0  0  0  0
  219.2102  180.3780  250.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3201  179.9926  250.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1179  178.8947  250.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8511  178.1708  251.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7431  178.5308  252.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9240  179.5988  252.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7495  177.0612  252.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5701  183.3266  250.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5998  183.2040  249.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7858  184.6367  250.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2293  183.5232  252.0988 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.3097  183.5829  253.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5570  182.5683  254.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6702  181.8065  253.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1134  182.3458  252.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 16  1  6  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
148.32351373,61.77811828,-46.13661405,-48.99274400,219.02158746,181.32344234
250.33233791,-2.93208546,-0.97803077,0.41928167

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447758/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.28529

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-2.11471

>  <SCORE.INTRA.DIHEDRAL>
-0.451797

>  <SCORE.INTRA.DIHEDRAL.0>
8.71734

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.88881

>  <SCORE.INTRA.VDW.0>
-2.37971

>  <SCORE.INTRA.norm>
-0.0919437

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.316752

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000716

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  184.6767  208.4241  258.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9080  209.0102  257.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0090  208.6924  256.4211 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.7159  208.2330  255.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7280  207.8299  255.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5350  209.8414  255.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7209  209.9572  255.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5304  210.9006  255.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2937  211.7236  256.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.3168  212.5042  256.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3490  212.6453  256.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0326  213.1817  258.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5798  212.3551  259.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8901  211.8393  259.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3699  211.0640  260.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5683  210.8303  261.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2868  211.3704  261.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7947  212.1187  260.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5160  212.5815  260.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.9315  213.2714  259.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6082  213.6655  259.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9102  214.3849  258.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5406  214.7241  257.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8682  214.3490  257.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5805  213.5927  258.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9386  209.9129  258.3344 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8153  210.7354  257.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.0665  209.5460  258.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  6  0  0  0
  3  6  1  0  0  0  0
  4  5  3  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
122.70127382,140.96644118,95.36277997,75.64002980,67.69734130,9.35694459
93.87707739,183.52178276,211.47758485,258.01435805,-1.02770685,-0.76946473
1.00995800

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447759/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.75758

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-10.6424

>  <SCORE.INTRA.DIHEDRAL>
-7.16524

>  <SCORE.INTRA.DIHEDRAL.0>
12.1363

>  <SCORE.INTRA.POLAR>
-0.999496

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.66151

>  <SCORE.INTRA.VDW.0>
-1.34367

>  <SCORE.INTRA.norm>
-0.409324

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0675994

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000270

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  234.3802  189.8577  250.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.8231  188.5161  250.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.7526  187.4499  250.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.4192  186.2115  251.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.1637  186.0114  251.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.2119  187.0311  251.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.4847  188.2777  251.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.4074  189.1744  251.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
  230.8745  189.8016  250.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.3178  189.8199  248.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.6382  190.7228  247.8012 N   0  0  0  0  0  0  0  0  0  0  0  0
  230.8847  190.7386  246.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.1317  191.5453  245.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2942  191.5011  244.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.2712  190.6858  243.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.0802  189.9158  244.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.8650  189.9092  245.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.5663  189.0260  246.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.2327  188.9233  248.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.7096  190.5469  250.2147 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.7232  190.3599  251.1485 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.6346  189.1671  251.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6856  188.8210  252.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5921  187.6005  253.1747 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.6850  187.5964  254.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3705  186.4970  255.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4524  186.6526  256.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8349  187.8801  256.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1168  188.9791  255.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0528  188.8161  254.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6244  189.9844  253.3460 S   0  0  0  0  0  0  0  0  0  0  0  0
  230.5345  186.6702  252.5927 Br  0  0  0  0  0  0  0  0  0  0  0  0
  235.7001  184.8249  251.3623 Br  0  0  0  0  0  0  0  0  0  0  0  0
  229.5494  191.2783  249.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 31  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
58.78699649,-171.70146286,-21.76801975,179.05485375,230.84191040,188.13190989
250.97379966,-0.62669264,-0.43888818,2.12948980

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447760/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.05145

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-1.34855

>  <SCORE.INTRA.DIHEDRAL>
-2.91273

>  <SCORE.INTRA.DIHEDRAL.0>
9.0827

>  <SCORE.INTRA.POLAR>
0.0185578

>  <SCORE.INTRA.POLAR.0>
-0.150453

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0447161

>  <SCORE.INTRA.VDW.0>
-2.63874

>  <SCORE.INTRA.norm>
-0.0408652

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.243983

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  196.5566  224.0515  248.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8283  224.0565  248.9944 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0074  223.1591  250.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5521  223.6628  251.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7871  222.8010  252.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5108  221.4365  252.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9927  220.9340  250.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7416  221.7914  249.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8002  220.5224  253.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2919  220.9726  254.4058 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4742  220.0693  255.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9311  220.5119  256.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2080  221.6751  256.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9888  219.4858  257.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8910  218.1513  257.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0897  217.1419  258.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4939  217.4325  259.5073 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5562  218.7121  259.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9854  218.9786  261.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9912  220.2724  261.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4991  221.3237  260.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1028  221.0872  259.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2106  219.7949  259.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8875  215.7031  257.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1008  214.6971  258.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9275  213.3400  258.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5422  212.9606  257.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3361  213.9244  256.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5110  215.2794  256.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3284  211.2953  256.9507 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.7887  225.0160  251.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0700  225.4265  251.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1585  219.1150  255.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-131.20994703,-131.16806648,0.77754987,-176.48696409,14.71813712,179.87041695
199.41083483,219.26969917,255.62325518,2.11322644,-1.28804750,-0.22632599

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447761/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.75382

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-1.64618

>  <SCORE.INTRA.DIHEDRAL>
-0.54718

>  <SCORE.INTRA.DIHEDRAL.0>
6.70039

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.37259

>  <SCORE.INTRA.VDW.0>
3.41077

>  <SCORE.INTRA.norm>
-0.0514433

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.304807

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  196.2932  212.5180  261.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7148  213.6172  260.0681 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0655  213.3422  259.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3853  214.3652  258.3739 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7043  213.7429  259.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2945  214.1569  257.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5025  215.2629  258.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0397  214.4296  258.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <CHROM.1>
175.18076082,-177.63922096,178.74063202,197.02845942,213.55232667,259.53719431
-2.33120185,0.02472364,-0.97164417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447770/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.52875

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-1.87125

>  <SCORE.INTRA.DIHEDRAL>
-2.87861

>  <SCORE.INTRA.DIHEDRAL.0>
3.0483

>  <SCORE.INTRA.POLAR>
0.161045

>  <SCORE.INTRA.POLAR.0>
-0.278383

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.979501

>  <SCORE.INTRA.VDW.0>
1.07051

>  <SCORE.INTRA.norm>
-0.37425

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.10575

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024314

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 41  0  0  0  0  0  0  0  0999 V2000
  211.0798  219.8171  256.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8275  219.6588  257.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7467  218.2602  257.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5481  218.1361  258.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4617  216.7290  259.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2700  216.6022  260.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1838  215.1843  260.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9622  215.0154  261.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9659  213.6249  262.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7127  213.4066  262.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6943  211.9995  263.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4262  211.8128  264.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3217  210.3996  264.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0420  210.2719  265.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9077  208.8615  266.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6979  207.8169  265.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6881  206.5188  265.7887 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6540  205.4788  264.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0310  204.2185  265.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5971  204.4576  265.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6796  204.8194  264.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3142  205.2796  265.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4114  205.6699  264.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0707  206.2086  264.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2005  206.6171  263.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8580  207.1777  263.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9984  207.5618  262.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7115  208.2544  263.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8115  208.5380  261.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4541  208.0489  264.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4829  207.8297  263.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0496  207.7608  262.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3050  209.0618  262.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8575  208.9747  262.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0732  210.1954  262.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6175  210.0839  262.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8092  211.2766  263.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3688  211.1826  262.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5398  212.3504  263.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0984  212.2524  262.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2374  213.3717  263.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7870  213.2285  262.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <CHROM.1>
175.50112971,178.97633165,179.67544786,178.90338176,-177.27988698,-175.38502895
-176.70773136,178.11271732,-179.74446305,177.26373373,179.41745124,179.22985473
-66.23691396,175.54951475,-173.15233153,141.69350284,-154.64573002,60.13037106
63.61505318,-170.61931587,178.72849997,-176.71976188,178.84589263,-179.26102854
-179.25230465,-174.22908099,-175.61797784,165.65126123,59.64760367,-178.02849481
172.57715318,-178.61168116,178.25236048,177.56077143,178.53421875,179.83056739
176.70259365,-176.66965704,199.45598942,210.57135136,262.83578075,0.51964688
-0.01924224,-0.48653687

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447771/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
43.8886

>  <SCORE.INTER>
43.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
38

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03333

>  <SCORE.INTRA>
0.488555

>  <SCORE.INTRA.DIHEDRAL>
9.75329

>  <SCORE.INTRA.DIHEDRAL.0>
0.925292

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.38809

>  <SCORE.INTRA.VDW.0>
-3.66632

>  <SCORE.INTRA.norm>
0.0116323

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
1.04497

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.084400

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  203.1204  213.6403  249.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0441  214.4330  249.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7344  214.1117  248.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8024  214.9814  248.1092 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.4350  216.3252  247.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7503  216.5412  247.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5702  215.5734  248.4657 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4389  217.6791  247.5638 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6113  217.3563  247.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9624  218.2227  246.7761 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4135  215.1866  248.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2494  214.8853  247.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9994  215.0368  248.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8854  215.4887  249.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0352  215.7947  250.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2920  215.6430  250.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5822  214.6529  247.6911 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.1279  212.8823  249.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6514  212.2426  250.4550 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9654  212.5433  248.9462 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3109  211.3836  249.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4837  217.9220  246.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2906  218.4648  248.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  3  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
18.98636322,-125.66809310,-63.29403704,-179.47168722,199.09912665,214.91328194
248.67615756,-0.06380258,0.05475708,2.70335545

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447772/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.26272

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-1.13728

>  <SCORE.INTRA.DIHEDRAL>
-0.4406

>  <SCORE.INTRA.DIHEDRAL.0>
2.79986

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.916985

>  <SCORE.INTRA.VDW.0>
0.560498

>  <SCORE.INTRA.norm>
-0.0541564

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.393463

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000261

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 44  0  0  0  0  0  0  0  0999 V2000
  218.9544  181.1392  242.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5204  181.7847  243.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3555  181.8803  244.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9562  182.5257  245.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7364  183.0598  245.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8197  182.9722  244.7393 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1198  182.3395  243.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2749  182.2269  242.5612 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9721  182.6334  242.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5680  183.2453  243.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6021  183.6008  244.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3444  184.4411  245.7515 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1872  183.6112  244.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1685  182.7393  244.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2579  181.2732  243.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3031  180.6429  243.7774 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9951  180.7439  243.6888 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9348  181.6167  243.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3207  181.3225  243.4909 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.5179  183.2064  244.2774 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.8933  179.3343  243.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3517  179.1223  241.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2516  178.4565  241.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0649  182.4583  241.6865 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0262  181.2963  240.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5539  180.8950  240.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6347  181.9961  240.0824 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8102  183.1170  241.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2676  183.5935  241.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8374  182.4047  238.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3925  181.3371  237.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1162  180.7594  237.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8229  179.6737  237.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7248  179.1749  236.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9648  179.7465  235.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3001  180.8372  236.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2547  178.0724  235.4576 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9974  177.8806  236.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6704  178.9515  237.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 39  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <CHROM.1>
38.10286612,56.32139571,-113.59593112,-120.59735955,68.78579443,50.58547407
212.77855166,181.46537551,241.69730823,-0.83512953,-0.11642787,-1.90721347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447773/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19402

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.292308

>  <SCORE.INTRA>
-4.20598

>  <SCORE.INTRA.DIHEDRAL>
-5.86363

>  <SCORE.INTRA.DIHEDRAL.0>
23.9934

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.27417

>  <SCORE.INTRA.VDW.0>
-4.28208

>  <SCORE.INTRA.norm>
-0.107846

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.184462

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  192.1052  201.2676  249.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4869  202.5948  249.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4990  203.6040  249.6672 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1040  204.8596  249.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9740  205.2060  249.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2295  205.8076  249.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9938  207.1751  249.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9968  208.1089  249.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2500  207.6956  250.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4788  206.3213  250.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4847  205.3829  249.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2026  208.6583  250.5015 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4238  208.4712  251.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1923  209.5395  251.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1676  210.9506  251.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1869  211.4962  252.3234 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8793  210.4193  252.7579 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3391  209.2254  252.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8213  208.0013  252.6271 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0391  207.0503  252.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8988  207.2177  251.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0442  210.5746  253.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8795  209.6144  250.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-179.81785783,3.27296851,-174.97353998,170.04514867,-170.51393944,195.89867533
207.19735323,250.84677692,-2.54585058,-0.45915464,-0.12013719

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447774/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93192

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-3.46808

>  <SCORE.INTRA.DIHEDRAL>
-7.05059

>  <SCORE.INTRA.DIHEDRAL.0>
7.66732

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0572115

>  <SCORE.INTRA.VDW.0>
0.345126

>  <SCORE.INTRA.norm>
-0.15764

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.315087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002162

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 46  0  0  0  0  0  0  0  0999 V2000
  198.7072  204.0612  252.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6564  204.7580  251.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6314  205.6404  252.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6086  206.3112  251.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5879  207.1766  252.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6131  207.7790  251.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6219  208.6008  252.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6995  209.1232  251.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6672  210.0048  252.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7567  210.5108  251.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7308  211.3845  251.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7902  211.9392  251.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6630  212.9447  251.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7558  213.4680  250.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6808  214.4171  251.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7742  214.9329  250.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6590  215.9821  251.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8567  217.2190  251.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8656  218.2572  251.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1054  217.0055  252.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2931  218.1255  253.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4980  217.8367  254.4972 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.5503  219.0203  254.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5574  219.1963  253.7866 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7311  216.6043  254.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1271  216.1718  255.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2009  216.7209  256.6013 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2747  214.9398  255.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2068  215.2024  254.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2778  214.0062  254.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2775  214.2715  252.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1313  213.4677  251.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1302  213.7179  250.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0438  212.6945  250.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7910  211.9024  249.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7088  210.8763  249.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6940  211.1387  250.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6109  210.3949  251.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6015  210.6641  252.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8676  209.4227  253.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8438  208.9660  254.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1042  207.7270  255.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0207  206.7413  255.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2798  205.4430  256.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2085  204.4310  256.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4798  203.1268  256.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0299  218.3788  253.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  6  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <CHROM.1>
178.46869894,-179.33170832,176.63116472,-177.87131375,176.12834035,177.02729490
179.17077761,-179.58267633,-177.67794888,173.17223171,178.03168305,-176.84224771
179.88172519,174.96939090,-63.11500705,-101.94384204,-178.88854147,-178.59478460
-174.48816475,63.86022542,171.94176537,60.47584484,-0.82777590,-57.11169935
-177.33300309,-177.82052954,124.53264862,-111.76841883,-120.79270799,19.37494294
-106.73556415,130.52165273,122.76338849,125.49274063,-175.94825427,177.58243731
-178.56604037,206.23247318,211.86917725,252.86057719,-2.72557461,0.60902798
0.83684314

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447775/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
34.2753

>  <SCORE.INTER>
41.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
36

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.9

>  <SCORE.INTRA>
-7.12469

>  <SCORE.INTRA.DIHEDRAL>
-3.54553

>  <SCORE.INTRA.DIHEDRAL.0>
8.87167

>  <SCORE.INTRA.POLAR>
0.000908143

>  <SCORE.INTRA.POLAR.0>
-0.000908143

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.35502

>  <SCORE.INTRA.VDW.0>
-4.11232

>  <SCORE.INTRA.norm>
-0.154885

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.745115

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.112857

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  219.5430  177.5036  235.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5551  178.6092  235.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4882  179.6245  235.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7567  178.3142  236.7437 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7741  179.2963  237.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4266  180.5868  237.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3216  181.7640  236.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0421  182.8763  237.2507 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4612  182.6968  237.6464 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.2545  183.8369  238.6900 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.7368  183.6203  238.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6622  183.9184  238.8228 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8229  185.1113  238.1895 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9086  181.1065  238.4278 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.2376  180.5065  238.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4785  181.9332  235.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8109  181.0535  235.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5790  183.1772  235.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4404  185.4380  237.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.8372  185.1013  238.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1722  183.7555  235.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 13  1  6  0  0  0
 11 12  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
178.85246049,-63.48951475,115.97256163,0.62562331,58.07166465,-0.86888074
218.11175103,181.40357674,237.07537357,-1.66117971,-0.65911185,0.35994410

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447776/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.96558

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-4.43442

>  <SCORE.INTRA.DIHEDRAL>
-7.49576

>  <SCORE.INTRA.DIHEDRAL.0>
8.56239

>  <SCORE.INTRA.POLAR>
-0.175454

>  <SCORE.INTRA.POLAR.0>
-0.130388

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0900022

>  <SCORE.INTRA.VDW.0>
-0.834803

>  <SCORE.INTRA.norm>
-0.246357

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.331421

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051966

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  200.0584  198.3770  236.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0150  198.1029  238.3690 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9169  198.8329  239.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4700  196.8878  238.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0723  195.8206  238.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1866  197.0362  239.2940 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5265  195.9154  239.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2731  195.5291  239.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6509  194.3846  239.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2915  193.6054  240.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5557  193.9697  241.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1782  195.1148  240.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3932  195.4722  241.3773 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6063  196.7590  241.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7594  197.6466  241.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9011  196.9149  242.3477 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9102  195.8712  242.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2450  198.1030  243.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
78.03928203,-176.13966337,-123.90045393,44.73013213,4.20930423,199.08666247
196.41722712,240.33777498,0.18142149,-0.62868157,-1.15173933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447777/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.2337

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-6.1663

>  <SCORE.INTRA.DIHEDRAL>
-3.76368

>  <SCORE.INTRA.DIHEDRAL.0>
10.207

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.28446

>  <SCORE.INTRA.VDW.0>
1.05423

>  <SCORE.INTRA.norm>
-0.342572

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.235206

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000967

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  205.2748  222.4288  254.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8439  221.2795  255.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0005  220.9954  256.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5933  219.8430  257.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7417  219.5519  258.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3176  218.4000  259.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4761  218.1034  260.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4324  219.2159  261.6050 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6141  218.8982  262.7433 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6738  220.0072  263.8354 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.9001  221.2483  263.3599 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4779  220.8706  262.9208 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5337  219.7662  261.8563 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2562  218.6304  262.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1263  219.2768  261.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4672  218.6125  262.5454 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7457  220.4540  264.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8288  222.2068  264.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0279  220.3639  264.2671 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8219  221.1748  263.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3489  220.8072  262.4439 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9983  222.5745  264.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4987  219.1890  263.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7017  221.2095  264.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3634  222.9857  264.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4716  219.7397  264.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-179.58592403,-179.58118600,179.93057056,179.84908527,-62.31303579,179.06257799
173.01504523,77.81921902,177.59276883,61.83618251,-66.23100642,51.89602911
-72.88454604,203.70466937,220.22208721,261.32186432,1.12273890,-0.37325979
-1.67385299

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447786/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.26281

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-10.1372

>  <SCORE.INTRA.DIHEDRAL>
-13.1132

>  <SCORE.INTRA.DIHEDRAL.0>
15.0004

>  <SCORE.INTRA.POLAR>
-0.5735

>  <SCORE.INTRA.POLAR.0>
-0.158885

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.63069

>  <SCORE.INTRA.VDW.0>
-1.01287

>  <SCORE.INTRA.norm>
-0.460781

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.239219

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  199.4352  215.0318  243.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1859  213.7836  244.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4605  213.8619  245.7605 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2360  212.7509  246.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5472  212.8171  247.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8038  211.4103  246.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5642  211.4182  244.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7435  212.6149  244.2217 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1198  210.2455  244.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9373  209.0459  245.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1923  209.0061  246.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6045  210.1865  246.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8578  210.0286  248.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7032  208.8003  248.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2898  207.6710  248.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0252  207.7785  247.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7793  208.7268  249.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7526  209.9462  250.7843 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9154  210.7246  250.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9289  212.0763  250.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1518  212.7440  250.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3304  212.0262  250.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3692  210.8023  251.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1474  210.1702  251.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4272  212.9710  250.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5101  212.7052  249.7584 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9442  214.2048  250.6401 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5682  214.0663  251.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8486  215.3500  250.8311 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5813  216.4437  249.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9312  216.0056  248.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9280  215.0462  247.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1624  213.8989  247.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7072  215.6174  247.6693 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9365  215.9073  252.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9159  215.8268  252.9879 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7935  216.4853  252.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2906  212.6025  243.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2130  209.8501  251.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0359  215.0380  247.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.8036  216.8356  253.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 35  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 40  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <CHROM.1>
-34.57024692,-33.47649398,122.36876621,113.24524103,-66.55710348,111.13476496
74.52789256,-116.94078576,177.38751992,178.66741258,199.69432247,212.50384644
248.57255472,-2.64850400,1.12620622,1.70968943

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447788/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.03951

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.362162

>  <SCORE.INTRA>
-10.3605

>  <SCORE.INTRA.DIHEDRAL>
0.892253

>  <SCORE.INTRA.DIHEDRAL.0>
5.78631

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.40661

>  <SCORE.INTRA.VDW.0>
0.298666

>  <SCORE.INTRA.norm>
-0.280013

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.082149

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009445

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  198.3580  215.0310  254.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8401  216.0257  255.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0787  215.7547  256.1795 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2894  217.2767  254.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8518  218.3193  255.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3835  219.6751  255.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8622  219.9759  254.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3455  221.2116  253.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7841  221.4599  252.2380 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5962  221.2160  251.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7892  220.9511  251.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9349  221.3224  249.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4698  220.8523  248.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7361  220.1265  248.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9779  219.0297  249.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1688  218.3082  249.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0819  218.6409  248.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8455  219.7384  247.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6828  220.4934  247.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5258  217.2712  250.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9565  217.3565  251.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4711  217.0920  251.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9211  215.9911  250.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5383  215.8139  250.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6947  216.7368  251.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2306  217.8387  251.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6110  218.0198  252.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5892  221.9243  249.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0163  222.1465  248.6635 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0117  222.2193  250.9207 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5344  222.0366  252.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8855  222.4107  253.1426 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0815  222.6119  250.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 31  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
179.88304962,-178.87087910,62.28432865,-177.85511978,179.83509945,-102.38408257
50.78263998,-27.63705696,70.86397107,48.18458521,198.52857830,219.13585941
251.59036478,-1.91967878,0.87860254,-0.75268044

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447789/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.62666

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-7.77334

>  <SCORE.INTRA.DIHEDRAL>
-8.54691

>  <SCORE.INTRA.DIHEDRAL.0>
20.3872

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.49989

>  <SCORE.INTRA.VDW.0>
0.205578

>  <SCORE.INTRA.norm>
-0.242917

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.238333

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004530

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  215.1024  188.2757  252.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8902  187.8436  251.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0254  188.6286  250.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4074  189.8819  250.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5300  190.2568  251.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4006  189.4662  252.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6731  191.4729  251.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8988  191.7939  252.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8413  192.2671  250.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6096  190.7133  249.4810 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5343  190.7162  248.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1413  191.5418  247.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1047  190.9985  246.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2568  189.6098  245.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5976  188.8741  247.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2554  189.5830  247.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7449  189.6493  247.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5065  190.5294  247.9316 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2471  188.5555  246.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4327  187.4145  246.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0781  187.5048  246.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4336  186.5601  247.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7259  186.3322  245.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8213  186.4256  244.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6165  187.5782  244.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3879  188.6234  245.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1413  189.7999  245.5820 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2156  193.0035  250.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0818  191.5864  249.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.5684  190.6356  245.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.9302  189.8850  246.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 26  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <CHROM.1>
-12.08890925,178.53513910,-179.02175550,164.50955870,-37.76262395,216.87440814
189.35233269,248.44367292,-3.10290161,0.89666199,-0.43101200

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447790/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.29421

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-1.10579

>  <SCORE.INTRA.DIHEDRAL>
-2.24441

>  <SCORE.INTRA.DIHEDRAL.0>
4.16068

>  <SCORE.INTRA.POLAR>
-0.00621006

>  <SCORE.INTRA.POLAR.0>
-0.748969

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0375282

>  <SCORE.INTRA.VDW.0>
-1.81043

>  <SCORE.INTRA.norm>
-0.0409551

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.307193

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002387

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  210.2704  191.5510  241.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3077  192.9930  241.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4944  193.9700  240.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5598  195.3434  241.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3454  195.7320  242.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1405  194.7950  243.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1541  193.4154  243.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0418  192.5152  244.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3598  197.0156  242.6952 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6937  197.9587  241.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8934  197.5770  240.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8198  196.2767  240.0464 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0860  198.4897  239.3741 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5181  199.3632  239.3741 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.0420  199.4758  240.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3580  198.8411  238.3134 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0550  201.0161  238.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5683  202.1008  239.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3666  203.4180  239.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6593  203.6719  237.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1594  202.6041  237.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3431  201.2566  237.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7523  200.2138  236.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5386  199.1615  236.3811 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.6323  199.6504  237.2693 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.3279  200.7486  235.5368 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.5954  199.2947  242.2409 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7945  200.1209  241.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7058  199.7807  240.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2657  200.6733  239.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7232  202.0533  239.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4188  202.9438  238.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8002  202.4434  237.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6093  204.1931  238.7319 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4466  202.4806  240.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9492  201.5933  241.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0639  197.9594  238.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  2  0  0  0  0
 28 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <CHROM.1>
-120.26946188,68.23424429,-24.60385093,133.70288850,-47.08071912,210.60868405
199.05558890,239.82134889,-1.56162858,1.07650331,-0.47457179

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447791/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.24651

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.288889

>  <SCORE.INTRA>
-6.15349

>  <SCORE.INTRA.DIHEDRAL>
2.76991

>  <SCORE.INTRA.DIHEDRAL.0>
5.52444

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.53845

>  <SCORE.INTRA.VDW.0>
-1.69156

>  <SCORE.INTRA.norm>
-0.17093

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.117959

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  204.8334  217.1442  248.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0776  218.0705  247.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0505  217.9062  245.9661 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5199  219.1974  247.7277 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4706  219.5479  249.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4277  218.6278  250.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4540  219.1024  251.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4874  220.4719  251.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4830  221.3859  250.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4610  220.9234  249.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5208  221.0915  253.5125 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.2787  217.1553  249.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9137  216.4724  249.0287 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3136  216.3968  250.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2443  215.0098  250.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3051  214.3400  251.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4612  215.0723  252.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6005  216.4517  252.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5129  217.1332  251.6027 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2494  219.8788  247.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-173.98418784,203.09594361,218.62486712,250.81753771,-1.73354101,1.09035492
0.89481435

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447792/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.50388

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-0.896122

>  <SCORE.INTRA.DIHEDRAL>
-2.8269

>  <SCORE.INTRA.DIHEDRAL.0>
3.04976

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.517329

>  <SCORE.INTRA.VDW.0>
-0.661432

>  <SCORE.INTRA.norm>
-0.0471643

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.289678

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000125

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  197.1062  179.1822  251.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0972  178.9607  249.5532 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.1896  178.0752  249.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7378  178.6678  249.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5013  180.5806  248.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4782  181.4633  248.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8003  182.7382  248.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1381  183.1685  248.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1493  182.2484  248.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8366  180.9643  248.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4687  184.5710  247.5691 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0543  185.5612  248.5912 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.6343  186.6083  247.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8617  187.7704  247.9707 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8605  186.0943  246.4277 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4547  184.7332  246.4117 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8632  184.4499  245.1555 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0788  185.0951  249.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7032  185.0564  250.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5906  184.6039  251.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8718  184.1950  251.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2683  184.2449  250.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3810  184.6957  249.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5692  183.5245  245.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  8  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-93.61398458,111.50719687,-111.60841828,-60.52346824,198.82360541,182.92228915
248.84374934,-2.29023446,-0.88817679,-0.77104255

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447802/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.95476

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-1.44524

>  <SCORE.INTRA.DIHEDRAL>
-1.81583

>  <SCORE.INTRA.DIHEDRAL.0>
4.43414

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.537322

>  <SCORE.INTRA.VDW.0>
-2.81627

>  <SCORE.INTRA.norm>
-0.0628363

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.302381

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  209.1211  185.2347  250.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3301  184.7715  251.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4977  184.8772  250.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4733  185.4496  249.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2438  185.8879  248.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0765  185.7875  249.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7589  185.6526  248.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9462  187.0041  247.8975 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1439  187.1601  246.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1535  188.3622  245.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9790  189.5606  246.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9135  190.6584  246.2578 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9075  189.3499  248.1657 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7902  188.0948  248.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4802  187.9896  249.9357 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8419  190.5274  249.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4259  190.8565  249.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7851  191.8151  249.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9664  190.0748  250.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5608  189.3184  250.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-129.42602417,-123.19444871,99.24613918,-108.28418124,-7.82424435,211.79078933
187.95300430,248.78510054,2.13742227,-0.90194217,-3.09020782

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447803/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.47322

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-1.92678

>  <SCORE.INTRA.DIHEDRAL>
0.241721

>  <SCORE.INTRA.DIHEDRAL.0>
7.03256

>  <SCORE.INTRA.POLAR>
-0.439775

>  <SCORE.INTRA.POLAR.0>
-0.274932

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.552412

>  <SCORE.INTRA.VDW.0>
-1.23913

>  <SCORE.INTRA.norm>
-0.10141

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.393327

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.308625

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  201.6341  209.0594  246.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3911  209.6814  246.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2834  209.0861  247.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4507  207.8486  248.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7167  207.2362  248.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8009  207.8483  247.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8746  206.0251  248.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7933  205.4242  249.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5061  206.0037  249.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3528  207.2349  248.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1048  207.8809  248.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0217  207.2927  249.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1146  206.0684  250.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3717  205.4103  250.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4482  204.1898  250.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3516  203.6538  251.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1182  204.3050  251.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9907  205.5070  250.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7238  206.3122  250.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3879  206.6354  252.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3650  206.8785  249.8516 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.0078  203.7062  252.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8346  204.0982  252.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3806  202.8263  253.2405 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.9465  209.0968  248.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0340  209.7052  247.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 26  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  2  21  -1  24  -1
M  END
>  <CHROM.1>
-164.05107609,-116.50936032,197.10525225,206.45573079,249.78538985,-0.70467024
-0.25292690,2.58954828

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447804/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.98519

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-2.41481

>  <SCORE.INTRA.DIHEDRAL>
-8.32456

>  <SCORE.INTRA.DIHEDRAL.0>
16.8303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.74747

>  <SCORE.INTRA.VDW.0>
-1.3928

>  <SCORE.INTRA.norm>
-0.0928773

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.191738

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.431599

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  216.0715  181.4819  248.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1550  182.3285  249.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8371  183.7443  249.5867 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9419  184.6815  249.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5093  185.3656  250.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4959  184.1110  249.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6325  183.2782  250.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0015  185.4872  249.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7039  186.5234  248.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0920  187.7870  248.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7618  188.0207  249.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1061  186.9607  249.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7214  185.7288  249.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9534  189.2650  248.6145 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2474  190.4944  249.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5629  190.9317  249.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8107  192.1295  250.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7651  192.8718  251.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4584  192.4099  250.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2001  191.2361  250.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0813  192.6074  250.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0010  189.6541  247.1607 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9972  190.6201  246.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3853  192.1081  246.8999 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7009  192.5009  246.3743 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7278  191.4688  246.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3150  189.9642  246.5553 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.3371  189.5246  245.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6751  193.1469  245.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9088  193.9484  244.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7320  193.6979  243.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1771  192.9927  246.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6931  191.9839  250.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 11  1  6  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 33  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  6  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-95.90980368,-90.50071984,8.88560416,-85.23305574,52.29789526,166.02280915
0.08474765,159.63240591,119.17760927,213.54340788,188.94698263,248.42309194
-0.72026829,1.17473315,-1.10096275

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447805/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.95307

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-5.44693

>  <SCORE.INTRA.DIHEDRAL>
-7.44674

>  <SCORE.INTRA.DIHEDRAL.0>
12.395

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.72356

>  <SCORE.INTRA.VDW.0>
-1.57795

>  <SCORE.INTRA.norm>
-0.170217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.248533

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006404

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  225.0626  186.5843  245.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5939  185.9478  246.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6872  186.1501  247.6837 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.3785  185.5954  248.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5380  184.5929  249.6647 N   0  0  1  0  0  0  0  0  0  0  0  0
  223.2927  185.2803  250.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5057  185.7989  248.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2891  185.5010  247.5692 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.4359  183.9778  247.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2297  183.4678  248.7199 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.5107  182.2495  249.4035 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.2363  181.0927  248.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2129  180.5623  247.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5497  181.0157  247.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4525  180.4659  246.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0335  179.4290  245.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7185  178.9637  245.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8047  179.4996  246.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5756  178.9685  246.7467 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6708  179.4868  247.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9449  180.5330  248.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7173  180.9804  246.5899 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.2717  181.2766  245.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6370  181.9381  245.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5538  183.2575  246.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.9339  183.7776  246.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.8210  184.3214  245.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2719  181.6994  250.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3796  182.4035  251.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 28  1  1  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-174.22382490,-178.23623351,47.55422770,60.99286046,-134.48606034,175.79392911
-60.56311486,169.50707337,225.24018534,182.65248649,247.41936211,0.06743385
0.42478033,0.19408717

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447806/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.81168

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-4.58832

>  <SCORE.INTRA.DIHEDRAL>
-5.06917

>  <SCORE.INTRA.DIHEDRAL.0>
9.23227

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.05374

>  <SCORE.INTRA.VDW.0>
0.412785

>  <SCORE.INTRA.norm>
-0.163869

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.278989

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000120

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  201.4266  207.0720  254.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6013  206.2197  253.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5218  205.9088  252.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2555  206.4411  252.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0900  207.3071  253.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1712  207.6187  254.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1197  206.1546  252.0904 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0780  205.3261  250.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9852  204.6866  250.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8346  205.2669  250.4756 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2675  206.6020  252.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7606  204.6909  249.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
0.53517553,-179.90625044,199.30967679,206.14315221,252.52784334,-0.89815953
0.21821058,-2.21884710

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447807/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.98103

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.418973

>  <SCORE.INTRA.DIHEDRAL>
-0.00323827

>  <SCORE.INTRA.DIHEDRAL.0>
0.00448699

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.417354

>  <SCORE.INTRA.VDW.0>
0.284528

>  <SCORE.INTRA.norm>
-0.0418973

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.598103

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034725

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  220.3150  183.9578  243.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8240  183.9234  242.8343 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.2823  185.3092  242.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0344  186.1030  243.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8116  185.6301  244.5958 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.6883  184.0438  244.3916 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.9491  183.2379  243.9045 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.4888  181.8824  243.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1387  181.6770  241.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7451  183.0050  241.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2062  183.2812  240.5326 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0626  183.2548  245.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1048  184.1228  246.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9986  185.1115  247.0482 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.7719  186.1940  246.1063 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.0044  187.4344  246.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0427  187.0680  248.2509 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.1636  185.8627  248.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7970  188.0966  249.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9720  189.2590  249.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2845  186.5484  248.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2014  186.8510  246.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2011  186.2111  249.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  1  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 17 21  1  0  0  0  0
 19 20  3  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-38.37830948,-170.24807644,217.25771990,185.06251020,245.19169457,-1.09711927
0.79237155,0.63189623

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447808/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.244528

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-6.64453

>  <SCORE.INTRA.DIHEDRAL>
-0.235376

>  <SCORE.INTRA.DIHEDRAL.0>
0.447664

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.52684

>  <SCORE.INTRA.VDW.0>
6.29794

>  <SCORE.INTRA.norm>
-0.302024

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
-0.0111149

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001674

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  206.5070  222.8416  241.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5646  221.5189  240.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2338  221.1641  240.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1384  219.9836  239.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0913  219.2606  239.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6654  219.6859  239.3088 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8318  219.6187  240.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3472  218.6213  241.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8399  217.2201  241.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1167  216.6442  240.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9549  216.5652  242.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1753  220.8825  238.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9598  221.7587  238.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7486  220.9201  237.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5192  218.4453  238.5092 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8441  218.3454  237.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8944  218.7391  236.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7420  217.7725  236.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5295  217.5715  239.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.88322354,-0.48720673,-59.40254105,-55.13012566,8.55677756,-76.31922451
-84.18677902,60.91597866,48.28213905,203.97698589,219.44906867,239.47670846
-0.09886265,0.96612278,1.80532043

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447809/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.82343

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-6.57657

>  <SCORE.INTRA.DIHEDRAL>
-1.91116

>  <SCORE.INTRA.DIHEDRAL.0>
8.68665

>  <SCORE.INTRA.POLAR>
-0.999549

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.22252

>  <SCORE.INTRA.VDW.0>
0.552044

>  <SCORE.INTRA.norm>
-0.365365

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.434635

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031852

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  211.6247  192.5897  248.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3057  193.7702  249.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5902  193.8889  250.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3441  192.8138  251.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6865  192.9424  252.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2257  194.2231  253.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4827  194.3736  254.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4051  195.3445  252.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1634  195.1489  251.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3975  196.1820  250.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3412  195.9173  248.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7917  194.7908  248.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9794  196.7944  248.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6629  196.6818  252.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0984  197.9068  252.2860 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.1810  197.7186  251.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6415  198.0390  252.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0367  199.3245  252.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8406  200.5249  252.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2704  200.4027  252.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9463  199.1266  252.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3013  197.4881  248.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CHROM.1>
-145.49182713,-3.74739173,-37.36862860,212.85601418,196.11864133,251.34498027
1.99206833,1.56136916,3.08504357

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447810/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.76708

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-5.63292

>  <SCORE.INTRA.DIHEDRAL>
-3.37165

>  <SCORE.INTRA.DIHEDRAL.0>
5.12989

>  <SCORE.INTRA.POLAR>
-1.07236

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.301065

>  <SCORE.INTRA.VDW.0>
-1.32833

>  <SCORE.INTRA.norm>
-0.281646

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.088354

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000191

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  182.8700  217.1067  264.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8879  217.3868  262.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4251  217.6439  262.3503 C   0  0  2  0  0  0  0  0  0  0  0  0
  180.7995  218.1627  263.6164 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.6490  217.8688  264.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6787  216.3794  261.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8091  215.8243  262.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0971  215.9339  260.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.5708  215.1213  260.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  1  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
110.86313087,-179.96992421,181.37213641,216.97954228,262.76536021,-1.09302051
-0.19787920,-2.05980786

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447811/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.05941

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-1.34059

>  <SCORE.INTRA.DIHEDRAL>
-1.49909

>  <SCORE.INTRA.DIHEDRAL.0>
2.3817

>  <SCORE.INTRA.POLAR>
0.334524

>  <SCORE.INTRA.POLAR.0>
-0.334524

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.72843

>  <SCORE.INTRA.VDW.0>
1.16436

>  <SCORE.INTRA.norm>
-0.167574

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.632426

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026569

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  207.9667  196.9429  236.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2589  196.2467  237.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5053  195.1296  237.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6202  194.7290  237.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8929  194.4501  239.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2414  193.7071  239.1468 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.4284  194.5905  238.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8966  194.5977  237.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0087  195.3625  237.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6465  196.1581  238.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1811  196.1808  239.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0923  195.3889  239.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6416  192.6555  240.8160 Si  0  0  0  0  0  0  0  0  0  0  0  0
  209.4830  193.8152  242.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4026  191.2483  240.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4014  191.9351  240.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0490  191.9067  239.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3405  191.3939  239.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0051  190.9035  240.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3762  190.9194  241.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0819  191.4305  241.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-1.59103397,-74.64177500,59.42938439,-101.77554700,-52.03498388,-15.13200163
210.35678946,193.77665604,239.37428245,-2.21847271,-0.07279545,2.43125794

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447812/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.65821

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-1.74179

>  <SCORE.INTRA.DIHEDRAL>
-1.34869

>  <SCORE.INTRA.DIHEDRAL.0>
4.93689

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.06745

>  <SCORE.INTRA.VDW.0>
-1.35205

>  <SCORE.INTRA.norm>
-0.0829425

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.459915

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009348

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  200.8694  194.7872  249.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3801  193.5982  250.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4766  193.4128  251.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4757  192.2793  249.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5845  192.2871  248.5418 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5991  190.8997  247.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7572  190.0197  248.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6324  190.7077  246.9786 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9138  190.6210  247.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5080  193.3816  247.4913 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8777  193.8036  247.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7146  194.3613  248.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8292  193.6415  248.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5731  194.0975  249.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2090  195.2756  250.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0938  195.9906  250.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3453  195.5332  248.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4916  193.0951  246.0585 P   0  0  1  0  0  0  0  0  0  0  0  0
  200.3094  192.6701  246.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1954  195.0386  245.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4466  192.8005  244.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0622  193.0208  244.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2815  192.6986  243.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8679  192.1849  242.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2446  192.0302  242.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0196  192.3487  243.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5972  191.0740  246.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4560  190.2286  246.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
68.37951510,177.43596672,8.36540387,144.64505672,69.20736532,163.91241299
-60.35814771,49.95000833,111.86977844,155.72629896,202.25272954,193.05703542
247.31239363,0.90731809,-0.07488880,1.22929186

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447814/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.54083

>  <SCORE.INTRA.VDW.0>
1.43833

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044358

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  200.6224  155.3874  257.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1736  155.5647  256.6838 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0150  155.5930  255.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1787  154.1887  254.6122 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2227  153.3386  255.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4686  153.2842  256.6396 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3275  154.5638  257.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4505  152.3433  257.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9643  154.2099  253.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1706  153.0091  252.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5179  151.9793  253.1746 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9167  153.0869  251.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
176.22768903,-0.56214804,198.90980517,153.86015427,255.00930176,-1.66043762
-1.05743204,-1.95220430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447816/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25165

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-1.14835

>  <SCORE.INTRA.DIHEDRAL>
-1.69261

>  <SCORE.INTRA.DIHEDRAL.0>
1.76749

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.302044

>  <SCORE.INTRA.VDW.0>
0.382095

>  <SCORE.INTRA.norm>
-0.0956957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.520971

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051604

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  185.5632  212.9778  253.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0751  214.4017  253.6250 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.2372  214.9307  254.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2602  216.4594  254.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0626  216.6190  253.2721 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.1332  215.5062  253.3985 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.0408  215.3150  252.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0454  215.7376  254.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0937  214.9779  255.5625 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.1566  216.1434  252.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1748  214.6598  252.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5456  213.8116  251.7987 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
11.81030400,185.29189386,215.09618779,253.51554437,-2.77529270,-0.67508052
0.30086181

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447817/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.54786

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-1.85214

>  <SCORE.INTRA.DIHEDRAL>
-3.97465

>  <SCORE.INTRA.DIHEDRAL.0>
4.19407

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.135187

>  <SCORE.INTRA.VDW.0>
-0.366728

>  <SCORE.INTRA.norm>
-0.154345

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.378988

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004962

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  199.3566  197.3098  237.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7584  197.8089  237.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4295  197.6074  236.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7856  197.9290  236.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4800  198.5025  237.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7706  198.8381  238.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4210  198.4893  238.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8383  198.6415  237.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6670  198.2687  238.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5525  196.8081  238.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0733  196.4134  240.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6543  195.0590  240.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7788  194.1319  239.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3316  194.5064  238.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7393  195.8317  237.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3259  193.5480  236.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8917  194.6343  241.5597 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8316  194.4854  242.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3365  194.4417  244.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0285  194.9941  244.2992 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2144  195.4904  243.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6110  195.3529  241.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6891  195.7027  240.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0230  195.5617  239.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2887  196.1287  241.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2657  196.9590  242.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8694  196.1626  243.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5361  194.9931  245.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2810  195.4428  246.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8010  195.2977  248.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5086  194.8490  248.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7141  194.4802  247.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2491  194.4849  245.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8921  194.7510  249.9409 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.8148  196.2476  246.6806 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.0831  193.7347  244.9545 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2387  193.9857  242.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4060  193.5711  242.2194 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9403  197.4185  241.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9185  194.1959  245.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5490  193.3450  245.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 12  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 27  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 36 40  1  0  0  0  0
 36 41  1  0  0  0  0
 37 38  3  0  0  0  0
M  END
>  <CHROM.1>
-135.87017131,61.20371086,-116.47904527,-77.68027395,76.21083929,48.62786391
203.21029709,195.85213458,242.16383557,1.44012128,0.35502184,-1.32331078

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447826/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.90364

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.292308

>  <SCORE.INTRA>
-5.49636

>  <SCORE.INTRA.DIHEDRAL>
1.67202

>  <SCORE.INTRA.DIHEDRAL.0>
9.4727

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.33237

>  <SCORE.INTRA.VDW.0>
-1.31378

>  <SCORE.INTRA.norm>
-0.140932

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.151375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  214.9370  198.3699  258.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2552  197.5052  257.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5635  196.2527  257.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7833  195.3348  256.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4437  193.9833  256.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6444  193.0364  255.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2026  193.4267  254.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5087  194.7614  254.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2612  195.7107  255.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0623  195.1908  252.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0257  195.8222  251.8721 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0927  194.8274  251.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6947  195.0144  251.9366 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.1321  196.4087  251.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2238  196.5833  252.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0043  195.8917  253.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7530  194.8383  253.3697 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1307  191.2026  255.5732 Br  0  0  0  0  0  0  0  0  0  0  0  0
  213.8812  193.7822  257.7782 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6356  193.1075  257.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5081  193.8881  257.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5017  193.3530  256.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6826  195.2376  257.1284 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4547  196.3107  251.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.5221  195.6623  257.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9757  195.8056  256.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 13 12  1  1  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-177.99806528,161.56364224,126.83151203,102.93528968,-74.92518809,113.72190068
57.51429341,-63.86204507,153.43980998,213.73110946,194.33069681,255.17879826
0.25889919,1.55118192,0.45547507

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447827/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94346

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626087

>  <SCORE.INTRA>
-8.45654

>  <SCORE.INTRA.DIHEDRAL>
-3.30676

>  <SCORE.INTRA.DIHEDRAL.0>
11.675

>  <SCORE.INTRA.POLAR>
-0.925802

>  <SCORE.INTRA.POLAR.0>
-0.074972

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.65543

>  <SCORE.INTRA.VDW.0>
-0.572851

>  <SCORE.INTRA.norm>
-0.367676

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.258411

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  216.5180  189.4417  242.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1010  189.6697  242.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0190  189.1309  243.1312 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6146  189.4417  242.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1443  187.6972  243.4624 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1389  187.3478  244.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0542  188.1801  245.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2248  185.8863  245.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2233  185.0000  244.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1455  185.4470  242.8437 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0760  186.7540  242.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9457  186.9983  241.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2810  183.5020  244.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2986  185.4301  246.9609 Br  0  0  0  0  0  0  0  0  0  0  0  0
  214.1095  184.7841  242.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
177.50557252,128.25988462,214.27930084,186.72824706,244.48797479,-1.28663637
1.47580009,1.99151083

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447828/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35968

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.040315

>  <SCORE.INTRA.DIHEDRAL>
-0.101282

>  <SCORE.INTRA.DIHEDRAL.0>
2.73126

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.010326

>  <SCORE.INTRA.VDW.0>
-0.517405

>  <SCORE.INTRA.norm>
-0.00287964

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.525692

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  207.1026  193.6461  249.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8925  193.8295  250.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0059  193.5596  251.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7653  193.7257  252.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8293  193.4558  254.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5667  193.6152  255.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6601  193.3582  256.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4900  193.5357  257.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6965  193.3580  259.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6182  194.4409  259.3585 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6178  194.1546  260.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7096  192.9553  260.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7777  193.1821  258.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5108  193.1144  257.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5899  193.4179  256.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3879  193.4113  255.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4998  193.7390  253.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2898  193.7984  252.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2469  192.9800  251.7776 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0831  194.8935  252.6294 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2834  195.6764  259.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6003  194.9651  251.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.6045  196.3716  259.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.67370962,179.52949196,179.97033751,179.76762512,179.74701587,177.88537824
-64.91860526,168.69869257,-68.26458513,176.23083382,-64.96361428,74.68321073
-176.82432309,176.94195306,-178.86985017,177.36792316,108.45282913,-179.42470549
205.27056669,193.73285191,255.50241737,-1.42057115,0.08370696,1.53921201

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447829/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.2668

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.01905

>  <SCORE.INTRA>
-3.13323

>  <SCORE.INTRA.DIHEDRAL>
1.94627

>  <SCORE.INTRA.DIHEDRAL.0>
1.40145

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.10637

>  <SCORE.INTRA.VDW.0>
0.758261

>  <SCORE.INTRA.norm>
-0.149202

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.869846

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010970

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  189.8007  210.8683  254.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9156  211.5960  256.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4148  212.8842  256.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2343  213.2606  255.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7512  214.6293  255.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4771  214.9415  255.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4602  214.1020  255.0529 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.1390  214.4708  254.8449 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.2611  214.3027  255.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6148  213.9003  257.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.8369  214.6390  255.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3961  215.0465  254.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0491  215.3067  254.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1552  215.1700  255.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5575  214.7532  256.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9132  214.4776  256.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8834  215.4796  254.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.0793  215.8632  253.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4434  215.7103  253.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6955  215.6740  256.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8926  215.3712  256.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2792  213.9353  256.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2677  213.6212  257.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1110  216.6996  257.1429 Br  0  0  0  0  0  0  0  0  0  0  0  0
  185.5970  213.0900  255.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.9134  215.0105  254.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
44.43960915,-94.80917270,2.93444117,185.93960646,214.79547624,255.88874330
-0.01489257,0.17773777,-2.96912838

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447830/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38844

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-2.01156

>  <SCORE.INTRA.DIHEDRAL>
-1.45852

>  <SCORE.INTRA.DIHEDRAL.0>
4.53485

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.2823

>  <SCORE.INTRA.VDW.0>
1.86598

>  <SCORE.INTRA.norm>
-0.0838151

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.266185

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000141

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  209.7101  173.2282  245.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7002  173.7966  246.0656 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1564  173.8087  245.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1218  173.7755  246.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3012  175.0979  246.6968 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4709  175.1695  248.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7657  175.1300  248.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9763  175.2464  249.8430 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.3916  175.6387  250.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0920  175.0336  251.3871 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3813  175.1199  252.1732 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.7006  173.7813  251.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5534  174.3666  250.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5415  173.5956  248.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5101  174.9190  247.9607 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1513  176.5859  248.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0938  177.8758  247.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3743  178.9059  248.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5061  178.6850  250.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7770  177.3990  250.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4144  176.3918  249.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0053  176.7246  251.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8287  175.8447  251.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9211  175.6889  251.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8722  174.4671  247.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3518  175.9367  246.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4625  174.8022  246.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  6  0  0  0
  8 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 22  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-154.67465911,133.73744855,-49.73916764,67.41543748,-20.56471252,209.62784383
175.43045759,249.06394242,0.41407615,-0.98943672,-3.05014191

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447831/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.74319

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-12.1432

>  <SCORE.INTRA.DIHEDRAL>
2.60035

>  <SCORE.INTRA.DIHEDRAL.0>
3.83704

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.0434

>  <SCORE.INTRA.VDW.0>
25.0049

>  <SCORE.INTRA.norm>
-0.505966

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.1143

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  198.6448  220.7469  259.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2171  221.8808  259.9790 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0322  222.7238  260.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3842  223.6453  259.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3602  224.6665  258.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7833  224.6877  257.7732 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7244  225.5723  259.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0772  221.2582  261.1415 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3494  220.5700  260.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9403  219.5825  261.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3484  220.2855  262.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1634  221.0444  263.4204 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5264  222.1156  262.4358 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.3850  222.8006  263.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8527  223.3939  264.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3646  222.3032  265.5567 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5197  221.5191  264.8615 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.9044  220.3048  265.7427 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4556  220.7679  267.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4183  221.5794  267.8232 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.7613  222.7721  267.0355 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.4951  223.0916  267.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8100  223.3746  269.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7511  222.3711  270.0838 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.9350  221.9865  269.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0409  221.1858  270.4497 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6567  224.0433  266.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8085  219.4025  265.9194 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4683  223.2651  261.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3529  226.2441  259.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3449  221.4168  271.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5224  219.0387  265.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 30  1  0  0  0  0
  8  2  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  6  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
>  <CHROM.1>
-74.06084792,66.43037770,-60.59064176,111.55613269,-179.95836818,61.65784536
-61.86655737,200.33145305,222.18275356,263.96672668,-1.96313291,-1.01549396
1.35752498

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447833/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.28106

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-6.11894

>  <SCORE.INTRA.DIHEDRAL>
-2.38311

>  <SCORE.INTRA.DIHEDRAL.0>
5.00976

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.92739

>  <SCORE.INTRA.VDW.0>
4.73727

>  <SCORE.INTRA.norm>
-0.210998

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.11314

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006735

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  186.4205  215.7173  258.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2615  214.6862  258.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4542  213.8887  257.4472 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8061  214.1563  256.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0240  213.4653  255.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8938  215.1846  256.1958 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.6967  215.9168  257.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7576  216.9076  257.1599 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3180  212.7186  257.4756 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.8147  212.9780  257.2066 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.4483  211.7516  257.8595 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.5335  211.5132  259.0710 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.2355  212.0587  258.7537 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3664  210.0572  259.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8047  209.9650  260.7901 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2232  210.1720  260.8830 P   0  0  0  0  0  0  0  0  0  0  0  0
  186.4108  209.5783  259.7853 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8190  209.7187  262.3564 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0166  211.7499  260.9851 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4907  210.6418  256.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3231  214.1563  257.8481 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0757  217.8632  257.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.9255  216.7013  257.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.3680  210.1756  263.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.3566  212.1747  260.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0266  210.8606  256.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.8462  214.9287  257.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9  3  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  1  0  0  0
 11 12  1  0  0  0  0
 11 20  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <CHROM.1>
-85.85541905,64.01442061,-61.80966588,60.99080582,164.99395639,79.23764129
38.79432700,52.25633612,62.30912639,187.79743363,212.49780264,258.58050154
1.84501739,0.52322937,-0.75788121

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447843/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.58089

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-6.81911

>  <SCORE.INTRA.DIHEDRAL>
-5.13325

>  <SCORE.INTRA.DIHEDRAL.0>
11.4309

>  <SCORE.INTRA.POLAR>
-0.97964

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.921709

>  <SCORE.INTRA.VDW.0>
-1.89117

>  <SCORE.INTRA.norm>
-0.32472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.170519

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006662

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 45  0  0  0  0  0  0  0  0999 V2000
  214.7721  190.8795  244.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5645  191.1342  243.6839 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.0060  192.2288  242.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8014  192.5817  241.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0463  193.5613  242.8153 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.1473  192.6565  243.6868 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1620  191.5431  244.4443 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.5650  190.1206  244.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9118  189.3551  243.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2592  189.8793  242.7833 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.3349  188.9015  242.7080 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1667  187.8599  241.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1779  187.7011  241.1155 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3117  186.8562  241.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4819  186.2916  243.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2199  185.5809  243.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1540  186.4050  243.9228 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.8461  184.5995  242.9329 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.4006  184.9732  244.9929 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.5286  185.4010  243.3239 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.8624  187.2633  244.1935 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.1678  185.8310  241.0148 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.4873  187.4760  241.5520 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.2406  193.6811  244.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3568  194.5403  243.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9998  194.9586  242.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3681  195.5394  241.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0992  195.9776  239.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3532  195.5889  239.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9801  194.6731  240.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5101  194.7799  242.0283 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.1312  196.0770  242.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3938  196.6359  238.8445 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3642  197.3986  239.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1968  197.7453  240.4969 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4808  197.8038  238.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6879  196.5704  237.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4529  195.5247  237.3789 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.9396  196.1067  238.8187 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.8337  196.8376  236.7711 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.6520  198.8443  238.4860 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.2320  198.2542  237.1283 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 31  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  1  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  1  0  0  0  0
 36 42  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <CHROM.1>
-173.86760452,0.36612811,57.68201832,59.49689386,-63.94370523,32.67326997
15.29787701,74.37792637,-60.80222335,211.66185211,191.92124733,241.59690102
-0.39634356,-0.96655807,0.70062844

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447844/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.452018

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.342857

>  <SCORE.INTRA>
-13.948

>  <SCORE.INTRA.DIHEDRAL>
-28.7354

>  <SCORE.INTRA.DIHEDRAL.0>
36.7141

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.419738

>  <SCORE.INTRA.VDW.0>
-3.05097

>  <SCORE.INTRA.norm>
-0.332095

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.0107623

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005841

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 71 75  0  0  0  0  0  0  0  0999 V2000
  204.0220  196.8482  242.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0852  197.9775  242.6135 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5292  197.0705  242.6578 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.4400  198.2217  242.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5016  198.4974  243.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7671  199.9381  243.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0049  200.7734  243.7256 N   0  0  0  0  0  0  0  0  0  0  0  0
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  207.8192  197.3786  237.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0932  201.0014  244.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 31 32  2  0  0  0  0
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M  END
>  <CHROM.1>
-80.64373741,62.72970096,99.44114663,54.99705066,36.94740035,11.66785046
176.68375854,142.91335919,-0.08693464,-63.97298169,-97.49015603,-66.05377006
0.83113488,-55.23640597,-109.16074637,-179.67517103,-155.76775221,-166.18459422
-2.40554779,-178.66304568,-176.78293609,109.68460821,179.09773847,59.48766774
16.26249416,178.63287420,132.26678363,-179.40923924,207.94610618,202.25621380
241.62572520,2.10106725,0.71929231,2.91297801

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447845/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
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>  <SCORE.INTER.REPUL>
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>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.735274

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
62

>  <SCORE.norm>
0.0662036

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023566

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  195.4831  205.1914  262.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6796  204.1498  261.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8648  204.8476  260.3782 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0706  204.0754  259.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9784  204.7547  258.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
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  196.4416  202.7090  256.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5515  202.0308  258.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
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  196.6483  202.0323  255.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5798  202.5936  254.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <CHROM.1>
179.47285516,167.61768405,-0.48500740,-176.08751806,61.73658943,-126.17408104
23.94907162,199.62458301,201.78891390,256.89566162,-2.78134757,0.26139903
-1.92863167

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447846/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.18798

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-3.21202

>  <SCORE.INTRA.DIHEDRAL>
-7.0116

>  <SCORE.INTRA.DIHEDRAL.0>
12.8749

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.293779

>  <SCORE.INTRA.VDW.0>
2.03379

>  <SCORE.INTRA.norm>
-0.110759

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.316827

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002937

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  196.6835  210.7777  264.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8706  211.4513  262.8686 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1670  211.6353  262.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1921  212.1225  263.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4699  212.2737  262.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7762  211.9419  261.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7371  211.4515  260.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4449  211.3018  261.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1578  212.1263  260.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0496  212.6544  261.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7268  213.0476  263.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5688  213.5739  263.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4375  212.8014  263.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5761  211.7591  259.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9338  210.5707  259.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2430  210.2018  257.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0167  210.7750  257.0682 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3832  209.0539  257.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3397  208.7106  258.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4251  207.7414  257.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5266  207.1392  256.7186 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5503  207.4193  255.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6334  206.7047  254.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6643  206.9111  253.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6387  207.8602  254.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5742  208.5952  255.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5305  208.3859  256.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2842  207.3446  258.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0990  206.8439  258.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9806  206.4767  258.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0177  206.5765  260.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1687  207.0506  260.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2868  207.4400  260.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6078  208.0914  261.1069 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
-47.41440501,-37.35691682,178.38585355,0.87365174,8.89777177,152.07271607
200.16097829,209.66258564,259.68415888,1.58516104,0.54329743,0.96236450

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447847/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.68386

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-3.71614

>  <SCORE.INTRA.DIHEDRAL>
-5.09232

>  <SCORE.INTRA.DIHEDRAL.0>
9.93894

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.16998

>  <SCORE.INTRA.VDW.0>
1.37123

>  <SCORE.INTRA.norm>
-0.109298

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.225996

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005263

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 48  0  0  0  0  0  0  0  0999 V2000
  199.9456  209.2246  247.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3298  210.2067  246.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9756  210.7073  247.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3323  211.2860  246.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0322  212.2764  246.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7195  213.0880  245.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3035  212.6631  244.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6437  211.4349  244.8480 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0546  210.4778  243.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5602  209.0892  243.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0824  208.8991  243.4400 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8780  209.5953  244.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3979  209.6160  244.2914 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.2333  210.6049  245.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8201  210.6574  246.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3394  211.6331  247.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0222  209.4907  247.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9015  208.2903  244.4735 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3402  207.4931  243.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5054  213.4118  243.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7456  214.8039  243.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1125  215.4934  242.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1382  214.8282  240.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8667  213.4800  240.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6223  212.7950  242.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4694  215.4720  239.8015 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.6527  214.2305  246.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4166  215.2372  247.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2796  216.3336  247.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3644  216.4867  246.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6177  215.5120  245.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8019  214.3745  245.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9947  212.4927  248.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9746  212.2950  249.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2068  212.8443  248.9604 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4486  213.2034  250.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7641  213.5169  250.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0659  213.9306  251.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0511  214.0579  252.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7401  213.7462  252.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4464  213.3089  251.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7441  209.4840  248.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8549  208.3124  244.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3061  207.3598  243.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0086  212.7919  248.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 45  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
>  <CHROM.1>
-61.27588897,-34.49195270,-43.13217314,-20.94364663,-84.20903074,-36.18906105
40.75545495,-169.34312229,-173.96409047,163.58338226,42.73734812,176.10749245
-115.14371149,-178.34660145,179.53286760,202.29639454,212.30426663,246.04140885
1.38441704,1.41169250,1.62034002

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447848/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.92371

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42439

>  <SCORE.INTRA>
-9.47629

>  <SCORE.INTRA.DIHEDRAL>
-1.70249

>  <SCORE.INTRA.DIHEDRAL.0>
25.9266

>  <SCORE.INTRA.POLAR>
-1.71915

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.77994

>  <SCORE.INTRA.VDW.0>
-5.79135

>  <SCORE.INTRA.norm>
-0.231129

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.193261

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008113

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  196.6123  207.7523  257.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7895  207.9182  256.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7674  206.6752  255.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0551  206.7018  254.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4876  205.4908  254.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8771  205.3816  252.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8064  206.4894  251.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2959  207.7221  252.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8979  207.8335  253.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3381  206.2545  250.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9140  206.9219  249.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1144  207.3714  248.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6904  207.9864  247.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0726  208.1271  247.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8724  207.6569  248.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3210  207.0462  249.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1553  206.5325  250.5424 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5536  207.2481  250.8881 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.6820  206.8647  250.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5017  208.6943  251.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9966  206.5724  252.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7213  207.4636  253.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0468  207.1380  254.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6592  205.9104  255.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9854  205.0033  254.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6390  205.3097  253.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0607  204.2324  252.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4772  203.8708  251.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.72732236,-151.57993897,-141.55284797,-141.90827619,-149.07294936,-86.45354126
-148.43608043,41.37072136,196.15343087,206.73556812,252.11935826,1.23606458
-0.11286752,1.63584414

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447849/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.63029

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-7.76971

>  <SCORE.INTRA.DIHEDRAL>
-9.27758

>  <SCORE.INTRA.DIHEDRAL.0>
19.8839

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.13092

>  <SCORE.INTRA.VDW.0>
-2.61235

>  <SCORE.INTRA.norm>
-0.27749

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.201082

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  188.2544  212.7639  257.4467 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9220  212.8888  259.0182 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.8886  214.3013  259.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7778  212.0370  259.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5653  212.0755  259.9787 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.0805  213.2620  257.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.4342  212.9447  259.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <CHROM.1>
54.69286362,59.59536139,188.29751786,212.72523271,259.13135178,-2.47342242
0.16222860,2.37296148

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447855/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1374

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-0.262596

>  <SCORE.INTRA.DIHEDRAL>
-0.321291

>  <SCORE.INTRA.DIHEDRAL.0>
0.362739

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.101951

>  <SCORE.INTRA.VDW.0>
-0.0495455

>  <SCORE.INTRA.norm>
-0.0525193

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.22748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.348411

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  204.4113  199.7957  246.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9044  198.7109  247.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1303  197.8230  246.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5478  196.4944  246.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8666  195.5189  245.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7230  195.8557  244.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2412  197.1682  244.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9565  198.1520  245.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0920  194.9224  243.9936 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2518  193.5285  243.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5393  193.0078  242.9967 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8396  194.0138  242.3871 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1699  195.1416  242.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6745  196.6932  242.3620 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.9727  197.0860  241.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3279  197.2428  241.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7901  198.3607  242.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9320  196.0389  242.1539 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1506  195.8826  242.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6297  194.5816  243.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8420  194.3428  243.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5748  195.4240  244.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1035  196.7244  244.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8866  196.9557  243.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7527  195.2147  244.7600 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.9186  193.5358  242.6075 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.9991  192.7264  244.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7005  191.5523  244.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3699  191.2119  245.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0047  192.1647  246.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1580  193.0600  246.2266 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5949  195.2013  241.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
122.71595110,18.06746684,-147.21924919,84.00735712,-63.96474052,-101.72968261
-178.15049772,202.87356692,195.51574890,244.11121228,0.48437672,-0.45803626
-0.10903923

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447858/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.81924

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.58076

>  <SCORE.INTRA.DIHEDRAL>
1.31741

>  <SCORE.INTRA.DIHEDRAL.0>
12.2831

>  <SCORE.INTRA.POLAR>
0.698175

>  <SCORE.INTRA.POLAR.0>
-0.698175

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.61326

>  <SCORE.INTRA.VDW.0>
-1.90803

>  <SCORE.INTRA.norm>
-0.0832504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.31675

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  224.2057  174.3250  243.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8984  175.2530  242.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8441  176.7089  242.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7506  177.3524  243.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3789  176.7548  243.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9826  176.8871  245.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3468  177.4450  242.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1430  177.4289  242.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1587  176.8831  242.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.1212  178.7226  243.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.9752  179.1796  242.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-87.46370340,-2.33168689,119.81063230,178.07687457,223.41849301,176.79753054
243.16708302,-0.02139271,-0.23458205,3.06364095

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447859/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37129

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-2.02871

>  <SCORE.INTRA.DIHEDRAL>
-3.68598

>  <SCORE.INTRA.DIHEDRAL.0>
5.0242

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.185716

>  <SCORE.INTRA.VDW.0>
-0.228663

>  <SCORE.INTRA.norm>
-0.202871

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.637129

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006613

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  209.6865  194.1938  242.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2522  194.2631  241.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9730  194.0336  240.1532 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9859  194.6934  241.0387 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7532  195.1363  241.7790 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0591  195.6439  240.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8138  194.2608  239.7540 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.6653  194.3441  238.7172 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.0750  195.1493  237.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9410  195.1452  236.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7558  193.7506  235.8822 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.5622  193.8061  234.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2008  193.5530  235.5526 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1387  192.4115  236.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4482  191.7006  236.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7567  192.5559  236.8964 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.9698  192.9847  238.3973 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5190  191.8151  239.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5232  192.1839  240.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6947  193.1409  240.9208 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.6610  194.0373  242.1897 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.1805  194.4566  242.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5277  194.0910  243.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1125  194.4631  243.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2506  194.2275  244.3856 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9129  195.1018  242.3834 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1281  195.0546  241.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8845  192.1277  241.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8702  191.5454  236.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7012  194.7533  236.1447 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9660  193.9798  238.9393 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5803  195.4235  235.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7373  194.0672  239.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  6  0  0  0
  8 17  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  6  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  1  0  0  0
 21 22  1  6  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
-1.31851425,168.94967450,50.84949174,62.36158064,-128.35400408,204.65683165
193.83583322,239.61846919,-0.90397520,0.01209148,-1.72692625

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447860/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.17295

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.270968

>  <SCORE.INTRA>
-7.22705

>  <SCORE.INTRA.DIHEDRAL>
-9.39225

>  <SCORE.INTRA.DIHEDRAL.0>
11.617

>  <SCORE.INTRA.POLAR>
-0.699354

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.153121

>  <SCORE.INTRA.VDW.0>
-0.632966

>  <SCORE.INTRA.norm>
-0.233131

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0378371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001840

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  212.3564  193.2660  241.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6284  193.4318  242.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0348  193.4158  243.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6015  193.5630  241.8120 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4838  194.0876  240.8789 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.1837  195.4626  241.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8861  196.2907  240.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5366  197.7221  240.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0421  198.5247  239.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7343  199.8663  239.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9046  200.4107  240.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3819  199.6129  241.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7077  198.2737  241.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8747  194.4272  241.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5046  196.2535  242.4218 Se  0  0  0  0  0  0  0  0  0  0  0  0
  215.0248  195.7647  244.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9299  195.0699  245.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5554  194.6625  246.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2708  194.9421  246.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3669  195.6422  246.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7413  196.0518  244.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  1  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-63.41500009,-157.48498253,-179.94537763,-125.17940640,67.21817357,57.61324608
214.22684967,196.02572523,242.49112081,0.77121912,1.26836045,3.13653219

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447861/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.56727

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-2.83273

>  <SCORE.INTRA.DIHEDRAL>
0.0322011

>  <SCORE.INTRA.DIHEDRAL.0>
3.62862

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.84883

>  <SCORE.INTRA.VDW.0>
-1.43621

>  <SCORE.INTRA.norm>
-0.134892

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.407965

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.110171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  206.9575  210.9722  238.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3257  210.4362  237.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2274  211.0850  237.1185 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0765  212.4111  236.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4861  212.7293  235.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3688  214.0380  234.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8092  215.0321  235.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4223  214.7412  236.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6219  213.4577  237.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6148  216.6288  235.0534 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.6547  209.0759  238.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8352  208.4182  238.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7710  207.2115  239.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4341  207.0118  239.3376 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6962  208.1366  238.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5194  208.3880  239.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9050  205.9814  240.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6557  205.8622  240.4556 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4778  204.6823  241.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2543  204.1768  241.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2312  202.9563  242.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4148  202.2702  242.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6420  202.7567  242.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6432  203.9440  241.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9500  204.7161  240.5510 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.1004  208.8324  237.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5714  209.9910  238.1384 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.0960  207.9275  237.7442 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.9354  209.0789  236.2715 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.2149  206.4241  238.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
-169.64537411,-136.68714951,64.79516104,175.17316211,208.60851130,208.96018153
238.48329375,1.40091205,0.33216694,-0.43286004

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447862/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.69759

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-3.70241

>  <SCORE.INTRA.DIHEDRAL>
-6.61838

>  <SCORE.INTRA.DIHEDRAL.0>
11.6937

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.393219

>  <SCORE.INTRA.VDW.0>
-1.0203

>  <SCORE.INTRA.norm>
-0.127669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.196469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  218.0139  195.2114  248.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5539  194.7928  248.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8910  195.1084  247.2530 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.2132  194.5558  247.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9961  193.2396  247.2564 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7512  192.7780  247.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7211  193.5822  247.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9387  194.8973  248.2292 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1917  195.3821  247.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3538  196.8453  248.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3636  193.0007  248.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0973  193.1031  249.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2220  193.6713  247.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.32097822,-89.08166206,113.70399008,213.43723608,194.40994060,248.06629212
-0.26113171,-0.05680192,-3.05707463

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447863/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.85984

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-0.540164

>  <SCORE.INTRA.DIHEDRAL>
-0.220786

>  <SCORE.INTRA.DIHEDRAL.0>
2.78671

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.429771

>  <SCORE.INTRA.VDW.0>
-0.444694

>  <SCORE.INTRA.norm>
-0.0415511

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.604603

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  221.9403  193.1567  238.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7393  192.7993  239.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8387  193.5641  239.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5596  193.2253  241.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1844  192.1179  241.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0817  191.3399  241.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3794  191.6749  240.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6501  190.2228  242.2774 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1704  189.8624  243.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9932  190.5075  244.1519 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6654  188.6137  244.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2248  188.2528  245.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8914  187.0450  245.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9920  186.1853  245.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4223  186.5371  244.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7557  187.7498  243.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2747  194.6693  239.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8214  189.7435  241.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.0430  195.0459  239.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
179.79033491,6.94863737,178.75928635,223.00689636,190.52171949,242.33422562
1.39437402,-0.74379305,-0.83033000

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447864/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.07195

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-1.32805

>  <SCORE.INTRA.DIHEDRAL>
-2.90769

>  <SCORE.INTRA.DIHEDRAL.0>
3.03727

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.125795

>  <SCORE.INTRA.VDW.0>
1.03832

>  <SCORE.INTRA.norm>
-0.0781206

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.357173

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  215.9383  183.7154  253.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4703  184.9968  253.6337 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0498  184.9192  254.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4975  186.2750  254.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7727  187.3601  253.5908 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1694  187.4174  253.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6350  186.0578  252.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8903  188.4409  253.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9592  189.3635  254.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8433  188.4528  252.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9706  189.4809  252.2968 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2194  189.1057  251.2414 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2005  189.9783  250.6688 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.6313  189.3910  249.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7369  188.7492  248.5071 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.3249  187.6854  249.3343 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7374  188.0142  250.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6917  187.4915  251.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5717  186.0605  251.1851 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.6906  189.7960  248.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9438  190.3536  246.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0667  191.1979  246.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4058  191.1373  248.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5804  190.2904  248.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0606  190.3058  251.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3595  189.2378  252.0542 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.5387  190.9420  252.7241 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.1595  191.1570  251.0679 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.8971  187.0247  248.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  1  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
81.37991430,-177.82717750,-60.69840656,-108.59835550,211.52870158,188.39217598
251.34147002,-0.63908035,0.54443871,-1.27509371

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447865/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.30974

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-7.09026

>  <SCORE.INTRA.DIHEDRAL>
-7.19025

>  <SCORE.INTRA.DIHEDRAL.0>
8.23849

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.49513

>  <SCORE.INTRA.VDW.0>
-0.694013

>  <SCORE.INTRA.norm>
-0.253224

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0824908

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000915

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 42  0  0  0  0  0  0  0  0999 V2000
  194.8170  211.9123  246.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3311  210.8514  246.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6747  210.4109  247.8988 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6290  210.5920  246.7281 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2005  209.6270  247.6309 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.7026  209.4627  247.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4482  209.7245  246.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0303  210.3907  244.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2074  211.5409  244.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9741  212.1984  243.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4875  211.6700  242.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1828  210.4657  242.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4681  209.8330  243.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2317  212.3885  241.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3988  212.7442  240.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1622  208.4697  248.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0251  207.4345  248.2294 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.8345  208.1311  247.4595 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6160  207.3764  248.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6761  205.8430  247.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1065  205.1521  247.4503 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3257  206.1411  247.5006 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.5542  205.3959  247.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8684  204.3742  246.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9505  203.8250  246.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3894  204.1125  246.2350 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7933  202.7120  246.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1829  201.7418  245.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6779  201.4041  245.5219 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.4540  202.7075  245.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0927  200.2495  244.6994 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5330  199.9650  244.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6636  198.4552  244.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3909  197.9446  245.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3704  199.0270  245.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6895  204.5118  244.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7525  207.9302  245.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 17 16  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  6  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  6  0  0  0
 27 28  1  0  0  0  0
 29 28  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
177.44800360,-177.44474011,42.08201531,124.73463066,178.71444891,197.99278197
206.66536713,245.74003111,1.81709704,1.01226093,-0.28487404

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447874/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.35095

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.281081

>  <SCORE.INTRA>
-9.04905

>  <SCORE.INTRA.DIHEDRAL>
-17.4953

>  <SCORE.INTRA.DIHEDRAL.0>
27.2172

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.301409

>  <SCORE.INTRA.VDW.0>
1.59881

>  <SCORE.INTRA.norm>
-0.244569

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.0365122

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001993

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  194.2385  213.4682  256.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3473  213.5101  258.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1863  212.4331  259.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3237  212.6030  260.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6602  213.8150  260.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8725  214.8524  259.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6907  214.6920  258.3658 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2614  216.1866  259.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5409  217.2219  258.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9805  218.4947  258.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1136  218.7645  259.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8361  217.7616  260.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4036  216.4911  260.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6373  220.0442  259.9458 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2408  220.1672  260.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9112  211.1409  258.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9230  211.1110  258.1923 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3896  209.9452  259.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2334  209.8471  261.4006 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
19.44817859,177.72423399,134.54140373,-89.44449877,192.45486069,213.85055003
259.82925386,-0.69834742,0.94742204,-0.84789365

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447875/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.37461

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-1.02539

>  <SCORE.INTRA.DIHEDRAL>
-1.32614

>  <SCORE.INTRA.DIHEDRAL.0>
6.40638

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.362318

>  <SCORE.INTRA.VDW.0>
2.49981

>  <SCORE.INTRA.norm>
-0.0539678

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.440769

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000404

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  200.4700  193.1593  246.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2215  192.5012  244.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0485  192.7701  244.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1033  193.7157  244.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3256  194.3697  245.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5352  194.0698  246.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3889  195.3459  246.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1074  195.1749  247.8364 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2670  196.0478  248.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6752  197.0212  247.6930 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0304  197.1261  246.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8723  196.3185  245.7921 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4446  198.1321  245.6833 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9548  195.8952  249.6956 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9068  193.9246  243.9218 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6457  195.2089  243.3978 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2026  197.7971  244.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9795  198.9869  245.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1217  194.9451  249.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0537  196.3001  249.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1042  193.4892  244.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3803  195.4952  242.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6301  195.9052  244.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <CHROM.1>
-119.50935157,132.78468476,-22.34361801,-138.66381020,60.74447220,197.42381743
195.10647803,246.10630280,-0.57156017,-0.77966554,1.47211597

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447876/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.88137

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-0.518628

>  <SCORE.INTRA.DIHEDRAL>
2.49014

>  <SCORE.INTRA.DIHEDRAL.0>
1.60948

>  <SCORE.INTRA.POLAR>
-0.238546

>  <SCORE.INTRA.POLAR.0>
-0.75982

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.952642

>  <SCORE.INTRA.VDW.0>
-0.947916

>  <SCORE.INTRA.norm>
-0.0324143

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.617586

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000123

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  213.7751  188.7757  246.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0985  188.3860  244.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9332  187.2459  244.2954 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5837  189.4254  243.9576 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9434  189.2434  242.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7323  189.3616  241.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8608  188.1075  241.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4979  186.9213  240.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7684  185.6245  241.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1605  185.1569  242.6657 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4840  184.0326  243.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3779  184.2333  244.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7077  183.1673  244.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1321  181.8588  244.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2427  181.6465  243.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9133  182.7045  243.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9883  182.3994  242.3033 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.6885  180.3971  243.4657 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.4574  180.6915  245.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4221  181.0134  245.9150 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.9378  179.8367  244.1701 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.3089  179.9497  245.8556 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.6403  183.4275  245.4140 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.9304  185.4829  244.2431 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.7309  190.3305  244.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2155  185.9087  243.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
83.99717642,-75.27841739,-74.25926728,167.47872119,-76.97598402,174.35227935
-94.66872895,-2.82011646,212.27998855,184.37921941,243.79651577,0.86996927
0.95439316,0.38858848

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447877/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.92225

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-3.47775

>  <SCORE.INTRA.DIHEDRAL>
3.44171

>  <SCORE.INTRA.DIHEDRAL.0>
2.51952

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79861

>  <SCORE.INTRA.VDW.0>
-0.938611

>  <SCORE.INTRA.norm>
-0.144906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.413427

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000085

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  218.1281  182.5410  242.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1005  183.7153  243.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1589  185.0156  243.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1390  186.1554  244.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0376  186.0066  245.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9638  184.7093  245.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9972  183.5783  245.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8898  182.0383  245.9372 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.9099  187.3273  246.6476 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.1754  187.7907  243.3466 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.3253  188.4403  243.9474 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0685  187.6753  241.9103 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8938  188.6585  243.9385 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5758  188.3493  244.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8048  187.4560  243.7370 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1104  186.6818  242.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1074  189.1562  245.2627 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9834  188.5566  246.5488 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5714  187.4661  246.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.2501  189.5486  244.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3693  190.1371  245.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.3586  187.7397  246.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.4370  189.1798  247.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <CHROM.1>
-123.65028652,87.77663300,-37.71448126,-105.01649648,-57.16542433,217.35315824
186.25729206,244.53610133,-0.87278371,1.13208293,-0.75541490

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447878/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27575

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-4.12425

>  <SCORE.INTRA.DIHEDRAL>
-0.690952

>  <SCORE.INTRA.DIHEDRAL.0>
5.95192

>  <SCORE.INTRA.POLAR>
-0.461944

>  <SCORE.INTRA.POLAR.0>
-0.538056

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.20816

>  <SCORE.INTRA.VDW.0>
-1.91218

>  <SCORE.INTRA.norm>
-0.229125

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.348653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000170

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  210.3035  189.6612  235.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5788  189.4412  236.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5946  189.1914  237.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9167  189.0295  238.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3380  188.6194  239.4746 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.7074  189.2222  237.0548 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8543  189.4381  236.0306 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1620  189.6504  234.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1885  189.2019  237.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9505  189.1540  238.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3429  189.1441  238.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0403  189.2319  237.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3398  189.2897  235.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9365  189.2548  235.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-8.87149870,214.10537557,189.20229204,237.15508254,-3.07598282,-0.01650402
1.76440671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447879/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19949

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.200507

>  <SCORE.INTRA.DIHEDRAL>
-1.81378

>  <SCORE.INTRA.DIHEDRAL.0>
2.09005

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.706384

>  <SCORE.INTRA.VDW.0>
-0.0610047

>  <SCORE.INTRA.norm>
-0.0143219

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.442821

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  197.7614  206.0961  247.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8995  205.8742  245.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7848  204.9903  245.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7408  205.5577  244.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6891  204.7748  244.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6757  203.3995  244.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6981  202.8124  245.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7416  203.6161  245.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5902  201.4600  245.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3762  200.6476  244.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8213  200.6893  242.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7022  199.9121  241.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3530  200.6696  241.8922 S   0  0  1  0  0  0  0  0  0  0  0  0
  199.0199  200.1399  240.6571 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9706  202.3949  241.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3462  203.3476  242.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8980  204.6612  242.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0643  205.0654  241.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7170  204.1156  240.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1594  202.7912  240.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5177  206.4848  241.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1848  207.2891  240.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5623  208.6710  239.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0526  208.5795  239.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4024  207.8766  240.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9811  206.4801  241.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7405  206.9317  244.3408 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7656  207.7639  244.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6751  208.9776  244.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9070  207.1848  245.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2760  205.2633  245.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9490  207.3918  243.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  6  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
99.19980298,-69.72674444,175.70281916,-62.49875642,-163.97915368,117.18973201
109.27163045,196.79170030,204.50668821,243.03493201,-2.86415755,1.40752656
-1.81481900

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447880/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.88908

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-4.51092

>  <SCORE.INTRA.DIHEDRAL>
5.30871

>  <SCORE.INTRA.DIHEDRAL.0>
1.64419

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.16527

>  <SCORE.INTRA.VDW.0>
0.693548

>  <SCORE.INTRA.norm>
-0.145513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.254487

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000621

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  204.7498  211.4484  249.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3614  211.1078  247.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7290  209.8704  247.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4929  208.9572  247.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8271  209.2954  249.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4758  210.5399  249.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8639  207.6783  247.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5728  206.6488  247.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0836  206.6135  249.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4989  206.5177  250.2231 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8549  205.4887  246.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4698  205.4388  245.7486 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5864  204.4592  247.4279 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9497  204.4119  248.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7928  203.6818  246.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  3  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.21102814,-0.27737409,206.07883076,207.91051439,248.08605099,-2.35078083
1.01998608,-2.21055076

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447882/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.77911

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-1.62089

>  <SCORE.INTRA.DIHEDRAL>
-3.71821

>  <SCORE.INTRA.DIHEDRAL.0>
3.72322

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.238216

>  <SCORE.INTRA.VDW.0>
-0.374982

>  <SCORE.INTRA.norm>
-0.124684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.444547

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004313

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 65 69  0  0  0  0  0  0  0  0999 V2000
  193.5631  193.8964  239.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3057  195.3800  239.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3438  196.2196  240.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0478  197.7086  240.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0793  198.5396  240.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7155  200.0215  240.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7886  200.8189  241.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5039  202.3171  241.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5831  203.0262  242.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3288  204.5230  242.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4143  205.1472  243.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2297  206.6458  243.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2873  207.3082  244.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9969  208.7861  244.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9907  209.4152  245.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6913  210.8673  246.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4381  211.7156  245.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6474  211.1145  247.5981 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3851  212.4551  248.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9293  212.9104  247.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1607  213.1011  248.8475 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5613  213.0310  246.5818 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2110  212.9617  245.9812 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.0547  211.6013  245.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7828  210.5740  246.3555 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4954  210.8261  246.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5210  212.0109  247.7205 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.9598  213.2346  246.8728 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.8816  213.5679  245.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1324  212.1572  248.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8950  209.2365  245.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0252  208.2871  246.9658 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.2526  208.5679  247.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5529  207.4205  248.7857 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9200  206.1918  247.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8923  205.8759  246.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0169  206.8714  246.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0203  206.4948  245.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8760  205.1646  245.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7604  204.1941  245.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7784  204.5611  246.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6346  203.6040  246.8587 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5906  202.7826  245.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4286  201.9172  245.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3968  202.3897  244.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5816  203.3461  243.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7964  204.7814  244.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0570  205.6384  243.5818 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5686  202.9320  242.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3158  201.5635  242.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0764  200.6112  243.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1276  201.0225  244.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8783  203.9008  242.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4770  203.7626  241.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1337  207.4528  245.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7472  207.8372  249.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4151  208.8436  249.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0398  207.0234  250.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4192  207.1500  249.6091 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0762  210.4430  248.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3377  212.9475  245.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1716  214.3323  245.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7162  203.6502  247.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.5282  208.3386  245.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1950  207.9404  250.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 61  1  0  0  0  0
 23 22  1  1  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  6  0  0  0
 28 29  1  6  0  0  0
 29 62  1  0  0  0  0
 32 31  1  6  0  0  0
 32 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 56  1  1  0  0  0
 34 59  1  0  0  0  0
 35 36  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 55  1  0  0  0  0
 39 47  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 43  1  0  0  0  0
 41 42  1  0  0  0  0
 42 63  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 52  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 49  1  0  0  0  0
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 49 53  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 53 54  1  0  0  0  0
 55 64  1  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
 59 65  1  0  0  0  0
M  END
>  <CHROM.1>
-177.72565573,179.38311516,-174.02002357,-178.47044235,178.70822904,176.93646655
-175.81309936,177.32845366,-178.19501099,179.25025163,-175.84743946,175.46324194
-178.03420809,-47.62223279,70.69974208,114.37988488,-104.88143217,163.09307781
-56.94605902,-59.02218310,-11.10193236,-59.91451072,23.30282825,45.38173063
-139.18292366,195.12221877,206.19064033,245.18451592,-1.77113420,-0.41290607
0.36860767

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447883/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.09391

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447458

>  <SCORE.INTRA>
-19.3061

>  <SCORE.INTRA.DIHEDRAL>
-1.37318

>  <SCORE.INTRA.DIHEDRAL.0>
15.5726

>  <SCORE.INTRA.POLAR>
-1.22456

>  <SCORE.INTRA.POLAR.0>
-0.884757

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-14.456

>  <SCORE.INTRA.VDW.0>
2.69839

>  <SCORE.INTRA.norm>
-0.327222

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
59

>  <SCORE.norm>
0.120236

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034174

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 53  0  0  0  0  0  0  0  0999 V2000
  201.4292  191.4669  246.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4779  192.6512  245.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8072  192.4588  244.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7290  193.4565  243.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3245  194.7177  243.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9661  194.9608  245.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0812  193.9064  246.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8675  194.0960  247.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5630  196.6637  245.6584 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.8635  197.6220  244.8291 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5706  196.8627  247.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1632  196.5721  245.0661 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2000  196.1219  245.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7720  197.1095  246.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8642  196.8267  247.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3798  195.5411  247.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7935  194.5344  246.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7065  194.7986  246.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1732  193.7078  245.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2998  192.5337  245.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4645  194.0941  243.9836 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9627  193.2239  242.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5716  193.7978  241.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0623  193.0057  240.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9586  191.6289  240.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3662  191.0348  242.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8736  191.8332  243.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2952  189.5497  242.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8115  188.9032  241.3226 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6986  189.0115  243.4567 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9132  189.3087  244.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1771  189.1888  243.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0998  189.7371  244.4908 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3823  190.0426  245.6770 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0214  189.8120  245.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0518  189.9467  246.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9644  190.4114  246.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3661  190.0954  248.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9599  190.4668  249.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1698  191.1542  249.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7873  191.4641  248.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1929  191.0875  246.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5266  189.4561  244.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6136  188.6386  242.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2756  195.7492  242.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9795  193.1266  242.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3891  197.4680  244.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.1373  195.0422  243.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3597  188.0704  243.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 31 35  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 44  1  0  0  0  0
 33 34  1  0  0  0  0
 33 43  1  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <CHROM.1>
20.39878351,-90.29001032,-85.17473202,-157.06980282,-164.65570776,-4.40103951
-52.39744436,-56.80806722,-148.92237678,204.32297197,192.78403165,245.03687840
2.37516546,-0.68988295,0.52035306

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447884/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.02295

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313043

>  <SCORE.INTRA>
-10.377

>  <SCORE.INTRA.DIHEDRAL>
-1.77814

>  <SCORE.INTRA.DIHEDRAL.0>
12.1636

>  <SCORE.INTRA.POLAR>
-0.692722

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.13272

>  <SCORE.INTRA.VDW.0>
-2.69147

>  <SCORE.INTRA.norm>
-0.225588

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.0874555

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000030

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  208.6428  189.0174  251.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3266  187.6966  251.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7170  186.9876  250.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3393  185.7981  251.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5643  185.3223  252.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7328  185.1719  249.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1222  183.8807  249.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5061  183.3060  248.4411 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5551  184.0484  247.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2489  185.3665  247.3290 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7472  186.0703  248.5004 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.5756  187.3291  248.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9802  188.5829  248.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7041  189.7657  248.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0715  189.6911  249.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6674  188.4340  249.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9278  187.2626  249.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7495  190.8770  249.2049 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4747  191.0461  250.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1366  191.0083  248.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5682  191.5806  249.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3313  185.9516  246.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9650  187.0761  245.7783 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9108  184.9825  245.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2563  185.3493  243.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7545  184.4519  242.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8670  183.0736  243.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3671  182.2449  242.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7489  182.7955  240.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6385  184.1601  240.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1402  184.9904  241.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2336  181.9992  239.8590 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.0529  183.4314  245.8397 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.2028  182.8948  250.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  9 33  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 33  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
179.78391556,0.45301029,-166.58933268,-123.78075623,90.59581355,127.38877742
2.33143869,211.84965873,186.17018692,247.27901687,2.10097131,1.15831158,0.50122662

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447885/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.85291

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-7.54709

>  <SCORE.INTRA.DIHEDRAL>
-8.56463

>  <SCORE.INTRA.DIHEDRAL.0>
17.9618

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.26478

>  <SCORE.INTRA.VDW.0>
3.2185

>  <SCORE.INTRA.norm>
-0.221973

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.142733

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  202.1737  201.5228  251.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8779  201.9738  251.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4258  202.1280  250.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3096  201.8477  249.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6071  201.3680  249.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0319  201.2163  250.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5285  201.0398  248.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4874  202.1859  247.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7098  202.3918  249.2249 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.9788  203.6875  250.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8247  203.6133  251.3795 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6450  204.7887  249.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0119  202.5972  249.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9235  204.1169  249.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5705  204.5946  248.1082 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.2583  204.7148  248.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1458  204.4319  247.6052 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5720  205.1770  249.7105 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1967  202.7110  251.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9672  205.6571  249.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6634  204.7926  249.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6662  204.1550  246.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6420  204.4614  250.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9940  205.9655  249.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <CHROM.1>
93.42087936,96.30220995,69.18377962,-97.56711766,130.55169153,-130.50691639
75.14921074,-85.52648311,147.86299145,88.97948038,202.34877073,203.08747160
249.45340753,0.23722177,-0.07326695,2.50889267

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447886/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.87566

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.855556

>  <SCORE.INTRA>
-10.5243

>  <SCORE.INTRA.DIHEDRAL>
0.813767

>  <SCORE.INTRA.DIHEDRAL.0>
8.90987

>  <SCORE.INTRA.POLAR>
-1.93387

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.35608

>  <SCORE.INTRA.VDW.0>
-1.37205

>  <SCORE.INTRA.norm>
-0.584686

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.27087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012540

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  189.6816  215.9200  257.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2831  215.7405  257.8088 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3527  216.1179  256.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0170  215.3916  256.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9577  215.7761  255.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7567  217.2865  255.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0713  218.0023  255.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1386  217.6373  256.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0797  216.2804  258.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
157.79122687,186.81438330,216.48058983,256.65933101,-0.36969213,-0.29988033
-0.36131082

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447887/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.96852

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.431478

>  <SCORE.INTRA.DIHEDRAL>
0.586992

>  <SCORE.INTRA.DIHEDRAL.0>
0.0675512

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.724974

>  <SCORE.INTRA.VDW.0>
1.11808

>  <SCORE.INTRA.norm>
-0.0539348

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.746065

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.033860

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  198.0628  207.8200  254.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5896  208.7830  255.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8630  209.2139  255.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9762  208.8438  254.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9183  208.0923  253.5565 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0827  209.5063  254.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2483  209.2493  254.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6310  209.2415  256.2415 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7448  208.9052  257.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4297  210.2382  256.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
111.39887334,0.25753072,-179.89127672,200.19701400,208.84732986,254.80429755
2.98999063,0.22865495,0.90423833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447888/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.88801

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-1.51199

>  <SCORE.INTRA.DIHEDRAL>
-1.69282

>  <SCORE.INTRA.DIHEDRAL.0>
2.17028

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.665585

>  <SCORE.INTRA.VDW.0>
2.16495

>  <SCORE.INTRA.norm>
-0.188999

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.861001

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010476

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  225.0701  184.9726  241.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9906  186.4365  241.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9129  187.1234  240.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7443  186.9106  241.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4719  188.3133  241.3875 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.9828  188.5288  241.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6285  188.0301  243.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4605  188.7043  244.1999 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.5178  187.6551  245.3204 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.2734  187.3948  246.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2814  185.9395  246.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5611  185.0918  246.2951 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.9414  185.9037  246.3588 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.7355  187.4477  246.2415 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.9909  188.2347  245.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9846  188.8633  244.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9184  188.9915  243.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2381  189.2522  242.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8481  185.1621  245.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1060  183.8697  244.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7034  184.4233  244.6428 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.4779  183.6223  243.6926 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.4048  182.3787  244.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2860  184.4802  244.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2973  185.1919  244.4100 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6087  183.1463  242.3684 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7270  184.2058  241.3677 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.0097  183.6197  239.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7699  182.9246  239.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6395  183.9212  239.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5551  184.9643  240.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6697  185.1599  241.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7291  184.2321  247.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6808  189.9366  244.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  1  0  0  0
 13 14  1  0  0  0  0
 13 19  1  6  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 22 26  1  0  0  0  0
 24 25  3  0  0  0  0
 27 26  1  1  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
179.52252181,174.33204493,-66.47439228,-69.23315635,174.04413495,222.56142415
186.00255544,243.41286632,-2.47046685,1.01188432,1.66706993

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447889/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37337

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.305882

>  <SCORE.INTRA>
-4.02663

>  <SCORE.INTRA.DIHEDRAL>
-2.30228

>  <SCORE.INTRA.DIHEDRAL.0>
3.70951

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
7.9399e-05

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.87589

>  <SCORE.INTRA.VDW.0>
-1.99054

>  <SCORE.INTRA.norm>
-0.11843

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.187452

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001885

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  193.9711  212.8055  256.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2251  212.1085  255.8567 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0321  212.9341  255.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0651  212.3446  254.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0414  211.7643  254.7897 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4834  212.4733  253.1065 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6907  211.9982  252.0992 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0221  212.1664  250.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2833  212.8272  250.3126 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.0133  211.7661  249.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1155  211.2758  248.3212 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.7174  212.4754  247.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9397  213.5059  248.2812 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.8335  214.0036  249.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6811  212.8445  248.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0780  211.6511  249.7608 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8494  210.6273  248.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2209  211.6801  254.5059 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.2454  212.7897  253.5849 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4207  211.0755  255.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2907  210.3872  253.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4680  210.1937  252.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7275  209.2073  251.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8208  208.4210  252.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6626  208.6013  253.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4050  209.5831  254.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8906  207.2307  251.5560 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.3403  212.9630  252.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  8 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  6  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-174.94459629,-88.08027145,95.90325332,176.38673412,153.12198466,192.14307806
211.26260736,252.24879924,-0.47468288,-1.17297642,-0.47251755

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447898/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.48872

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-4.91128

>  <SCORE.INTRA.DIHEDRAL>
0.307462

>  <SCORE.INTRA.DIHEDRAL.0>
2.74015

>  <SCORE.INTRA.POLAR>
-0.420893

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.63398

>  <SCORE.INTRA.VDW.0>
-2.42529

>  <SCORE.INTRA.norm>
-0.181899

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.203286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  210.8171  187.9106  257.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3436  188.3429  257.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2354  189.8180  257.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7549  188.1825  256.0497 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5059  186.8011  255.5565 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0941  186.3082  255.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7421  186.6808  254.0046 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.0519  187.7413  253.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5639  189.0620  252.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8432  189.9852  252.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6560  189.6173  251.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1524  188.3301  251.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8472  187.4080  252.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0037  187.9965  251.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3589  186.7786  251.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7172  189.4340  253.5959 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3403  190.6631  253.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1232  186.6375  253.7239 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3869  188.6770  255.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5169  187.5315  253.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
70.89086507,90.97947604,-49.53092230,78.82051236,-70.90919182,176.57418058
-176.62420817,208.15853638,188.19962046,253.98921295,0.63693603,0.71614239
2.22331711

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447899/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.84412

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-6.55588

>  <SCORE.INTRA.DIHEDRAL>
1.08593

>  <SCORE.INTRA.DIHEDRAL.0>
2.39794

>  <SCORE.INTRA.POLAR>
-1.60514

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.64136

>  <SCORE.INTRA.VDW.0>
1.90197

>  <SCORE.INTRA.norm>
-0.364215

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.269118

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000129

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 38  0  0  0  0  0  0  0  0999 V2000
  190.3417  209.6113  257.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5406  211.0888  257.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4196  211.6649  258.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6503  213.0146  257.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6998  214.0449  258.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0867  215.3524  257.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4116  215.6574  257.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3813  214.6550  257.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0022  213.3368  257.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7967  214.9900  257.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1329  216.2120  256.8634 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4407  216.4800  256.5852 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7945  217.8042  256.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0173  218.7538  256.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2175  218.0846  255.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5674  219.4161  255.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8609  219.7519  255.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8158  218.7317  255.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4775  217.4067  255.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1804  217.0795  255.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2174  221.1720  254.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2383  221.2687  254.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.1700  221.8438  254.3410 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.5989  221.9065  255.9773 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.3753  213.9567  258.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9747  212.8829  259.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8199  212.9061  260.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6392  213.3947  261.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7895  213.0145  262.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6042  212.3142  261.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0077  212.2523  260.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8803  211.6639  261.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5147  211.5681  262.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3063  211.1402  260.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1243  215.7342  256.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6440  211.3315  259.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
-178.89708799,61.56582698,27.26712729,1.05335967,-178.18870820,178.02189317
-153.50358242,53.54136596,98.62007671,2.61865952,0.40282613,194.61064282
215.53096793,257.69949037,2.40372396,0.34214819,2.25806306

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447900/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.7515

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-11.6485

>  <SCORE.INTRA.DIHEDRAL>
-15.3792

>  <SCORE.INTRA.DIHEDRAL.0>
21.9512

>  <SCORE.INTRA.POLAR>
-0.88413

>  <SCORE.INTRA.POLAR.0>
-0.375751

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.952872

>  <SCORE.INTRA.VDW.0>
0.529881

>  <SCORE.INTRA.norm>
-0.342603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.110338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000090

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  213.5620  175.9666  241.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9995  177.1037  242.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0671  177.6055  242.9953 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7452  178.6412  243.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6098  179.1076  243.9385 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8656  179.0676  244.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1554  178.5472  244.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0942  179.4282  245.7196 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.8219  180.3899  246.1936 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7051  180.1136  245.5513 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6608  177.5426  243.7864 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9749  177.2042  243.8454 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3587  176.2578  243.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7786  175.8502  243.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1743  174.8504  242.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5319  174.5401  241.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4842  175.2293  242.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0862  176.2138  243.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7294  176.5153  243.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9126  174.9339  242.5734 N   0  3  0  0  0  0  0  0  0  0  0  0
  224.2238  174.0691  241.7420 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7209  175.5678  243.2656 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.0471  177.0802  243.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
-179.93213878,2.93694293,3.27976048,178.66145170,-178.56809527,-178.22251810
218.02839314,177.16149946,243.58387356,2.75594798,-0.16854545,0.77807123

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447901/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.52285

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-5.87715

>  <SCORE.INTRA.DIHEDRAL>
-8.59486

>  <SCORE.INTRA.DIHEDRAL.0>
8.81772

>  <SCORE.INTRA.POLAR>
-0.398681

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.224205

>  <SCORE.INTRA.VDW.0>
-0.304484

>  <SCORE.INTRA.norm>
-0.267143

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.251039

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  187.0819  218.4164  261.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9198  218.8864  260.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0008  218.2872  259.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3081  217.0454  258.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2969  217.4408  257.5797 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.5271  215.8298  258.5384 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.7170  220.1389  260.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <CHROM.1>
120.04436605,187.60670713,217.59439725,259.22226552,1.37919980,-0.67634665
0.73646761

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447902/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39924

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-0.000764257

>  <SCORE.INTRA.DIHEDRAL>
-0.00159733

>  <SCORE.INTRA.DIHEDRAL.0>
0.00172744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
3.44063e-05

>  <SCORE.INTRA.VDW.0>
-0.649449

>  <SCORE.INTRA.norm>
-0.00010918

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.914177

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011125

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  192.5574  212.4926  259.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4596  211.8210  259.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0833  212.4936  257.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8954  213.8679  257.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8755  214.5368  258.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2406  213.8198  259.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4376  216.0359  258.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5505  216.6695  259.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6997  215.9834  259.9216 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8631  216.7499  260.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7716  218.1985  260.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5218  219.1766  259.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9922  220.4325  260.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9438  220.1568  261.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7924  218.8191  261.3023 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6644  215.9341  261.5668 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.1506  216.6077  257.5328 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.6456  214.3732  256.7772 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.0803  217.0677  261.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 19  1  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
>  <CHROM.1>
-179.92744063,179.81144260,-1.47665069,-179.47456415,191.35246206,216.03322169
259.56947429,0.65884329,-0.71059434,2.93442802

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447903/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.86682

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-4.53318

>  <SCORE.INTRA.DIHEDRAL>
-8.97764

>  <SCORE.INTRA.DIHEDRAL.0>
9.04543

>  <SCORE.INTRA.POLAR>
-0.376289

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.23502

>  <SCORE.INTRA.VDW.0>
-1.8727

>  <SCORE.INTRA.norm>
-0.251843

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.270379

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000073

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  191.2788  214.3979  253.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9848  214.8262  253.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1353  216.1920  254.3272 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0667  216.7353  254.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0347  216.1551  255.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3892  218.1223  255.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6319  218.7131  255.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9528  219.9614  255.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0398  220.6374  256.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7750  220.0558  256.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4548  218.8091  256.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3391  221.9628  257.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6965  221.7181  258.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8324  220.9825  258.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6131  219.6653  259.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6876  218.7985  259.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9898  219.2418  259.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2161  220.5506  258.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1403  221.4216  258.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6763  220.6556  255.2748 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-179.60008091,3.83391935,0.61563586,-100.00508113,63.29952761,-105.47697020
191.22534950,219.25315837,256.28975666,-2.02257687,0.18041478,0.70787728

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447904/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.48807

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-3.91193

>  <SCORE.INTRA.DIHEDRAL>
-2.40357

>  <SCORE.INTRA.DIHEDRAL.0>
7.72246

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.71015

>  <SCORE.INTRA.VDW.0>
1.09775

>  <SCORE.INTRA.norm>
-0.195596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.374404

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001270

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  209.3309  197.1155  246.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6897  196.4229  246.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7592  195.0936  247.3626 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9057  194.3004  246.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8210  192.7907  247.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4718  195.0951  248.8828 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9862  195.1893  249.3028 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6981  193.8655  249.4065 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.8751  193.2541  250.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7091  193.5103  251.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7312  194.6132  251.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4223  195.7461  250.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5094  195.7359  249.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8215  197.2025  249.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9380  197.6065  249.3268 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7421  198.0101  249.8138 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0239  199.3991  249.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  1  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
157.20119628,-159.05682631,78.01270176,61.62726570,-115.84875742,-177.43928953
210.40277205,195.63218960,249.10074089,-0.54023310,-0.94674442,-2.74396927

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447905/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03531

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-5.36469

>  <SCORE.INTRA.DIHEDRAL>
-0.358034

>  <SCORE.INTRA.DIHEDRAL.0>
4.2552

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.18567

>  <SCORE.INTRA.VDW.0>
4.30183

>  <SCORE.INTRA.norm>
-0.31557

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.355018

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001407

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  223.3469  186.5363  242.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2226  185.5748  243.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2811  185.6017  244.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5529  184.6599  245.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4615  184.7343  246.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2210  185.6854  247.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0390  186.5825  246.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0740  186.5564  245.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8849  187.4806  244.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.8030  187.1146  243.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7034  187.4335  247.4207 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7161  188.8291  247.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4605  183.8460  247.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7736  183.0911  246.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3715  184.0439  248.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4589  183.2459  249.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8197  183.8387  250.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8842  183.0965  251.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5891  181.7731  250.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2392  181.1929  249.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2038  181.9126  249.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5662  181.0852  251.5397 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6958  179.7195  251.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6374  179.0180  251.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5136  179.1485  252.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5491  177.7692  252.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4958  177.1235  253.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3537  177.8608  253.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3056  179.2517  253.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3978  179.8914  252.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1582  179.9124  253.8447 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2667  181.2060  254.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3380  177.0971  254.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8588  177.4333  255.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5010  175.7718  253.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6068  174.9107  252.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1077  183.8455  252.5446 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 35  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
100.44245158,0.56242037,-132.41741566,-48.79705105,-179.42979425,-145.46926394
-145.95062603,1.16067560,178.91117996,-59.61442883,124.23285588,140.56191333
220.25356691,182.33218188,249.74646746,-0.22121467,-0.89788489,-2.64501068

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447914/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.3509

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47027

>  <SCORE.INTRA>
-5.04915

>  <SCORE.INTRA.DIHEDRAL>
14.629

>  <SCORE.INTRA.DIHEDRAL.0>
7.71408

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.3637

>  <SCORE.INTRA.VDW.0>
14.2791

>  <SCORE.INTRA.norm>
-0.136463

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.333807

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000716

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  212.8528  180.8207  247.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2476  181.3635  247.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2550  181.5010  245.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6498  181.7268  245.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5469  180.5174  245.5909 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.5165  180.1793  247.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3959  180.4707  247.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3859  179.9959  249.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4518  179.2617  249.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5645  178.9965  248.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5757  179.4488  247.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7908  178.2745  249.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6796  178.1183  248.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8435  177.7941  250.7341 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9508  177.0930  251.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8197  176.5173  252.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8603  175.7430  253.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0513  175.5554  252.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1957  176.1507  251.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1591  176.9284  250.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0984  174.6775  252.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9721  174.1385  254.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2098  174.5495  252.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9156  180.6823  244.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8634  181.5906  245.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1551  181.6707  244.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1342  182.5716  245.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4146  182.5863  244.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7313  181.7008  243.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7542  180.8257  243.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4612  180.8056  243.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5539  179.9609  243.2878 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3130  179.9307  243.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4150  182.7566  248.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0031  177.8070  251.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.9103  173.9829  252.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 36  1  0  0  0  0
 24 33  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
73.50871601,179.53264671,-172.22265051,-1.60992303,179.49578738,218.95335967
179.21035069,248.09147054,2.07691881,0.24715963,-1.00042898

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447915/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.11347

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.276471

>  <SCORE.INTRA>
-2.28653

>  <SCORE.INTRA.DIHEDRAL>
-3.8746

>  <SCORE.INTRA.DIHEDRAL.0>
4.70904

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.349231

>  <SCORE.INTRA.VDW.0>
0.0215597

>  <SCORE.INTRA.norm>
-0.0672508

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.20922

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012173

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  184.1521  207.0477  252.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3814  207.8029  254.1450 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8178  207.9192  254.5042 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.5965  209.0471  253.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1860  210.4894  253.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0133  211.4306  254.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3241  212.6004  254.6775 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0440  212.4457  254.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9662  213.3403  254.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7585  212.9376  253.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6535  211.7096  253.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7415  210.8293  253.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9568  211.1714  253.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9606  207.7880  256.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8425  208.3886  256.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0737  207.0237  256.7058 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9108  207.3292  254.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.6809  213.4469  255.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.1870  206.9718  257.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  1  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
83.73481792,58.57432050,-147.78481572,117.42870249,-179.31227343,185.11018348
210.00594256,254.43061659,1.25091553,0.60718182,3.01364086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447916/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.839

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-4.561

>  <SCORE.INTRA.DIHEDRAL>
-4.7954

>  <SCORE.INTRA.DIHEDRAL.0>
6.97726

>  <SCORE.INTRA.POLAR>
-0.331075

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.03764

>  <SCORE.INTRA.VDW.0>
-0.464113

>  <SCORE.INTRA.norm>
-0.285062

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.302438

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000677

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  185.3648  221.5464  257.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2666  221.1931  256.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7425  219.8066  256.5714 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6645  219.4550  257.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1882  218.9098  258.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4687  219.7715  259.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0536  219.2919  261.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3650  217.9400  261.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0618  217.0631  260.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4683  217.5411  258.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5395  218.8290  256.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5115  218.1772  256.5497 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2554  218.5201  254.7373 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7003  218.5048  257.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.7258  219.1415  254.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.2501  218.5564  254.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
86.05482366,-92.31148794,83.26787009,89.61899553,85.48245511,184.09874417
219.11495369,258.02539417,-0.38945706,1.45072787,0.66631144

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447917/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.02532

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-4.37468

>  <SCORE.INTRA.DIHEDRAL>
-1.17858

>  <SCORE.INTRA.DIHEDRAL.0>
4.28582

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.78539

>  <SCORE.INTRA.VDW.0>
1.0377

>  <SCORE.INTRA.norm>
-0.336514

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.463486

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.171777

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  203.9369  207.3144  269.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7744  206.6300  268.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8727  206.9951  266.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9425  206.4647  266.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6055  205.3209  266.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4162  204.8436  267.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5456  205.5360  268.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4417  204.5856  265.6713 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0579  203.2704  265.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0669  202.7040  265.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9315  202.6967  264.5040 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7300  201.3725  263.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7402  207.6649  266.0138 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.6937  209.1573  266.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3511  207.1585  266.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8873  207.4733  264.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1121  206.0851  263.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3580  205.0023  264.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6488  203.6982  264.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6848  203.4573  263.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4329  204.5213  262.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1524  205.8263  263.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7784  203.2041  264.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  1  13   1
M  END
>  <CHROM.1>
78.48698719,-116.45741015,-1.14580781,50.65120487,44.43027937,205.21646239
205.33730656,265.60792894,-2.30791466,0.79523881,-2.02917900

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447918/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27283

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-2.12717

>  <SCORE.INTRA.DIHEDRAL>
1.86452

>  <SCORE.INTRA.DIHEDRAL.0>
3.3738

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.05942

>  <SCORE.INTRA.VDW.0>
2.43236

>  <SCORE.INTRA.norm>
-0.0966894

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.376038

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001437

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  200.2966  212.1044  251.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6412  210.8597  250.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8822  209.6966  250.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1730  208.5471  249.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2361  208.5440  249.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9857  209.7079  248.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7006  210.8517  249.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4820  207.3874  248.2405 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7324  206.2449  247.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5303  205.3975  247.3297 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7155  206.0328  247.1266 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6730  207.2636  247.5984 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2366  206.0331  248.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6832  205.0473  247.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4401  204.4159  247.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7181  204.3393  249.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9548  205.1990  249.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3870  207.2442  248.1479 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4982  208.3547  247.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5314  208.5545  246.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6387  209.7303  245.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6631  210.7152  245.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6302  210.5520  246.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5698  209.3992  247.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7325  209.8048  244.8286 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6510  210.8465  245.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4842  207.1383  248.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
14.52969211,148.38464959,41.65833745,-5.62622435,-116.47818769,199.98570654
208.17313226,247.93790237,-0.50807165,1.27959075,2.13439224

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447919/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.99465

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.40535

>  <SCORE.INTRA.DIHEDRAL>
2.3913

>  <SCORE.INTRA.DIHEDRAL.0>
7.39632

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.601

>  <SCORE.INTRA.VDW.0>
-0.712269

>  <SCORE.INTRA.norm>
-0.0925136

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.307486

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  209.6879  199.8035  254.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6679  200.6915  254.0390 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3216  200.1648  254.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2391  201.1526  253.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0915  201.2349  252.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1100  202.1943  251.5786 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.3094  203.4912  252.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2100  204.2114  252.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3888  205.4352  253.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6672  205.9614  253.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7688  205.2595  253.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6006  204.0314  252.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8145  203.2688  252.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4630  202.2026  251.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3485  201.4359  251.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6700  202.4492  250.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6987  201.3914  249.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4327  201.6095  247.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1278  202.8878  247.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0733  203.9451  248.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3390  203.7285  249.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8306  200.8082  253.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
175.15404342,74.17307143,-83.39949758,-40.83562276,-66.94191373,207.47177062
202.62060358,251.75987960,-0.17327107,1.22234510,-2.77911074

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447920/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.06286

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-2.33714

>  <SCORE.INTRA.DIHEDRAL>
3.63072

>  <SCORE.INTRA.DIHEDRAL.0>
0.764258

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.752503

>  <SCORE.INTRA.VDW.0>
-1.68227

>  <SCORE.INTRA.norm>
-0.111293

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.383946

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028312

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  190.3742  212.4349  262.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8728  213.8681  262.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9032  213.9764  261.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2792  214.4696  259.9835 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3700  213.6838  261.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1670  212.2707  261.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4651  211.0862  261.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1173  209.8110  261.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4907  209.6676  262.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3152  210.7935  263.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7032  212.0584  263.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7993  214.9325  262.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4966  216.1429  262.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8810  217.2728  262.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5879  217.1922  263.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9275  215.9723  263.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5265  214.8596  262.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6742  213.7586  259.8247 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.3295  213.0071  259.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5761  215.2017  259.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6957  215.6282  258.3352 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.5776  215.3082  258.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.6137  215.0781  256.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7564  217.1379  258.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  1  21   1
M  END
>  <CHROM.1>
-102.74009588,-54.10605760,-67.15324005,11.64563843,158.05170571,96.78059496
-44.83355535,187.25626674,213.96075688,261.24820232,-1.62236330,1.12945241
-0.48911909

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447921/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34453

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-7.05547

>  <SCORE.INTRA.DIHEDRAL>
4.96569

>  <SCORE.INTRA.DIHEDRAL.0>
4.75136

>  <SCORE.INTRA.POLAR>
-1.37058

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.87835

>  <SCORE.INTRA.VDW.0>
2.4054

>  <SCORE.INTRA.norm>
-0.306759

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.232371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016772

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  196.3497  216.1848  252.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3952  215.1599  252.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5667  213.9431  252.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6411  213.7877  253.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5725  214.8284  254.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4510  216.0124  253.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7061  217.2146  253.3508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.8336  214.6830  255.2254 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.8493  212.5072  254.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9839  212.0421  254.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4977  211.7850  255.4190 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.4853  212.6164  252.6610 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.9724  215.4209  251.3183 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.2117  217.4182  251.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9670  217.2599  250.4199 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3882  218.9623  252.4081 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-46.28813218,130.81182537,196.42977834,215.03261408,253.23589965,1.47593546
-0.57253666,-0.47231924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447922/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.07895

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-1.32105

>  <SCORE.INTRA.DIHEDRAL>
-6.325

>  <SCORE.INTRA.DIHEDRAL.0>
20.4563

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.84145

>  <SCORE.INTRA.VDW.0>
-2.77048

>  <SCORE.INTRA.norm>
-0.0825656

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.379934

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000150

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  187.1766  223.5003  257.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5739  222.1584  258.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5311  221.3057  258.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3536  221.6380  258.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0438  219.9190  258.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6949  219.4777  260.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5634  219.3305  260.5918 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8311  219.1841  260.8413 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5813  218.7440  262.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4145  218.9717  257.7488 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2596  218.3838  257.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
0.22534865,116.98794616,61.96368486,120.08274494,-179.42031652,186.82479927
220.24089241,259.11140701,-2.49189119,1.48819023,-2.95876227

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447930/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2028

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-0.197246

>  <SCORE.INTRA.DIHEDRAL>
-0.00676626

>  <SCORE.INTRA.DIHEDRAL.0>
2.11441

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.193863

>  <SCORE.INTRA.VDW.0>
2.71946

>  <SCORE.INTRA.norm>
-0.0179314

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.927523

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.056570

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  189.9093  211.3106  260.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8184  209.9545  260.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9941  208.9992  261.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3127  209.3710  262.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3905  210.7523  263.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1791  211.7101  262.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5433  208.3645  263.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9352  208.5353  265.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1256  207.6229  266.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9068  206.4904  265.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5115  206.2846  264.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3477  207.2173  263.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0683  206.9453  262.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1320  207.7685  262.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-133.79620287,16.83066008,190.57446645,208.70557902,263.23619842,1.96596799
1.11032134,-1.14181982

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447931/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34473

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.0552717

>  <SCORE.INTRA.DIHEDRAL>
0.286441

>  <SCORE.INTRA.DIHEDRAL.0>
2.64183

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.198492

>  <SCORE.INTRA.VDW.0>
-0.368249

>  <SCORE.INTRA.norm>
-0.00425167

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.488056

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042483

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  202.7448  194.3687  248.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4902  195.4425  249.2061 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8812  196.5573  248.5041 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6266  197.6311  249.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3916  195.7207  249.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9797  196.2792  248.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <CHROM.1>
179.99759683,202.18568368,195.99991294,248.85512392,0.91528954,0.98771888
-2.29551940

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447932/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-7.60654e-06

>  <SCORE.INTRA.DIHEDRAL>
-5.49819e-06

>  <SCORE.INTRA.DIHEDRAL.0>
0.00247802

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.85745e-06

>  <SCORE.INTRA.VDW.0>
0.586074

>  <SCORE.INTRA.norm>
-1.90164e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.6

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.097846

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 33  0  0  0  0  0  0  0  0999 V2000
  207.0736  209.6881  255.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8403  210.8741  254.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8599  211.5668  254.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8748  210.9010  253.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9241  211.8457  252.6716 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1857  211.4025  251.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0931  209.8929  251.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7799  209.4562  250.8692 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.5539  210.3075  251.2949 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.7978  211.7674  251.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2816  209.9741  250.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8290  208.5980  251.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9114  207.5154  250.7897 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.3306  207.9984  251.2961 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4277  207.0096  251.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8792  205.6078  250.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4954  204.9842  250.6453 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5525  206.0350  251.3334 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.1159  205.6516  250.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1975  204.6752  249.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6787  204.6209  249.3362 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9333  205.2406  248.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3844  204.5625  246.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7422  205.5605  245.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1158  205.3088  244.8207 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4675  206.7976  246.3909 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0071  206.6860  247.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9974  203.5426  251.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1579  209.5379  249.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  6  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  1  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
174.98657656,-176.97933511,114.83797079,206.71696401,207.88319485,250.58332068
1.24252305,1.14727774,1.07364120

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447933/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.60315

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.289655

>  <SCORE.INTRA>
-2.79685

>  <SCORE.INTRA.DIHEDRAL>
-4.7654

>  <SCORE.INTRA.DIHEDRAL.0>
5.2179

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.414151

>  <SCORE.INTRA.VDW.0>
-2.63806

>  <SCORE.INTRA.norm>
-0.0964431

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.193212

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004901

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  207.5348  188.4234  253.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3333  187.3474  253.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2152  187.9403  252.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1199  187.6054  250.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9972  188.2085  249.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1663  188.9321  248.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0730  189.5402  247.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2398  190.2650  246.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1433  190.8684  245.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3073  191.5764  244.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2122  192.1773  243.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3817  192.8907  242.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2910  193.4922  241.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4572  194.2093  240.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3281  194.8317  239.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4499  195.5441  238.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2448  195.0681  237.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8577  196.8668  238.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7776  197.6813  239.2641 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.3318  197.5700  237.6420 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.8609  196.7052  239.5907 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
-120.54836240,-120.07873866,-179.97760040,-179.86223162,-179.80304234,179.26463367
-179.93222192,-179.79477575,179.95581772,-179.72997426,179.85346039,-179.69086076
-105.51359609,47.11204068,209.26638099,192.50225874,244.06029077,1.59270786
-0.91402278,2.15588196

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447934/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.9545

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.92381

>  <SCORE.INTRA>
-1.44547

>  <SCORE.INTRA.DIHEDRAL>
0.233362

>  <SCORE.INTRA.DIHEDRAL.0>
1.81634

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.56215

>  <SCORE.INTRA.VDW.0>
-0.82816

>  <SCORE.INTRA.norm>
-0.0688319

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.854978

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.126384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  203.9332  210.6869  251.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0102  211.9269  251.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9453  212.5261  249.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5831  211.4254  251.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5332  213.0003  252.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5597  212.4928  253.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9193  213.5785  251.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3086  214.5898  252.1582 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <CHROM.1>
-63.66231947,202.89086824,213.27715092,251.80735258,-1.25827496,-0.57014152
0.54120332

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447935/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25238

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.14762

>  <SCORE.INTRA.DIHEDRAL>
-0.0182261

>  <SCORE.INTRA.DIHEDRAL.0>
0.0471869

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.138507

>  <SCORE.INTRA.VDW.0>
4.65459

>  <SCORE.INTRA.norm>
-0.0184525

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.781547

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001991

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  199.6126  205.4322  249.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0317  206.7418  250.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2869  207.1131  249.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1808  207.5646  250.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4733  207.9509  250.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8835  207.9317  248.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9669  207.5340  247.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6869  207.1164  248.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2924  208.3521  248.5476 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6564  209.7836  248.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9243  210.8955  249.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4918  212.1883  249.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5083  212.2586  250.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9704  213.5004  250.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4226  214.6741  250.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4142  214.6081  249.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9486  213.3697  248.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5512  210.9802  248.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1386  209.7143  249.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9582  210.5836  248.8304 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4653  208.2599  249.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5707  207.8688  249.7052 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2721  207.5724  249.2682 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3141  206.2012  249.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4260  205.4505  248.1878 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1425  204.1416  248.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6819  203.9514  249.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7747  205.4286  250.6857 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.7338  207.5593  251.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4692  206.7483  252.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1437  210.1503  248.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  1  0  0  0
  9 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-125.31625780,119.61347722,-62.73914049,-41.43147329,-3.71319944,57.47899334
204.73948950,208.53393821,249.66126535,2.02774271,-0.12694332,-3.12553620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447936/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93763

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-3.46237

>  <SCORE.INTRA.DIHEDRAL>
-2.08846

>  <SCORE.INTRA.DIHEDRAL.0>
15.4654

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.41814

>  <SCORE.INTRA.VDW.0>
-0.356078

>  <SCORE.INTRA.norm>
-0.115412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.231254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000085

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  193.4728  207.2907  249.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9391  208.7043  250.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6565  208.6206  251.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9978  209.1873  249.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7063  209.6296  250.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3088  210.3416  249.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1809  211.1620  249.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4232  211.2877  250.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7894  210.5693  251.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9231  209.7497  251.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3739  212.1444  250.0983 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4697  212.5559  248.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5600  211.9835  248.2291 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5814  213.4950  248.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5529  213.9602  248.8585 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.2697  214.5782  247.6583 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.0401  212.9058  247.0093 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.8577  212.1428  247.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
-90.45932143,-0.21858741,190.99385661,211.21525766,249.34999941,-0.53249151
0.60683386,-1.19989715

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447937/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39348

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.00652197

>  <SCORE.INTRA.DIHEDRAL>
-0.000184416

>  <SCORE.INTRA.DIHEDRAL.0>
1.48304

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00642976

>  <SCORE.INTRA.VDW.0>
1.26705

>  <SCORE.INTRA.norm>
-0.000383645

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.43491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  198.7039  190.2205  248.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1327  189.8330  248.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5090  188.6033  249.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2137  189.6623  246.7412 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3187  188.5519  246.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0309  187.2138  246.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2957  187.3539  244.7042 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.7178  186.7490  245.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0473  187.6378  246.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4089  189.3691  246.4147 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.7625  190.0003  248.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0538  191.5088  248.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4203  192.1540  249.3874 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4767  193.2143  249.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9170  193.7666  250.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7753  192.7653  248.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1877  192.6564  250.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3502  193.6562  249.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2795  191.5393  250.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0309  190.8912  245.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7601  192.1519  246.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5245  190.6842  244.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-62.01358755,-100.06447705,43.25823161,-60.60826761,123.22259465,-62.69051704
-57.69699762,-178.87956717,-177.18364984,-177.31968164,141.92776299,-174.84780749
-57.61511932,202.23710684,190.25971847,247.49272422,2.16307523,-0.03134485
-2.43791073

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447946/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.2008

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.836364

>  <SCORE.INTRA>
-7.19919

>  <SCORE.INTRA.DIHEDRAL>
4.56136

>  <SCORE.INTRA.DIHEDRAL.0>
1.91565

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.47987

>  <SCORE.INTRA.VDW.0>
12.25

>  <SCORE.INTRA.norm>
-0.327236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.509128

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004339

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  188.5831  213.7469  251.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1747  215.0190  252.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0226  216.0599  251.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6457  217.2905  252.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4890  218.3853  251.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1028  219.6584  251.8144 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8471  220.7044  250.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0630  221.8548  251.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8343  222.6419  252.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5776  223.7710  252.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2501  224.5374  253.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1591  224.1684  254.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3835  223.0582  254.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7443  222.2917  253.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8584  224.9272  255.3730 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1862  224.4783  255.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1664  223.2111  256.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1576  222.2316  256.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6529  221.4210  255.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9564  220.3184  255.3846 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4890  219.5487  254.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6172  219.7922  253.0965 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2998  220.9122  252.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8647  221.7592  253.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7948  223.1440  253.2534 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.3923  221.1835  251.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0710  225.7201  252.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8478  219.9668  252.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4663  221.6124  256.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.58388095,-179.90587053,-179.95932998,-175.77898245,163.41504740,67.58059685
90.52960705,-92.24711788,-71.83063853,136.77415672,-85.09974100,-86.21730321
188.95912415,221.21701396,253.31149054,-1.81223635,-0.63003804,0.17023617

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447947/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.99589

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.644444

>  <SCORE.INTRA>
-7.40411

>  <SCORE.INTRA.DIHEDRAL>
10.1786

>  <SCORE.INTRA.DIHEDRAL.0>
2.50368

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.09342

>  <SCORE.INTRA.VDW.0>
1.68348

>  <SCORE.INTRA.norm>
-0.274226

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.370218

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  215.9469  195.2948  240.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3783  196.6217  240.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9166  197.2897  239.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9752  196.5658  237.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5450  195.2576  237.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0278  194.5905  238.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7866  194.9769  236.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3402  196.0270  235.8528 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4554  197.0193  236.8094 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5642  193.7246  235.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9147  192.6468  236.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6225  192.5715  236.7137 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4443  191.5732  237.6297 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3622  191.1160  238.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8126  190.2183  239.2200 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1908  190.0820  239.0655 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5132  190.9018  238.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9508  191.4705  237.3790 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.9865  191.5894  238.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6837  192.5736  237.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3792  193.0599  237.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3497  192.5802  237.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6502  191.5918  238.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9534  191.1019  239.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9437  193.1180  237.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8106  194.1266  236.9259 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.0478  192.1613  237.4588 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.4879  193.6149  239.0141 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
3.91774020,83.23759107,1.74494217,-2.89480180,213.54120099,193.26403944,237.88473427
0.25830021,0.03184436,-0.01933281

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447948/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.13178

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-2.26822

>  <SCORE.INTRA.DIHEDRAL>
-3.81991

>  <SCORE.INTRA.DIHEDRAL.0>
7.09045

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.358268

>  <SCORE.INTRA.VDW.0>
-2.29135

>  <SCORE.INTRA.norm>
-0.0810079

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.254706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001095

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  209.8391  194.6229  254.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7355  194.4566  252.9557 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7447  194.0176  252.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3679  193.9629  250.8695 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0631  194.3957  250.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6468  194.7065  252.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4410  195.1849  252.5911 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6421  195.3337  251.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9270  195.0176  250.2475 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1544  194.5592  249.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5451  194.2925  248.5586 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0465  195.5401  249.2968 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5326  193.9853  248.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4856  195.3423  248.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
170.93611675,208.47900514,194.68854429,251.25307283,0.83163311,-0.35031864
1.44947982

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447949/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.97257

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-1.42743

>  <SCORE.INTRA.DIHEDRAL>
-2.48176

>  <SCORE.INTRA.DIHEDRAL.0>
2.56455

>  <SCORE.INTRA.POLAR>
-0.203445

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.505164

>  <SCORE.INTRA.VDW.0>
0.104883

>  <SCORE.INTRA.norm>
-0.118953

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.331047

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.098964

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  215.9687  178.9869  244.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3939  179.4214  244.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8588  180.7213  245.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8612  180.4791  246.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6545  179.7206  247.2811 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9283  181.1449  247.4655 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1682  182.1836  247.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5420  182.8837  247.8281 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1697  182.4426  245.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9632  181.8572  244.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9225  182.2495  243.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3133  181.0549  244.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7751  182.4570  245.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8570  182.6330  246.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0403  181.8798  247.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9644  184.1231  247.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9676  181.0011  248.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.6080  183.2248  245.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
62.73628462,169.41098888,64.28287142,72.40568563,217.89255407,181.52718397
246.03434758,-2.53890178,0.03087242,0.71091059

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447950/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.77241

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-0.62759

>  <SCORE.INTRA.DIHEDRAL>
1.1018

>  <SCORE.INTRA.DIHEDRAL.0>
0.0679708

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.17849

>  <SCORE.INTRA.VDW.0>
0.275801

>  <SCORE.INTRA.norm>
-0.0392244

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.548276

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001110

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  196.4676  215.4926  247.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9233  216.5096  248.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1469  216.2295  249.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9405  214.9598  250.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4752  213.9489  249.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2231  214.2038  247.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6863  213.1051  247.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5030  213.4134  245.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5120  211.9692  247.5537 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.4226  217.2353  250.4232 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  1   9  -1
M  END
>  <CHROM.1>
1.28636407,196.43486890,214.73324205,248.35380785,3.12672437,1.24427800,2.27505817

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447951/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39133

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.00867109

>  <SCORE.INTRA.DIHEDRAL>
-0.019639

>  <SCORE.INTRA.DIHEDRAL.0>
0.024214

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00114841

>  <SCORE.INTRA.VDW.0>
0.178511

>  <SCORE.INTRA.norm>
-0.000867109

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.639133

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019982

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  214.5042  199.2678  235.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3738  197.9856  234.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1275  196.8713  235.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2362  195.9255  236.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8787  194.9017  236.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0867  194.7578  236.8103 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8784  194.0029  237.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2832  192.9337  238.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3840  191.9323  238.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9235  190.8259  239.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0925  189.8189  239.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7120  189.9068  239.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1637  190.9988  238.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9937  192.0004  238.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
120.08317117,-179.92747807,2.28759468,-178.16360195,177.74192445,213.81158199
193.82461173,237.45358010,1.28609598,0.02911433,-0.50060645

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447952/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.80887

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-6.59113

>  <SCORE.INTRA.DIHEDRAL>
-14.0921

>  <SCORE.INTRA.DIHEDRAL.0>
14.1506

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.454924

>  <SCORE.INTRA.VDW.0>
0.325789

>  <SCORE.INTRA.norm>
-0.470795

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.272062

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.258816

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  209.0535  186.4901  250.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4351  186.3132  251.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2053  187.4084  252.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6328  188.6931  251.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1758  188.8585  250.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4065  187.7680  249.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4180  190.2391  250.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2471  190.5047  248.8983 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7456  191.1578  251.0742 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0681  191.0942  252.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9279  192.0623  253.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4720  189.7849  252.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7998  189.6383  253.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3248  188.3820  254.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5465  187.2698  253.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1890  192.4939  250.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1264  193.4380  250.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7196  194.4583  250.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6497  193.0781  248.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9900  192.2158  248.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 15  1  0  0  0  0
  3  4  2  0  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
72.13024477,111.20812917,5.59672994,208.80907590,190.09876298,251.29322035
-2.10973160,1.27961170,0.18715115

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447953/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.28192

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-2.11808

>  <SCORE.INTRA.DIHEDRAL>
-1.38102

>  <SCORE.INTRA.DIHEDRAL.0>
3.26849

>  <SCORE.INTRA.POLAR>
-0.438112

>  <SCORE.INTRA.POLAR.0>
-0.287474

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0620079

>  <SCORE.INTRA.VDW.0>
-0.418929

>  <SCORE.INTRA.norm>
-0.111478

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.277996

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.658122

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  188.1200  208.7726  256.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3412  209.9287  257.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9764  210.6555  257.9823 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3280  211.6571  258.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0523  212.0031  258.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2322  211.3750  257.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.8854  210.1035  256.7173 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.7819  209.9993  255.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7575  209.8977  254.0898 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8230  212.3718  256.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5563  212.6967  255.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5803  213.7957  254.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8626  214.2218  254.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0275  213.3170  255.4852 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.2111  215.2976  253.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5341  216.2039  253.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9286  217.2699  252.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2620  217.6813  252.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6451  218.7076  251.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6965  219.3206  250.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3665  218.9130  250.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9773  217.8872  251.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3887  213.0176  259.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2098  213.3191  259.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1572  213.5687  260.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6278  213.6937  260.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1886  212.3488  259.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  6  0  0  0
  7  8  1  6  0  0  0
  8  9  3  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  3  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-123.46235729,174.75755228,-61.05528178,186.03693819,213.57591363,255.71654436
0.93776377,1.47130073,2.98716940

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447954/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.08993

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-1.31007

>  <SCORE.INTRA.DIHEDRAL>
-1.92423

>  <SCORE.INTRA.DIHEDRAL.0>
2.01459

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.347951

>  <SCORE.INTRA.VDW.0>
-2.79906

>  <SCORE.INTRA.norm>
-0.048521

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.26259

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000706

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  7  0  0  0  0  0  0  0  0999 V2000
  187.0028  214.8346  251.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8633  214.4736  250.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0393  215.8225  249.5832 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.5165  216.8059  250.5022 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3226  216.1837  251.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3275  215.9541  248.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5967  217.5433  247.4920 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-179.12457110,186.64891037,216.24443796,249.51777923,-1.31371782,1.40256519
-1.33159689

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447956/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.14934

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-0.250662

>  <SCORE.INTRA.DIHEDRAL>
0.00076685

>  <SCORE.INTRA.DIHEDRAL.0>
0.00435466

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.251046

>  <SCORE.INTRA.VDW.0>
-0.181673

>  <SCORE.INTRA.norm>
-0.0358089

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.878477

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066957

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  183.6654  227.0641  248.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8262  226.8759  249.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8148  226.0097  249.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8892  225.8121  250.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7072  224.9063  250.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8229  226.6087  251.3018 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.7488  227.4593  251.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4213  228.2874  253.0070 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.8241  227.5948  250.5704 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7231  226.2093  252.3355 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4044  225.1643  253.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4326  225.1418  253.9321 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3547  224.0035  253.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4861  223.9891  252.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3288  222.8735  252.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0444  221.7609  253.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9172  221.7601  253.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0747  222.8750  253.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0581  228.2327  250.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.1904  227.0063  252.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-80.98598824,-60.76469507,0.46223483,186.97862225,225.49906846,251.83448898
-2.92529228,-0.88065854,1.31998065

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447957/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.91948

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-1.48052

>  <SCORE.INTRA.DIHEDRAL>
-1.1861

>  <SCORE.INTRA.DIHEDRAL.0>
2.23981

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.887473

>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.0822512

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.384415

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000576

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  202.6313  195.8781  252.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8780  195.0988  252.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8535  196.1131  251.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5848  194.5406  253.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4884  194.0199  251.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8869  192.6791  251.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5766  191.7975  250.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8792  192.2092  249.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5947  193.5928  249.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7907  194.4022  250.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1219  194.3710  247.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2809  194.3577  246.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8375  193.7162  247.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6947  195.8298  248.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4536  191.3743  248.1842 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5528  189.7445  247.7837 Si  0  0  0  0  0  0  0  0  0  0  0  0
  204.2624  189.0248  247.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7383  188.6029  249.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5177  189.3027  246.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2183  190.4858  250.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8756  190.1684  251.5312 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4267  188.8916  251.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0869  188.9780  251.1241 Si  0  0  0  0  0  0  0  0  0  0  0  0
  207.7651  187.2322  251.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4461  189.8114  249.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0052  189.9034  252.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-130.95152919,6.77539081,-2.93711650,-67.20228379,-63.84068872,104.95724466
175.97357935,203.96372374,191.74767604,249.89256288,-2.43614654,0.79830649
-2.61219806

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447958/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
6.78249

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-5.61751

>  <SCORE.INTRA.DIHEDRAL>
-11.6397

>  <SCORE.INTRA.DIHEDRAL.0>
13.4019

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.20236

>  <SCORE.INTRA.VDW.0>
1.28561

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.260865

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000438

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  219.5309  185.9819  237.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0470  187.0982  237.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6816  187.2548  238.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8188  186.2460  237.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3015  185.1312  236.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6749  184.9618  236.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1625  183.7078  235.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9360  183.6459  235.6612 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.7272  182.2477  236.8877 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.3785  183.5959  234.3164 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.1150  188.4355  238.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3436  189.6279  239.4257 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.9182  189.3230  237.8837 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.2921  187.8286  240.3695 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
0.13891302,-0.85246927,218.12090897,186.06333961,237.40938492,-1.21687024
0.10574812,0.52014422

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447959/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.3995

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.000497839

>  <SCORE.INTRA.DIHEDRAL>
0.000967673

>  <SCORE.INTRA.DIHEDRAL.0>
1.43952

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000981676

>  <SCORE.INTRA.VDW.0>
-1.56004

>  <SCORE.INTRA.norm>
-3.55599e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.528536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017338

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  193.7342  221.5060  259.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3142  220.2883  259.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1762  219.1579  259.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9931  220.5991  257.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9572  222.2331  259.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5655  223.3799  260.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8574  223.9250  259.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8498  224.1752  260.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7910  224.2068  258.2092 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0850  221.2109  259.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5704  220.8916  257.9756 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5106  220.5972  260.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5923  222.7841  257.9901 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6948  219.7689  257.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9663  223.9277  257.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2061  219.9681  259.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1733  222.0867  257.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
124.97296237,-172.61243990,-177.69353612,172.62013265,116.05905320,-50.25051649
-134.80336285,-6.81509787,178.87508513,195.31505806,221.89920066,259.08737533
2.46207421,0.45728495,2.77506551

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447960/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.60339

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-8.79661

>  <SCORE.INTRA.DIHEDRAL>
-6.22249

>  <SCORE.INTRA.DIHEDRAL.0>
9.67811

>  <SCORE.INTRA.POLAR>
-1.51594

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.531156

>  <SCORE.INTRA.VDW.0>
-0.29439

>  <SCORE.INTRA.norm>
-0.676663

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.123337

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007436

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  197.0624  212.2004  263.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3949  211.9691  261.9072 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1042  212.2197  260.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3707  212.8000  259.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9616  213.1383  258.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3275  212.8460  258.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0573  212.2423  259.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4488  211.9393  260.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8948  213.1028  257.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4903  214.3921  256.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1724  213.8919  257.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3952  213.5802  256.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7272  214.2571  255.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6919  213.7989  253.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9422  214.4444  252.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9255  213.9515  251.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1170  214.5383  250.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2774  215.5945  251.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3017  216.1224  252.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1646  215.5860  253.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2859  216.1316  254.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0747  215.4674  255.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2589  215.9349  256.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3721  214.9618  257.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3833  216.9520  257.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8049  217.5992  256.0738 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8115  217.1864  258.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5000  217.8665  258.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 24  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-141.49293256,-144.75051176,92.27106432,21.12327134,-177.05915971,196.24577653
214.34104893,256.67312696,0.31870138,-1.18703449,0.66836131

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447961/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.15351

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-2.24649

>  <SCORE.INTRA.DIHEDRAL>
1.91963

>  <SCORE.INTRA.DIHEDRAL.0>
9.21453

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.20631

>  <SCORE.INTRA.VDW.0>
2.89721

>  <SCORE.INTRA.norm>
-0.0832035

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.264945

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001429

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  195.6738  217.1543  260.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3423  217.9643  258.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1298  219.4600  259.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3073  220.2342  259.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6140  220.0557  258.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3817  218.9551  259.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2038  217.6840  259.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9961  217.4635  260.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0120  221.0580  258.0706 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3666  222.2661  257.8574 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2501  222.3306  257.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7685  221.3842  256.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6798  223.7137  256.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2631  224.8174  257.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7421  226.1081  257.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6328  226.3254  256.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0337  225.2076  255.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5459  223.9154  256.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0748  227.7230  256.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6927  228.4339  255.1905 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2086  228.4137  253.9226 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1090  229.2125  253.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0306  229.7325  254.1852 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7464  229.2460  255.3837 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1786  229.4840  251.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1919  230.2893  251.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2740  230.4887  249.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3391  229.8990  249.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3257  229.1039  249.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2434  228.8995  250.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9209  220.9675  257.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6657  223.0485  258.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
3.97121144,-79.80087585,1.10297838,89.04841110,92.02756891,-177.30838011
195.79825489,224.46470847,255.98848549,-1.04613110,1.31943700,-1.12016469

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447970/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.22991

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-2.17009

>  <SCORE.INTRA.DIHEDRAL>
-3.44102

>  <SCORE.INTRA.DIHEDRAL.0>
7.48671

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.449577

>  <SCORE.INTRA.VDW.0>
-1.63223

>  <SCORE.INTRA.norm>
-0.0723362

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.307664

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001747

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  213.2927  186.2357  252.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2042  187.2691  252.9827 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2450  186.7424  254.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1475  187.7280  254.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3096  188.1900  253.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4780  189.4145  253.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3387  190.5298  254.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2520  191.4038  255.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4009  192.2311  255.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1142  191.7924  254.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4759  190.7583  253.4447 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8013  188.6220  253.3461 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.9988  189.2516  253.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6359  188.6162  254.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5749  189.2729  252.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
177.93692953,-174.99186566,55.91556259,-165.86551157,58.11399661,-136.18260285
211.15133565,189.15464970,253.78506322,0.88082588,-0.17046357,-2.95959520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447971/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.11201

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.814286

>  <SCORE.INTRA>
-5.28799

>  <SCORE.INTRA.DIHEDRAL>
1.15379

>  <SCORE.INTRA.DIHEDRAL.0>
0.378364

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.764886

>  <SCORE.INTRA.VDW.0>
3.26606

>  <SCORE.INTRA.norm>
-0.377714

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.436572

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000559

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  196.2304  211.0055  258.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9429  210.0950  257.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1282  210.0722  256.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5518  208.6952  257.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4277  207.8661  258.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0314  206.5791  258.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7685  206.1011  258.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8883  206.9201  257.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2776  208.2034  257.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0051  205.7841  259.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6361  204.6779  260.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4883  204.3021  260.2906 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7407  204.0489  260.5900 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6355  202.8503  261.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6467  204.4193  260.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-62.32899886,160.79908187,-1.62262498,196.11111249,206.89325384,258.69202713
-1.73443320,0.34544452,2.67710852

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447972/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.2913

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.108704

>  <SCORE.INTRA.DIHEDRAL>
-0.822391

>  <SCORE.INTRA.DIHEDRAL.0>
2.20168

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.302492

>  <SCORE.INTRA.VDW.0>
0.0734602

>  <SCORE.INTRA.norm>
-0.00776454

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.592235

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000721

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  194.5922  222.0043  251.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5451  221.6067  250.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1704  220.2621  250.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8226  219.2790  251.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8573  219.7038  251.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2360  221.0620  251.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6286  218.8031  252.7021 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2632  219.1103  253.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2484  220.2272  254.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8934  217.9552  254.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0145  216.6415  254.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7824  215.8228  255.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2175  216.5632  256.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6619  218.1515  256.0885 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.9750  216.1465  257.1528 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3294  214.8520  257.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9544  213.9922  256.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1764  214.4680  255.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3841  212.6260  256.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7624  211.5413  256.0327 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0111  214.4145  258.2487 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4760  216.1561  252.9917 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1872  217.6115  250.7511 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2419  217.1494  252.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9244  217.4529  253.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6146  216.4503  254.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1011  216.6932  255.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9497  217.9434  256.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3043  218.9620  255.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7918  218.7160  254.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9133  215.2909  256.5039 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.5441  217.8222  252.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9924  214.2845  258.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6074  213.6110  258.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0077  216.1927  252.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.7871  215.4096  252.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  3  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-108.38463122,-153.46920659,3.70297282,89.35941966,-106.94147129,-45.41835987
-98.48515296,195.75672021,217.10881762,254.47000012,-2.16699787,0.27267653
2.55814810

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447973/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0221042

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-12.4221

>  <SCORE.INTRA.DIHEDRAL>
-6.68457

>  <SCORE.INTRA.DIHEDRAL.0>
12.6652

>  <SCORE.INTRA.POLAR>
-0.723129

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.62118

>  <SCORE.INTRA.VDW.0>
-3.10729

>  <SCORE.INTRA.norm>
-0.400713

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
-0.000713039

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000279

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 26  0  0  0  0  0  0  0  0999 V2000
  205.1025  225.7050  255.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1618  224.5122  254.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8435  223.7528  254.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8044  222.5827  253.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5299  221.7470  253.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5226  220.5751  252.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2377  219.7626  252.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2441  218.5212  251.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6211  218.8081  250.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6437  217.6560  249.6067 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.6981  219.5980  249.7316 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.1591  217.6379  252.2847 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.0493  217.8829  251.8465 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.8793  219.3738  253.9177 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.2320  220.5937  252.2474 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.8589  221.0207  251.5126 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.5486  219.7324  253.0883 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.2482  221.2715  254.9827 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.4761  222.5666  253.4484 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.0603  223.0558  252.5371 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.8555  221.7474  254.0665 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.5234  223.3270  256.0238 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.8426  224.6289  254.4398 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.4996  224.9324  253.5588 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.1719  223.7062  255.2253 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.8699  225.3017  257.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6095  224.7268  257.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
62.26690907,60.76332950,177.60998277,178.28566366,-179.49826471,-177.81139633
-174.97296322,-57.96069377,178.36687992,202.85281737,221.49855698,253.28575009
-0.93571958,-0.69147446,-2.10258157

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447974/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.96938

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-3.43062

>  <SCORE.INTRA.DIHEDRAL>
-0.24513

>  <SCORE.INTRA.DIHEDRAL.0>
0.658498

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.30805

>  <SCORE.INTRA.VDW.0>
-2.436

>  <SCORE.INTRA.norm>
-0.131947

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.383438

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.053930

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  182.5585  221.1342  261.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1105  220.0363  260.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2942  219.4557  260.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9476  219.9553  261.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3848  221.0823  262.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1995  221.6605  262.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1113  221.8230  263.9996 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.2167  219.3269  262.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6372  220.0753  261.7382 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  184.9044  218.1033  259.9530 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
89.36770603,185.07569314,220.17086091,261.78161388,1.53283407,-0.25018471
0.81786372

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447975/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39976

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.00024022

>  <SCORE.INTRA.DIHEDRAL>
0.000109685

>  <SCORE.INTRA.DIHEDRAL.0>
0.746963

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000295063

>  <SCORE.INTRA.VDW.0>
-1.04155

>  <SCORE.INTRA.norm>
-2.4022e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.639976

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000390

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  219.3033  185.4628  245.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7762  186.7315  244.3677 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.9414  187.9029  245.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6886  188.9135  244.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0721  190.1774  245.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7165  191.0256  244.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9532  190.5971  242.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5822  189.3038  242.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9681  188.4445  243.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5039  187.0992  243.1154 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.6733  186.3050  241.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4277  186.6308  241.0414 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7847  185.0436  241.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6702  184.9778  240.2841 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.5858  186.4104  240.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9219  186.8527  239.5769 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6834  187.9010  239.0899 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4690  188.2962  240.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0647  187.6010  241.2315 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5410  188.4228  242.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7250  187.9864  243.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9100  188.9473  244.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9555  190.3042  243.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8943  190.7727  242.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7292  189.8304  242.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8300  190.2680  241.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2416  189.4836  240.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4007  189.8732  239.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9263  192.2358  242.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6984  186.5967  243.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
119.62371053,-63.16417194,162.37800910,218.02006260,188.16232143,242.27368097
-1.83289884,-0.60226874,0.48817526

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447976/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.92488

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.28

>  <SCORE.INTRA>
-5.47512

>  <SCORE.INTRA.DIHEDRAL>
-0.399656

>  <SCORE.INTRA.DIHEDRAL.0>
2.68497

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.27529

>  <SCORE.INTRA.VDW.0>
-0.986648

>  <SCORE.INTRA.norm>
-0.182504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0974959

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  204.3852  185.8245  240.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1120  187.1332  240.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7285  187.4857  242.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4058  188.7033  242.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4693  189.5786  241.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8644  189.2339  239.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1885  188.0152  239.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1167  190.7863  241.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7868  191.1150  242.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8123  190.3631  243.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0967  189.0612  243.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1321  188.2968  244.4346 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6177  190.6591  244.6007 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9567  190.6660  244.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5078  190.3685  243.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6676  190.9969  245.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9491  191.3094  246.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6240  191.5841  247.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0169  191.5580  247.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7417  191.2805  246.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0682  191.0082  245.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8435  191.8693  249.4646 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.5023  192.3927  242.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2553  192.6898  241.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9685  193.8882  241.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9269  194.7914  242.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1754  194.5102  243.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4626  193.3099  243.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8164  196.2610  242.0246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-44.30778203,-60.93107455,-4.86769979,-3.59442046,209.00603722,191.15218258
243.66893651,3.06249218,-0.86438938,-0.74156762

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447977/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.57712

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-3.82288

>  <SCORE.INTRA.DIHEDRAL>
-8.87105

>  <SCORE.INTRA.DIHEDRAL.0>
15.2275

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.612641

>  <SCORE.INTRA.VDW.0>
-2.10631

>  <SCORE.INTRA.norm>
-0.131824

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.192314

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  194.7997  209.9550  260.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6036  209.2223  259.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9300  207.8862  258.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6826  207.6525  257.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2608  208.8555  256.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1496  209.8090  257.8435 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6650  211.1294  257.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8712  211.6487  256.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8772  211.9373  258.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1375  211.3343  259.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3223  212.1186  260.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2349  213.4961  260.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9675  214.1029  259.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7852  213.3243  258.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1912  214.4466  261.2311 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.9656  208.9412  255.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0891  207.8034  254.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4951  206.5923  255.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7981  206.5208  256.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6410  205.4101  254.5075 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8036  205.2024  253.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4605  206.9426  259.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6452  207.2292  260.9467 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7352  205.7161  259.2415 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2525  204.7593  260.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
1.70636172,-22.55069416,-29.36010353,-179.96089845,193.67723718,209.50224885
258.26354379,-2.49475966,1.04413378,-1.83367430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447986/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.8878

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-0.512199

>  <SCORE.INTRA.DIHEDRAL>
-1.07771

>  <SCORE.INTRA.DIHEDRAL.0>
3.9157

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.026656

>  <SCORE.INTRA.VDW.0>
3.0734

>  <SCORE.INTRA.norm>
-0.020488

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.355512

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001321

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  201.6578  215.4154  240.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0325  216.7719  240.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5721  216.8316  240.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9693  218.2072  240.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5019  218.3696  240.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2353  218.2245  242.4804 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8824  219.2656  243.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8866  219.9169  243.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1788  219.3738  244.7147 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7265  219.2394  244.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8250  219.5667  245.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4409  218.4564  242.8461 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6313  218.2715  245.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4363  217.1002  245.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2084  218.6890  246.8269 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6856  217.8245  247.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1195  218.3813  249.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5782  217.5860  250.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6161  216.1913  249.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2005  215.6506  248.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7487  216.4476  247.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0808  215.1453  250.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9220  218.3813  251.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6893  217.9758  252.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1531  219.6778  247.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  1  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.97317529,-179.90386260,62.06525017,63.71552725,-61.22439044,-173.48042608
143.88062216,198.34850331,217.84337322,245.48199447,-1.73783824,-0.55957518
1.57081720

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447988/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.5688

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-0.831239

>  <SCORE.INTRA.DIHEDRAL>
1.22743

>  <SCORE.INTRA.DIHEDRAL.0>
1.71879

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.44496

>  <SCORE.INTRA.VDW.0>
0.440094

>  <SCORE.INTRA.norm>
-0.0346349

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.482032

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000965

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  192.7231  223.3341  258.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0030  222.7598  259.1838 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9079  223.3902  260.3768 P   0  0  1  0  0  0  0  0  0  0  0  0
  194.1178  222.5357  261.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4097  223.2884  262.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8503  222.6821  263.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9725  221.3077  264.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6390  220.5390  263.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2025  221.1475  261.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4115  222.3630  260.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2452  222.0877  261.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1091  222.4973  262.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5303  223.7245  262.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4282  224.1063  264.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8998  223.2636  265.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4873  222.0436  264.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5987  221.6662  263.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7534  221.7765  258.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2440  222.3203  257.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6046  221.7816  256.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4921  220.7084  256.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0194  220.1693  257.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6522  220.7038  258.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
80.03472849,-113.99874330,-152.39532662,21.55547774,-33.51301200,195.62378976
222.26187374,261.11251317,1.35402698,0.18673654,-1.69347438

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447989/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.43742

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-8.96258

>  <SCORE.INTRA.DIHEDRAL>
-21.8545

>  <SCORE.INTRA.DIHEDRAL.0>
34.5937

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.96468

>  <SCORE.INTRA.VDW.0>
-4.56708

>  <SCORE.INTRA.norm>
-0.389677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0624966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008174

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  195.6043  218.0236  260.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5460  219.4772  260.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1383  219.7580  261.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8620  221.1784  261.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0240  222.2232  260.4728 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.9135  222.0375  259.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.9481  222.1142  259.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4072  222.7774  258.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5346  222.0094  257.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9909  222.7671  256.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1299  223.6496  260.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5405  224.2022  261.2655 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6121  224.1370  260.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8146  222.8144  259.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6797  222.7826  258.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2605  223.8093  258.1965 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8036  221.5325  258.0278 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7368  221.1561  257.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6538  222.0949  256.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5416  221.7544  255.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5141  220.4845  254.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6235  219.5326  255.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7474  219.8719  256.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3860  225.5722  261.6759 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1436  220.8330  258.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8690  225.5963  262.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-178.67420240,61.26392915,-46.47137086,-158.62595927,91.14901625,69.08824488
-176.92219078,54.03728418,-53.81069684,62.88544795,174.61679516,3.41090758
2.43748339,196.40307923,221.94977146,258.74592766,2.76658443,0.68108493,0.21814004

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447990/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.6335

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.756522

>  <SCORE.INTRA>
-3.76648

>  <SCORE.INTRA.DIHEDRAL>
-1.25547

>  <SCORE.INTRA.DIHEDRAL.0>
5.83347

>  <SCORE.INTRA.POLAR>
-0.0379993

>  <SCORE.INTRA.POLAR.0>
-1.2471

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.00954

>  <SCORE.INTRA.VDW.0>
1.32661

>  <SCORE.INTRA.norm>
-0.16376

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.592762

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004709

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  214.8567  196.4163  245.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9216  196.3541  246.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6748  197.4882  247.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3675  198.6563  246.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2891  198.7300  245.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5381  197.6122  244.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9584  200.1224  245.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7920  200.6282  243.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5528  202.0398  243.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2454  203.0547  244.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9892  204.3977  243.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0536  204.7377  243.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3417  203.7092  242.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5986  202.3726  242.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8798  206.0690  242.7057 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7192  206.6667  243.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7469  206.6323  244.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2567  207.6978  245.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3343  207.5980  246.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9111  206.4339  247.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4121  205.3638  246.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3340  205.4608  245.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9946  206.3379  248.9102 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.9523  205.7299  244.9515 Br  0  0  0  0  0  0  0  0  0  0  0  0
  213.8659  200.8607  246.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6280  202.0376  246.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1134  199.8994  247.4465 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1168  200.1110  248.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
41.67683141,-101.34730681,61.19200437,92.91106912,213.54606179,203.25505490
245.30887510,-0.59921294,1.33902840,-1.04478235

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447991/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.25504

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-5.14496

>  <SCORE.INTRA.DIHEDRAL>
-4.32479

>  <SCORE.INTRA.DIHEDRAL.0>
15.4659

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.98257

>  <SCORE.INTRA.VDW.0>
0.297139

>  <SCORE.INTRA.norm>
-0.190554

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.157594

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000125

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  214.3687  190.8527  243.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1156  192.2938  243.6308 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2559  192.7262  245.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0125  193.0263  242.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4674  194.4046  242.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1611  194.3255  241.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9196  194.5527  242.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7534  194.8482  243.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1832  196.0665  244.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0074  196.3326  245.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3853  195.3932  246.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9505  194.1803  245.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1422  193.8932  244.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6690  192.5932  243.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1081  192.7942  242.8015 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.5477  193.7779  241.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7546  194.4675  241.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8501  195.1987  239.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8062  195.2204  238.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6284  194.5447  239.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5002  193.8347  240.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9404  195.9133  237.8253 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
155.76843881,-61.87046685,100.69690154,211.46407601,194.04880210,242.46917812
-0.90391709,0.22959800,-1.47088892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447992/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3844

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-3.0156

>  <SCORE.INTRA.DIHEDRAL>
-0.0581948

>  <SCORE.INTRA.DIHEDRAL.0>
1.53988

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.9865

>  <SCORE.INTRA.VDW.0>
0.918891

>  <SCORE.INTRA.norm>
-0.137073

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.244746

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006709

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 46  0  0  0  0  0  0  0  0999 V2000
  188.0420  222.8602  258.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0342  223.6197  259.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8740  222.9955  260.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6924  221.6101  260.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7631  220.8408  259.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9040  221.4734  258.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7070  219.3600  259.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4562  218.6706  258.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9136  218.7008  261.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7218  219.3349  262.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8661  218.7814  263.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2095  217.5936  263.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4908  216.9048  262.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3400  217.4593  261.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3658  217.1466  265.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4094  217.4471  266.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3873  216.6258  267.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4690  216.8681  268.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5625  217.9263  268.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5557  218.7417  266.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5368  218.5406  265.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7351  219.8747  266.9078 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9082  223.8360  262.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1061  225.0429  262.0455 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7137  223.2415  263.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2077  223.9268  264.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9692  223.4315  265.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2379  222.2544  266.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8299  221.5203  264.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0634  222.0134  263.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0217  221.8636  267.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7943  220.8639  267.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5412  220.5644  269.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2557  219.5490  269.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2334  218.8417  269.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5163  219.1488  267.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7341  220.1100  267.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4011  218.3522  267.1210 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2119  219.9653  266.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.2041  220.7367  267.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.9768  217.8933  266.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9488  217.7094  267.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 41  1  0  0  0  0
 38 42  1  0  0  0  0
M  END
>  <CHROM.1>
-1.68918274,163.27435899,-28.53368163,96.06131856,159.35196281,-133.39690684
157.55967319,-101.07517462,177.73956898,117.34505495,187.69826818,220.20157793
264.38682739,-0.16747908,1.53615139,0.53357385

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/447/14447993/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.09804

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-12.302

>  <SCORE.INTRA.DIHEDRAL>
-3.81813

>  <SCORE.INTRA.DIHEDRAL.0>
20.4402

>  <SCORE.INTRA.POLAR>
-1.70968

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.57999

>  <SCORE.INTRA.VDW.0>
-1.36043

>  <SCORE.INTRA.norm>
-0.323736

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.0815274

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006204

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  200.5538  219.1837  249.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9659  217.9544  249.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5723  217.6389  249.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6540  218.8284  249.5251 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.4916  218.9935  250.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2335  220.1059  248.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6342  220.3767  249.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2889  218.5746  248.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3453  217.7450  249.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5147  218.5526  250.6439 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1846  219.0288  251.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4112  219.0097  251.8119 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4146  219.7172  252.6317 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4833  219.5474  254.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4841  220.1642  254.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5866  219.9346  256.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6441  219.1228  256.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6214  218.5255  256.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5292  218.7513  254.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5719  220.4488  256.9490 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8214  219.7546  256.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3780  219.7595  255.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7333  220.9427  254.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2068  220.9049  253.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3177  219.6893  252.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9523  218.5075  253.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4788  218.5399  254.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5259  219.9876  252.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
76.91666450,91.17565031,-77.02461227,14.16838701,135.32193239,80.42832133
-78.75991858,59.21611061,62.65515284,196.98341380,219.27213584,252.73780204
-1.15827027,0.16521958,1.38868605

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448002/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.05253

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-13.3475

>  <SCORE.INTRA.DIHEDRAL>
-8.45636

>  <SCORE.INTRA.DIHEDRAL.0>
20.8807

>  <SCORE.INTRA.POLAR>
-1.41096

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.32201

>  <SCORE.INTRA.VDW.0>
1.30261

>  <SCORE.INTRA.norm>
-0.513364

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0404821

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002061

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  187.6283  214.2497  265.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5111  213.1968  265.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3649  211.8750  265.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1057  210.8539  265.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0765  211.1384  264.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2285  212.4700  263.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4463  213.4873  264.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7970  210.0962  263.6050 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1944  209.3226  262.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8819  210.1107  261.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6826  210.1473  260.3404 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6919  210.7919  261.1624 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6229  210.6962  262.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1045  211.8931  262.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0042  211.8871  263.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4501  210.6731  263.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9932  209.4756  263.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0835  209.4545  262.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4942  208.0911  261.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6799  206.9653  262.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5706  207.6287  260.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6163  209.0987  265.6279 Br  0  0  0  0  0  0  0  0  0  0  0  0
  188.6716  211.5036  260.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
81.03391100,62.77803685,93.43182164,127.80056287,135.89779694,188.40480909
210.30731183,263.66507474,-1.29049396,-1.14772600,-2.13327477

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448003/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.92167

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-1.47833

>  <SCORE.INTRA.DIHEDRAL>
1.51465

>  <SCORE.INTRA.DIHEDRAL.0>
12.2195

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.23566

>  <SCORE.INTRA.VDW.0>
-3.96094

>  <SCORE.INTRA.norm>
-0.0671969

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.40553

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  205.7451  200.9612  246.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8716  202.2131  246.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7218  203.4539  246.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7910  202.1749  245.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7097  203.1781  245.6065 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0030  203.4274  244.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6789  202.7628  246.7373 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3903  202.5401  248.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9559  203.6240  248.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5928  203.4205  249.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7027  202.1371  250.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1450  201.0571  249.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4637  201.2628  248.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6504  203.7825  246.8136 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2957  203.6383  247.8054 Si  0  0  0  0  0  0  0  0  0  0  0  0
  199.6534  203.4836  249.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0179  205.0135  247.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2594  201.9047  247.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1500  200.6759  247.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9486  201.7945  247.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9538  202.0435  245.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3520  201.2510  245.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
167.09141333,155.85171043,55.45699821,68.64395822,174.52051458,60.48211393
63.98330063,201.49578021,202.65722760,247.44679124,0.04484965,0.08504881
-1.48780186

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448004/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3427

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.590476

>  <SCORE.INTRA>
-2.05729

>  <SCORE.INTRA.DIHEDRAL>
0.650128

>  <SCORE.INTRA.DIHEDRAL.0>
1.52599

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.38236

>  <SCORE.INTRA.VDW.0>
-1.13938

>  <SCORE.INTRA.norm>
-0.0979663

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.49251

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014767

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  184.1849  211.9619  258.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8056  210.8081  257.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1527  209.6720  258.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2358  209.7998  259.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6256  208.2544  258.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3324  207.9678  257.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1605  207.3975  259.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2714  211.5721  259.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7323  210.5608  260.6526 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3036  209.4139  260.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3950  208.9869  260.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8005  208.4235  261.4423 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.4393  206.4817  258.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2575  209.4598  260.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.2710  208.9128  259.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.5397  207.8879  261.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.0973  207.8398  261.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <CHROM.1>
65.54513999,-65.43920028,48.43013894,-12.23629835,177.05678204,118.99141800
64.39123258,-140.53343651,184.25419289,209.50160538,259.32577243,0.79962609
-0.86322012,-0.14213552

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448005/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.71566

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03333

>  <SCORE.INTRA>
-6.68434

>  <SCORE.INTRA.DIHEDRAL>
-2.02865

>  <SCORE.INTRA.DIHEDRAL.0>
5.48541

>  <SCORE.INTRA.POLAR>
-0.869175

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.71481

>  <SCORE.INTRA.VDW.0>
0.455168

>  <SCORE.INTRA.norm>
-0.557028

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.476305

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.052919

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  216.9961  189.7273  246.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3610  188.8132  247.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3166  189.0529  248.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1422  187.8153  249.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9850  186.8753  248.7900 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7012  187.4876  247.8300 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6410  186.6760  247.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4669  190.2768  248.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1513  190.9243  247.4511 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.6679  192.2666  247.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5628  190.1499  246.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1513  189.0143  246.6905 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4372  190.6818  245.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0854  191.7830  244.5848 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7616  191.8246  243.2719 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3217  192.8102  242.3567 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.8930  192.5384  240.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8745  191.0376  240.5644 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.9401  190.4359  241.5231 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1027  190.7002  242.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7496  190.0233  243.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7901  188.6256  244.0764 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.2410  190.3517  240.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9339  190.1582  239.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1590  189.4833  239.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7036  188.9709  240.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0371  189.1320  241.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8138  189.8106  241.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3425  188.0325  240.4018 Br  0  0  0  0  0  0  0  0  0  0  0  0
  213.9937  194.2480  242.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6796  194.5430  242.7499 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.4909  194.5327  243.9587 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.5731  195.1389  241.8810 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.5739  189.5235  241.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  1  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
37.39033736,-116.13126860,13.73917534,-60.51750219,-96.46155792,215.29510608
190.17796101,243.68464084,-2.13981435,0.77679121,-1.15482794

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448006/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.82723

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-5.57277

>  <SCORE.INTRA.DIHEDRAL>
-8.20371

>  <SCORE.INTRA.DIHEDRAL.0>
11.6983

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.47092

>  <SCORE.INTRA.VDW.0>
-1.58989

>  <SCORE.INTRA.norm>
-0.168872

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.14628

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000151

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  190.4676  220.0712  255.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8031  220.2088  254.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2524  221.5501  254.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4539  221.8828  253.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2380  220.8740  253.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8120  219.5442  253.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5906  219.1588  253.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1979  217.6553  253.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9149  217.4207  253.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2722  216.7312  253.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0293  217.1133  255.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <CHROM.1>
63.21188564,192.41997067,219.21833053,253.92917917,1.29896675,0.48857828
0.11936085

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448007/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39224

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.00775703

>  <SCORE.INTRA.DIHEDRAL>
0.0019259

>  <SCORE.INTRA.DIHEDRAL.0>
0.719687

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00871998

>  <SCORE.INTRA.VDW.0>
1.87398

>  <SCORE.INTRA.norm>
-0.000705184

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581113

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020047

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  197.1610  220.5443  258.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2607  221.3452  257.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9583  222.5310  257.3493 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2906  223.3816  256.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8240  224.6677  256.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2173  225.6327  255.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0834  225.3133  254.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5716  224.0138  254.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1720  223.0513  255.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3649  226.3573  254.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2827  226.1425  253.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5509  224.8761  252.9845 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.0919  225.0949  251.6242 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9843  226.4359  251.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5695  226.9822  250.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6546  227.1852  252.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5860  228.3776  252.6550 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0436  224.1226  250.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7230  224.4126  249.3721 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6353  223.2027  248.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9919  222.2007  249.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2707  222.7335  250.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0090  220.8366  248.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3473  224.6320  253.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1225  223.3444  254.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0440  223.0872  255.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1811  224.1127  255.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3582  225.3854  255.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4312  225.6450  254.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1396  223.9799  256.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4495  223.2593  257.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5503  223.9600  258.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2901  225.1624  259.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3185  225.8461  259.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6158  225.3386  259.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8850  224.1461  259.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8605  223.4591  258.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9345  227.6090  254.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4119  228.2351  253.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 38  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <CHROM.1>
-179.79923043,164.25367799,178.98388355,179.14785686,-136.51809359,-173.94393672
45.76447319,60.22047953,72.66906781,192.49168332,224.42810977,254.60414670
-1.45972044,0.18573639,-1.48837925

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448008/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.83463

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-17.2346

>  <SCORE.INTRA.DIHEDRAL>
-34.6671

>  <SCORE.INTRA.DIHEDRAL.0>
40.698

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0989254

>  <SCORE.INTRA.VDW.0>
-1.25352

>  <SCORE.INTRA.norm>
-0.453543

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
-0.100911

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000178

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  184.6249  210.6505  250.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3983  209.1846  250.3233 N   0  3  0  0  0  0  0  0  0  0  0  0
  185.0252  208.8792  251.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.9856  208.9354  250.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7431  208.3075  249.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2652  208.0944  248.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9126  207.6641  250.2241 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5676  206.5242  250.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6442  204.9767  250.3050 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.0699  206.8443  252.1798 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2400  205.9576  253.0143 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.8733  206.6232  253.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9187  207.6041  254.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2628  206.8602  255.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4968  206.0094  255.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1514  205.5657  256.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2652  204.7319  256.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7399  204.3305  255.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0905  204.7537  254.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9591  205.5826  254.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8395  208.0262  250.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.2562  207.7515  252.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 22  1  0  0  0  0
 11 10  1  1  0  0  0
 11 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
77.74915207,49.93756446,57.76204298,59.99601227,-118.88164899,185.62464716
206.76665578,252.49448519,1.83248459,0.81126679,-1.25682894

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448009/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.85073

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-2.54927

>  <SCORE.INTRA.DIHEDRAL>
0.284622

>  <SCORE.INTRA.DIHEDRAL.0>
4.66667

>  <SCORE.INTRA.POLAR>
-0.144236

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.20117

>  <SCORE.INTRA.VDW.0>
-1.00293

>  <SCORE.INTRA.norm>
-0.134172

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.413197

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000791

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  202.6223  187.7235  241.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6891  188.3485  242.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3786  189.5669  243.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0399  190.1303  241.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9593  189.5109  240.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2440  188.3163  240.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1393  187.6819  239.1878 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.5327  186.6053  239.1127 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6629  188.2650  238.2286 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.8484  191.3686  242.0111 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.9883  191.9139  243.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3722  191.7851  240.9687 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.3319  190.1904  244.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4078  191.2662  244.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4122  191.6352  245.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  4   7   1   9  -1  10   1  12  -1
M  END
>  <CHROM.1>
-102.83342362,179.94569276,203.59968516,189.53075138,241.56137608,1.81148728
-0.88956569,-2.10222483

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448018/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.67459

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-2.72541

>  <SCORE.INTRA.DIHEDRAL>
-5.2557

>  <SCORE.INTRA.DIHEDRAL.0>
5.99443

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.097554

>  <SCORE.INTRA.VDW.0>
-0.495437

>  <SCORE.INTRA.norm>
-0.194672

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.262471

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000496

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  196.0743  214.2823  242.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0502  214.1016  243.2737 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7636  212.7535  243.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5351  212.4141  244.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2155  211.0900  244.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1265  210.0694  244.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3578  210.3733  243.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6718  211.6979  243.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3692  215.1391  243.8334 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1152  214.9819  245.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-157.70191208,-144.47508718,194.63827860,212.79159554,243.83045361,-1.42369645
-0.70306810,3.12883683

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448019/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.9939

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.406102

>  <SCORE.INTRA.DIHEDRAL>
1.71187

>  <SCORE.INTRA.DIHEDRAL.0>
2.27448

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.26204

>  <SCORE.INTRA.VDW.0>
3.26242

>  <SCORE.INTRA.norm>
-0.0406102

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.69939

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.032261

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  208.8843  189.5422  231.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2987  190.0766  232.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3199  189.3482  233.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9384  189.7318  234.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4693  190.8793  234.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3672  191.6639  234.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7961  191.2533  232.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1557  191.1724  236.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4557  190.3279  237.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8777  189.0937  236.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2437  188.2561  237.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0949  188.9153  235.0949 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1755  190.4029  238.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2247  190.3600  239.6966 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1144  189.1572  239.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8379  188.9700  238.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7330  189.9681  237.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3552  189.8705  236.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0770  188.7835  235.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1750  187.8044  236.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5486  187.9082  237.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6650  188.6805  234.4517 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.8083  190.5200  241.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8145  190.8092  242.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6934  190.5592  243.4788 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8456  190.9851  244.0807 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6925  191.4708  243.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0697  191.3807  241.9945 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6237  192.1806  240.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6927  192.9017  239.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0977  192.9767  238.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4426  193.8038  237.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3526  194.5565  238.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8762  194.4180  239.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5306  193.5852  240.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6885  188.0961  234.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-62.33837644,-53.18305878,56.19671953,-165.41268139,59.48239726,-156.55190964
20.28593495,-144.04433009,208.11020101,190.59523355,237.70700851,1.63962669
1.54627012,-1.88877354

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448020/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.579

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.382857

>  <SCORE.INTRA>
-7.821

>  <SCORE.INTRA.DIHEDRAL>
-1.55956

>  <SCORE.INTRA.DIHEDRAL.0>
6.68275

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.04123

>  <SCORE.INTRA.VDW.0>
-3.22494

>  <SCORE.INTRA.norm>
-0.223457

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.1594

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  205.5006  207.2154  244.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7972  208.1599  245.3701 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3364  207.8988  246.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7230  208.9998  247.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7850  209.9784  246.1726 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4605  209.4929  245.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7401  210.3839  243.6799 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.4759  206.5949  247.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8549  206.1727  247.6186 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8973  204.7990  248.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3437  204.2835  248.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2059  205.1462  248.9708 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1212  206.5790  248.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6269  207.0314  248.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2426  204.5653  249.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4536  205.2864  249.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6386  204.7067  250.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6532  203.3662  250.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4582  202.6465  250.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2453  203.2443  250.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0834  202.4990  250.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2075  202.7386  251.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4126  210.9134  246.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
61.71723796,-171.54014379,144.90792572,-83.18752345,206.90877217,206.23418613
247.86246881,-2.16688880,0.09854245,2.46951184

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448021/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.94835

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-2.45165

>  <SCORE.INTRA.DIHEDRAL>
1.87986

>  <SCORE.INTRA.DIHEDRAL.0>
5.25333

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.39158

>  <SCORE.INTRA.VDW.0>
2.90932

>  <SCORE.INTRA.norm>
-0.111439

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.315834

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000570

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  193.6117  197.8703  251.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4823  199.0513  251.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5684  200.1069  250.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3662  201.2284  251.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1351  201.2679  252.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0331  200.2296  253.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2085  199.1292  253.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4303  202.3121  250.3326 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4880  202.5100  249.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4019  201.9367  249.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8907  203.5643  248.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6090  204.7367  248.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9914  205.5448  249.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6123  205.6491  250.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9964  206.4036  251.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7794  207.0677  251.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2055  206.9958  250.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8164  206.2769  249.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0007  206.4576  247.6278 Br  0  0  0  0  0  0  0  0  0  0  0  0
  193.1131  207.8643  252.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6941  207.8822  253.8748 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0214  208.4476  252.4565 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.8077  204.9824  251.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8815  205.7384  251.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0334  203.0877  250.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  1  22  -1
M  END
>  <CHROM.1>
16.79715053,-36.72738389,-58.83049033,113.70934076,130.39273498,-1.18723938
194.39584705,204.34925339,250.40780786,0.81408783,1.25430033,-2.68165037

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448022/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.44643

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-5.95357

>  <SCORE.INTRA.DIHEDRAL>
-0.953166

>  <SCORE.INTRA.DIHEDRAL.0>
9.70779

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.07698

>  <SCORE.INTRA.VDW.0>
0.966046

>  <SCORE.INTRA.norm>
-0.248065

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.226935

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  218.5294  186.0873  241.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8992  185.9315  240.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5010  187.2160  240.6559 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7312  187.2022  240.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3410  186.1867  239.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2481  188.5879  239.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1973  188.8755  239.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7735  190.1349  238.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5529  191.0992  239.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6081  190.9235  240.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7280  189.6812  240.8490 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.2788  190.0586  240.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2756  189.8854  241.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9481  190.2275  241.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5831  190.7629  240.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5507  190.9465  239.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8852  190.5913  239.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9998  190.8522  237.9884 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.5802  189.3761  242.6972 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.3956  191.9020  241.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2027  192.7083  242.6639 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.3599  192.2037  239.7456 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7003  187.9707  237.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0485  187.9936  237.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4899  187.2245  236.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5895  186.4236  235.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2530  186.3638  236.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8079  187.1340  237.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8221  193.0237  239.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.9848  192.3928  240.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  3  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-179.88423021,-1.66706023,-157.26406355,-143.97838137,111.17792990,118.72697977
221.65131783,189.16265681,239.62362757,2.52969970,0.55717045,0.32341273

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448023/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30823

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-4.09177

>  <SCORE.INTRA.DIHEDRAL>
-8.46637

>  <SCORE.INTRA.DIHEDRAL.0>
16.9342

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.141414

>  <SCORE.INTRA.VDW.0>
-4.13597

>  <SCORE.INTRA.norm>
-0.146135

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.261008

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000432

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  204.2083  215.6753  261.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4314  214.1902  261.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8164  213.4798  260.8133 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9883  211.7590  260.8610 P   0  0  0  0  0  0  0  0  0  0  0  0
  202.9246  211.6599  261.9639 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4139  211.6535  259.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0362  212.0947  258.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2704  212.8632  257.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6990  213.3688  256.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8594  214.1644  256.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5590  214.4997  257.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1071  214.0506  258.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9936  213.2084  258.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8178  214.4778  259.9367 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1361  213.4603  260.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1372  213.2734  255.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3537  212.1518  254.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2903  210.6996  258.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3583  209.9083  258.4465 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1603  210.0383  260.9087 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3808  209.6058  260.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5200  208.0941  260.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  3  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
178.97290723,76.31191480,67.45494818,69.95469435,-172.26235639,-29.83937749
-133.68062785,-178.83805882,204.91802577,212.42225172,259.25732079,-0.55870342
0.87582519,1.47447173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448024/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.06072

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.609091

>  <SCORE.INTRA>
-8.33928

>  <SCORE.INTRA.DIHEDRAL>
-8.43245

>  <SCORE.INTRA.DIHEDRAL.0>
19.9447

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.12305

>  <SCORE.INTRA.VDW.0>
2.33408

>  <SCORE.INTRA.norm>
-0.379058

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.230033

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000596

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 34  0  0  0  0  0  0  0  0999 V2000
  209.1402  209.5264  253.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8233  208.5249  252.8414 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.8850  207.6050  252.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5899  206.3232  252.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8255  205.4056  251.4490 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.4353  205.0310  252.0040 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.7065  204.5094  250.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1408  205.4483  249.6563 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.5541  205.9730  250.0290 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.7129  205.6353  249.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9574  206.4351  249.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7406  206.9467  248.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9108  207.8415  248.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2455  207.0950  248.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3654  205.9834  249.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1228  206.5272  251.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0936  206.3850  251.6929 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2308  207.1968  251.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0832  207.7190  252.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0252  204.7955  248.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7261  206.1301  252.5684 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7181  209.2236  251.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5009  209.7774  251.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4557  210.4323  250.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8236  210.2563  250.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7560  210.8795  249.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3238  211.6823  248.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9591  211.8687  248.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0255  211.2463  249.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6266  207.6698  253.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0916  204.5744  248.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.6363  206.8374  251.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1143  207.0860  253.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  1  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  6  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
-100.92006488,100.04773894,-175.36314798,-112.33592237,56.53664170,62.77877789
-72.96356708,-139.60826759,99.93990180,-62.22942785,-55.56894958,103.29334097
-178.80730980,16.35254101,210.49585821,207.59005364,250.71551490,3.08287874
-0.56125679,-1.86291822

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448025/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.48494

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.546667

>  <SCORE.INTRA>
-8.91506

>  <SCORE.INTRA.DIHEDRAL>
0.512901

>  <SCORE.INTRA.DIHEDRAL.0>
3.78015

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0344332

>  <SCORE.INTRA.REPUL.0>
0.0344332

>  <SCORE.INTRA.VDW>
-5.59934

>  <SCORE.INTRA.VDW.0>
1.34682

>  <SCORE.INTRA.norm>
-0.297169

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.249498

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009646

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  200.6822  199.1569  246.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1517  198.5301  247.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5735  197.5610  247.8188 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3396  199.1000  248.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0312  200.2018  247.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1459  200.7180  248.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5722  200.1459  249.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8883  199.0541  249.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7838  198.5304  249.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1833  197.4485  249.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4206  197.1839  249.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-0.45549909,-0.57074334,202.45869242,198.97232681,248.31991254,-3.00641440
0.63997644,2.26523049

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448034/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39642

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.00357709

>  <SCORE.INTRA.DIHEDRAL>
-0.0130175

>  <SCORE.INTRA.DIHEDRAL.0>
0.0137718

>  <SCORE.INTRA.POLAR>
-0.000265512

>  <SCORE.INTRA.POLAR.0>
-0.061238

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00383439

>  <SCORE.INTRA.VDW.0>
1.35126

>  <SCORE.INTRA.norm>
-0.000357709

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.639642

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 52 53  0  0  0  0  0  0  0  0999 V2000
  193.9216  218.7710  240.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4477  219.0362  240.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6814  219.4368  241.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6829  219.8451  243.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0535  219.3476  244.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1514  217.9767  245.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1739  217.1047  245.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6789  217.3554  245.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6094  218.4818  245.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3788  219.2772  243.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8105  219.0589  242.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8143  217.9759  241.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7771  216.7908  240.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8842  215.6894  240.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1575  215.3156  240.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1620  215.6067  242.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7537  214.7100  243.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7829  214.1661  245.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3892  214.3067  246.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4956  215.0705  248.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4129  216.1533  249.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8897  216.2579  250.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4779  216.3494  251.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3217  216.1835  252.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0253  215.1503  253.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6924  215.5335  254.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5646  216.1537  255.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5636  216.3670  256.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6903  217.4406  256.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8232  217.5865  255.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0520  218.5992  254.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2252  219.8028  254.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8594  219.7420  252.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5837  219.5853  252.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1290  219.4448  251.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9384  219.3663  250.9707 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1408  219.5287  250.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7150  219.4251  248.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
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  191.4457  219.5815  249.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
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  190.9235  219.7357  251.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1131  219.8323  252.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9416  216.5686  255.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4346  214.9406  253.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6165  216.1062  249.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9293  213.0942  244.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3209  214.9898  239.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4448  220.4667  244.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5665  217.5874  245.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7629  218.7932  239.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 52  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 47  1  0  0  0  0
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 26 46  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 35 37  1  0  0  0  0
 37 42  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
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 43 44  2  0  0  0  0
M  END
>  <CHROM.1>
-119.01332658,55.91961470,-119.83463864,-5.80288238,62.70595262,15.33122997
126.34092543,-177.76708125,5.37435152,108.66785245,-68.70150161,-106.64231867
110.61560769,59.98666027,115.54838439,-123.47102592,-64.52078825,-101.68144743
79.27762814,-58.89644838,114.79388082,-117.84004727,113.81606714,189.95683551
217.56026850,247.89335335,0.81405809,1.41315213,-0.83308630

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448035/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.762498

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.546154

>  <SCORE.INTRA>
-27.6375

>  <SCORE.INTRA.DIHEDRAL>
-31.8808

>  <SCORE.INTRA.DIHEDRAL.0>
37.7375

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.6971

>  <SCORE.INTRA.VDW.0>
-5.36571

>  <SCORE.INTRA.norm>
-0.53149

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.0146634

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.263444

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  189.9531  209.5335  257.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9137  208.4187  258.3275 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.2283  207.6903  258.0751 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4800  207.8160  256.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6797  208.8968  256.1288 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.4972  209.8509  255.3815 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5877  210.4864  255.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2861  211.4102  255.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8956  211.7825  253.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4299  212.6977  253.3069 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8797  211.0345  253.3938 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1365  210.0901  254.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1999  209.5320  253.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3329  212.0516  255.8438 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.4057  208.2930  258.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5633  207.4828  258.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2894  207.5817  257.1302 P   0  0  1  0  0  0  0  0  0  0  0  0
  195.6436  207.4958  257.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6830  206.0859  256.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0155  207.6807  255.5630 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1953  207.7903  254.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0178  207.0496  254.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1565  207.2971  253.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5125  208.2002  252.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6785  208.9534  252.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5267  208.7417  253.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6057  208.4909  251.1690 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7895  207.5826  258.0492 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5907  211.2579  252.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7315  206.1469  256.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0031  209.0652  250.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7272  208.8730  251.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7456  206.8706  258.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  6  0  0  0
  3  4  1  0  0  0  0
  3 15  1  1  0  0  0
  4  5  1  0  0  0  0
  5  1  1  1  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  1  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
>  <CHROM.1>
-178.78648477,173.03314469,63.97274830,72.98547698,142.58083197,77.61963760
-36.85127426,-42.40930552,-172.36965972,192.57093259,208.86879404,255.53102516
1.62233777,-0.23224458,2.07740407

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448036/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.06846

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-10.3315

>  <SCORE.INTRA.DIHEDRAL>
0.63314

>  <SCORE.INTRA.DIHEDRAL.0>
9.1112

>  <SCORE.INTRA.POLAR>
-0.875564

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.67119

>  <SCORE.INTRA.VDW.0>
-0.376507

>  <SCORE.INTRA.norm>
-0.368984

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0738735

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  212.7649  189.3196  238.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1294  189.8396  237.7108 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.4722  191.1975  238.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7165  191.0838  239.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5967  190.0087  240.1641 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5523  188.8219  239.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8679  187.7772  240.0755 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2513  188.8716  238.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0695  190.0113  236.2900 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9340  190.3341  235.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.46831611,214.71721873,189.65390839,238.66069051,-3.08361133,-1.02830125
0.47185403

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448037/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.20348

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.196516

>  <SCORE.INTRA.DIHEDRAL>
-0.0395517

>  <SCORE.INTRA.DIHEDRAL.0>
0.0492692

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.17674

>  <SCORE.INTRA.VDW.0>
0.642706

>  <SCORE.INTRA.norm>
-0.0218351

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.578165

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016124

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  195.9622  211.6882  251.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5766  213.0075  251.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6121  213.9799  252.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2343  213.3944  253.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3702  215.3107  252.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4059  214.2030  251.7082 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4496  214.7360  250.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4710  215.0691  249.8526 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1499  214.8924  249.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9794  214.3015  250.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7530  214.5664  249.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7222  215.3885  248.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8917  215.9837  247.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1019  215.7419  248.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5836  215.6862  247.7542 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4685  214.8553  248.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3410  214.5937  249.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2925  214.6989  250.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5185  214.1018  250.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4334  213.1626  251.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2561  213.6113  252.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4654  213.4995  252.6040 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4273  214.2023  253.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0796  214.6771  254.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6067  213.4887  247.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2037  215.5350  247.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5515  213.7470  252.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
68.84622530,-59.56595525,-11.74472142,52.31142082,-79.00356000,-179.50616947
191.73535698,214.38136932,250.58863805,-0.43922714,0.01173310,-1.31261708

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448038/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.44807

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-2.95193

>  <SCORE.INTRA.DIHEDRAL>
-2.93387

>  <SCORE.INTRA.DIHEDRAL.0>
8.74083

>  <SCORE.INTRA.POLAR>
-0.898566

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.57013

>  <SCORE.INTRA.VDW.0>
1.82946

>  <SCORE.INTRA.norm>
-0.113536

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.324926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000762

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 31  0  0  0  0  0  0  0  0999 V2000
  195.8201  206.7701  244.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0259  207.5970  245.2300 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0577  206.7098  246.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3051  206.2838  247.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5333  206.3662  245.2116 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.0750  204.7896  246.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1640  203.7274  245.7971 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7230  202.3655  246.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9593  202.0090  247.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9734  201.6119  245.4871 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5509  201.8930  245.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3090  202.3248  243.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1618  202.7956  243.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0049  202.2220  243.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4717  203.5475  244.3713 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7077  203.1291  243.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6614  202.9294  244.7001 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8709  203.0196  242.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8096  204.3918  241.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4686  205.1309  241.9139 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.5435  206.5723  241.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4357  207.5689  242.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7388  206.6342  240.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4412  204.3744  241.1596 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9494  208.2637  246.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4855  201.2236  244.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.8874  202.5475  242.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6848  203.4576  243.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7779  207.5417  239.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5888  204.9436  241.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.1625  203.5619  241.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4220  207.5739  246.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
M  END
>  <CHROM.1>
98.27702133,-64.37563780,154.90763417,-59.01169777,-175.00541347,-90.46429698
152.05488269,-79.38509587,116.72869429,-22.66041398,177.40871976,66.93529163
-63.46986829,172.70415920,-114.00335663,-171.28093991,179.16225688,193.23008282
204.62637541,244.20936060,-0.38680436,0.91460718,1.83498889

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448039/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0069

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.776

>  <SCORE.INTRA>
-9.39308

>  <SCORE.INTRA.DIHEDRAL>
-0.759225

>  <SCORE.INTRA.DIHEDRAL.0>
11.2046

>  <SCORE.INTRA.POLAR>
-0.829092

>  <SCORE.INTRA.POLAR.0>
-1.17091

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.19456

>  <SCORE.INTRA.VDW.0>
-1.49971

>  <SCORE.INTRA.norm>
-0.375723

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.400277

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025288

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  202.8148  210.1307  244.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5845  210.7272  245.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9514  211.2579  244.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7458  211.8667  246.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1208  212.4024  245.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9067  213.0124  246.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2665  213.5349  246.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0543  214.1413  247.4927 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.4234  214.7692  248.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5560  213.1040  248.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1872  214.9633  246.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
179.90298274,179.98638939,179.83675342,179.97283815,-179.91424289,-47.40855460
207.35129308,212.53419462,246.24316393,-3.05304580,0.55923466,2.06087348

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448040/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.90324

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-1.49676

>  <SCORE.INTRA.DIHEDRAL>
0.27556

>  <SCORE.INTRA.DIHEDRAL.0>
0.135471

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.63454

>  <SCORE.INTRA.VDW.0>
1.57668

>  <SCORE.INTRA.norm>
-0.149676

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.990324

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018300

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  212.0977  191.1145  236.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3033  190.1450  235.4680 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.1106  189.5788  236.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6140  188.2894  236.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7768  187.8861  236.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1543  188.8687  235.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4137  186.6994  236.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8871  185.9121  237.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7078  186.3226  238.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0630  187.5153  237.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6131  188.0773  238.6645 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.0504  185.3652  239.5858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.6967  184.4463  238.0815 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.8317  186.2637  235.6994 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.7699  190.8325  234.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9420  189.8990  233.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3929  190.5714  231.9810 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.4210  191.7108  232.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5133  191.0914  231.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6098  189.5090  231.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  2   2   1  17   1
M  END
>  <CHROM.1>
-179.59973697,179.79222290,-61.90523162,210.89301082,187.98819165,236.12375740
-1.80829301,-0.54154220,2.16724340

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448041/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.20776

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.192244

>  <SCORE.INTRA.DIHEDRAL>
-0.0156505

>  <SCORE.INTRA.DIHEDRAL.0>
0.0417223

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.184418

>  <SCORE.INTRA.VDW.0>
1.51532

>  <SCORE.INTRA.norm>
-0.00961218

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.410388

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001624

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  195.3522  209.1241  240.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7908  209.2604  238.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9261  208.2646  238.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8397  207.8355  239.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0147  206.8037  238.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3038  206.1360  237.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3930  206.5947  236.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1797  207.6678  237.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6730  205.9393  235.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8922  204.8631  235.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8443  204.4838  235.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5329  205.0982  237.1264 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9976  206.3057  239.5929 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3037  207.0005  239.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.5950  205.4642  239.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
51.59721484,62.30895015,193.06607862,206.84477342,237.77674039,-1.03343616
-0.58516678,-2.13134256

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448050/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.87885

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.521149

>  <SCORE.INTRA.DIHEDRAL>
1.70632

>  <SCORE.INTRA.DIHEDRAL.0>
1.69151

>  <SCORE.INTRA.POLAR>
-0.0624589

>  <SCORE.INTRA.POLAR.0>
-0.0864632

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.16195

>  <SCORE.INTRA.VDW.0>
1.98443

>  <SCORE.INTRA.norm>
-0.0400884

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.529142

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000190

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 71 72  0  0  0  0  0  0  0  0999 V2000
  213.0461  201.7082  237.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4276  202.8945  236.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7895  202.8353  235.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9056  202.9479  237.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4442  203.4895  238.3755 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9613  203.7226  238.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1653  203.8533  237.5579 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4926  203.8219  239.8320 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1041  204.1115  240.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7980  205.5903  240.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1733  206.3405  239.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2521  206.4985  237.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6075  207.2015  236.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8808  207.7582  236.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7978  207.6230  237.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4464  206.9172  238.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7808  202.5303  239.3622 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6954  202.8226  240.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3643  203.8442  240.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8241  201.6972  241.3340 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.3826  201.2585  241.1561 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6583  202.1106  241.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4482  199.8761  241.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4480  202.3509  242.6497 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1843  202.8612  243.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5238  203.5844  242.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7385  202.4485  244.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3639  202.5086  246.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1205  201.6804  245.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5936  200.3006  245.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6864  199.2011  245.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8614  199.1527  243.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1585  197.9435  243.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3223  197.9468  241.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6988  196.7170  240.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1618  196.6806  240.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4843  197.7264  240.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9564  197.8548  240.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3891  198.3151  241.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8423  198.4485  241.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3596  199.1779  243.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6908  198.5377  244.2324 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8264  200.5090  243.6514 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2518  201.8955  244.6614 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1864  201.7989  245.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7064  201.0963  245.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2937  200.4350  246.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6200  201.5099  245.0212 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0438  203.3454  244.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5566  204.4829  244.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1320  203.3099  243.4704 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1394  203.6859  242.0111 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5106  203.5577  241.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7178  203.9276  239.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3868  203.2208  238.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2769  203.4740  237.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6476  204.6200  236.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1459  205.4605  237.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1729  205.1230  239.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9834  202.9482  241.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0821  203.5439  240.7651 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0709  201.6201  241.3882 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1115  203.8589  240.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3891  201.5918  239.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9830  199.2943  240.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3434  202.7450  242.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4173  200.5609  242.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3838  202.0272  245.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0244  200.6167  244.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8382  202.6030  243.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4120  201.1016  240.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 63  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 64  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  6  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 65  1  0  0  0  0
 24 25  1  0  0  0  0
 24 66  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 67  1  0  0  0  0
 44 45  1  1  0  0  0
 44 49  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 68  1  0  0  0  0
 48 69  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 70  1  0  0  0  0
 52 53  1  6  0  0  0
 52 60  1  0  0  0  0
 53 54  1  0  0  0  0
 54 59  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 60 61  2  0  0  0  0
 60 62  1  0  0  0  0
 62 71  1  0  0  0  0
M  END
>  <CHROM.1>
77.12619417,173.11260941,-19.96928288,115.48932384,-90.40252843,57.30064597
89.41739118,117.82611282,69.93803193,70.05617978,64.77906889,-47.58668099
-165.71634300,59.22405979,69.78048930,-175.34762312,78.13583768,171.83006160
178.47601555,176.92093478,68.46460506,70.97475580,-172.12705355,62.77449375
-179.14903133,-171.75925904,-118.74669076,49.74109741,52.24979292,123.32409568
-143.41602501,109.61962240,103.93940745,-178.26094837,-178.76923633,119.81936703
-134.82317527,-174.65051284,206.17878930,202.26545238,241.22100844,-0.45129155
-0.08887010,2.32921000

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448051/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-34.6704

>  <SCORE.INTER>
41.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
36

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.667742

>  <SCORE.INTRA>
-76.0704

>  <SCORE.INTRA.DIHEDRAL>
-10.0955

>  <SCORE.INTRA.DIHEDRAL.0>
35.6668

>  <SCORE.INTRA.POLAR>
-2.67177

>  <SCORE.INTRA.POLAR.0>
-0.238961

>  <SCORE.INTRA.REPUL>
0.00425927

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-61.9599

>  <SCORE.INTRA.VDW.0>
46.1372

>  <SCORE.INTRA.norm>
-1.22694

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
62

>  <SCORE.norm>
-0.5592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.676819

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  215.8533  190.0981  234.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8653  190.1575  235.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6756  190.2611  236.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4488  190.3075  235.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4141  190.2495  234.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6303  190.1439  233.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6360  190.0831  232.3685 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1485  190.2943  233.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0311  190.3854  234.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0508  190.4363  236.8497 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.3617  190.1023  236.6507 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.5495  190.0108  232.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
0.04760564,0.08180266,214.20651393,190.23778514,235.30317348,-0.23630606
0.06142800,-1.61395317

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448052/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
1.02776e-06

>  <SCORE.INTRA.DIHEDRAL>
2.76842e-06

>  <SCORE.INTRA.DIHEDRAL.0>
1.84736e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.56446e-07

>  <SCORE.INTRA.VDW.0>
0.176706

>  <SCORE.INTRA.norm>
9.34329e-08

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001067

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  215.4793  202.0429  245.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9322  200.9887  246.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4941  199.8146  245.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9119  198.8431  246.7568 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6034  198.9674  248.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0466  200.1489  248.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7756  201.2668  247.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4724  202.3744  248.0819 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7852  200.2960  249.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0631  199.2474  250.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6096  198.0595  250.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8840  197.9067  248.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5644  196.6383  248.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3225  195.5452  249.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6538  196.8286  247.7858 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0262  195.6335  247.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9915  195.1472  246.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4204  196.1818  245.1063 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.3889  197.0716  245.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3015  196.4386  243.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6375  197.0928  244.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6198  195.1586  243.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9425  195.8244  244.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8245  194.3785  244.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9621  196.1019  245.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7705  199.4462  244.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9509  199.8653  243.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2049  199.5148  242.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2780  198.7543  241.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0955  198.3420  242.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8418  198.6863  243.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
84.56106672,-146.60929590,-162.03281233,65.36536474,48.03214953,-33.71184933
-65.81000540,-53.10884122,216.93864049,198.11505475,246.16086137,2.44661964
-1.26617061,1.85136469

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448053/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.42832

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-10.9717

>  <SCORE.INTRA.DIHEDRAL>
-8.10453

>  <SCORE.INTRA.DIHEDRAL.0>
25.2339

>  <SCORE.INTRA.POLAR>
-1.49935

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.82161

>  <SCORE.INTRA.VDW.0>
2.39901

>  <SCORE.INTRA.norm>
-0.365723

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.080944

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  212.5116  194.5033  241.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0623  195.6086  242.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3275  195.2393  243.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1917  194.5155  244.3530 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.4920  195.1827  244.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3616  193.6029  243.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2038  194.0442  241.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7460  193.7768  245.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8511  193.4865  246.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0098  194.6226  247.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3047  195.3698  246.5234 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5767  196.2521  247.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8729  196.0256  248.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8682  195.0845  248.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0548  196.6695  249.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2664  196.3477  250.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4195  196.7999  251.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3182  197.6109  251.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1150  197.9581  250.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9744  197.4951  249.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
153.35562880,-47.63620656,46.23389217,174.06081241,210.53080860,195.49365854
246.81254212,0.92386068,0.73159033,-1.42633068

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448054/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.07761

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-5.32239

>  <SCORE.INTRA.DIHEDRAL>
-3.3263

>  <SCORE.INTRA.DIHEDRAL.0>
5.45767

>  <SCORE.INTRA.POLAR>
-1.01962

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.192539

>  <SCORE.INTRA.VDW.0>
-1.1102

>  <SCORE.INTRA.norm>
-0.280126

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.214611

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007339

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 77 79  0  0  0  0  0  0  0  0999 V2000
  230.2246  193.2928  250.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5094  191.9667  250.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2564  191.3172  249.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5220  189.9962  249.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3068  189.3389  248.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5523  188.0316  248.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4138  187.3349  246.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6601  186.0288  247.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5307  185.3266  245.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8085  184.0032  245.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3402  184.2497  246.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6215  182.9279  246.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1292  183.1649  246.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4049  181.8448  246.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9060  182.0708  247.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2057  180.7620  247.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6630  180.2253  248.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8954  178.9611  249.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0329  178.9347  250.0849 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3531  177.5180  248.3132 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.2347  176.2670  249.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6306  174.8611  248.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8677  173.7785  249.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8866  173.1151  248.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5867  173.4301  247.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1837  171.9820  249.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1569  172.5287  250.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0694  173.2404  249.5516 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0525  174.5986  249.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0321  175.2839  249.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8367  175.3169  248.8304 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.8282  175.2527  247.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1643  175.7417  246.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5883  173.8102  246.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6843  176.1282  246.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4480  175.6439  247.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1507  176.4718  246.4532 P   0  0  1  0  0  0  0  0  0  0  0  0
  209.2583  175.4991  245.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1088  175.8352  247.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8534  177.2996  245.6629 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5000  178.4677  244.5628 P   0  0  1  0  0  0  0  0  0  0  0  0
  208.3201  177.5120  243.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0483  179.2121  244.7585 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1466  179.6359  243.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5556  179.7925  243.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0297  180.1837  244.9442 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.3254  181.3819  245.5960 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.6636  181.1412  247.0684 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6488  179.6133  247.1736 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.8992  179.0867  245.8596 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6168  179.0337  248.1032 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3065  178.4667  249.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4045  178.1494  249.9787 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4458  178.5331  249.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8414  178.5087  249.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6207  178.9761  248.3273 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0201  179.4493  247.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7038  179.5444  246.9421 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9609  179.0672  247.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4193  178.0614  250.4847 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9191  181.7734  247.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9035  181.4429  245.4067 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5460  182.4765  244.0663 P   0  0  0  0  0  0  0  0  0  0  0  0
  207.1130  181.9717  244.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7111  183.7355  245.0728 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1886  183.5101  242.7258 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6020  174.7817  249.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0004  173.5902  250.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2841  172.6961  249.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.2154  175.7923  247.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.2289  180.1519  244.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.8621  177.7271  251.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4530  178.0871  250.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6371  181.2566  246.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5453  184.2084  244.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4738  184.1042  243.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.8953  175.2869  248.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 69  1  0  0  0  0
 29 30  2  0  0  0  0
 31 29  1  1  0  0  0
 31 32  1  0  0  0  0
 31 67  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  6  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 39 70  1  0  0  0  0
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 41 42  2  6  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
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 44 45  1  0  0  0  0
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 46 50  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 62  1  1  0  0  0
 48 49  1  0  0  0  0
 48 61  1  6  0  0  0
 49 50  1  0  0  0  0
 49 51  1  1  0  0  0
 51 59  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 59  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 55 60  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 60 72  1  0  0  0  0
 60 73  1  0  0  0  0
 61 74  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 63 66  1  0  0  0  0
 65 75  1  0  0  0  0
 66 76  1  0  0  0  0
 67 77  1  0  0  0  0
M  END
>  <CHROM.1>
-179.21545060,-178.52181488,-179.02936667,-176.50648534,179.98201105,-179.56331629
178.52793544,71.30260667,-178.53963857,-174.96633536,-179.56967624,179.93758051
-174.17904823,64.56812369,176.54040568,-106.28681842,-179.38621689,-170.43861825
174.89016141,105.68824234,77.25443884,64.53071639,-99.21781938,-76.83958517
-52.50741760,179.62549359,-61.07762468,-170.47347070,83.51207556,-154.55900333
-68.15760735,98.18464940,131.07853022,32.89612152,-57.48172284,-50.74788540
-95.99128735,-73.29458965,107.99355095,166.83717928,106.88983575,-129.33762290
215.32163591,179.72166321,247.22883330,0.45710275,-0.27739284,-0.29101012

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448055/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.5612

>  <SCORE.INTER>
41.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
36

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.61791

>  <SCORE.INTRA>
-28.8388

>  <SCORE.INTRA.DIHEDRAL>
2.86441

>  <SCORE.INTRA.DIHEDRAL.0>
22.2682

>  <SCORE.INTRA.POLAR>
-3.84768

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-17.1889

>  <SCORE.INTRA.VDW.0>
0.793441

>  <SCORE.INTRA.norm>
-0.430429

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
67

>  <SCORE.norm>
0.187481

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012105

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  204.0428  196.2408  239.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7123  196.4932  240.6697 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.1284  197.6904  239.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3000  198.4324  239.5604 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4131  197.6211  239.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4936  197.9649  239.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9425  196.8198  242.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3115  199.3601  239.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0724  196.9424  242.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-178.01374019,203.57550317,197.34457505,240.13280594,-0.76209327,-0.32992588
2.36277431

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448056/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.99784

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.771429

>  <SCORE.INTRA>
-0.402156

>  <SCORE.INTRA.DIHEDRAL>
-0.0136635

>  <SCORE.INTRA.DIHEDRAL.0>
0.150448

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.395324

>  <SCORE.INTRA.VDW.0>
0.384517

>  <SCORE.INTRA.norm>
-0.0574508

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.713978

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.093941

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 23  0  0  0  0  0  0  0  0999 V2000
  196.1564  213.8509  264.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6621  214.1441  264.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0769  213.6109  263.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5780  213.8863  262.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0020  213.3751  261.5534 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.4530  213.3262  261.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8058  212.2947  262.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5403  214.2015  260.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9811  214.1010  260.1949 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5718  213.0258  259.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9266  212.0695  259.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0884  213.1182  259.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7525  212.8818  260.8465 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2609  211.4519  261.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8276  213.8035  261.1433 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5355  215.1090  261.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4093  215.5997  261.3536 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7636  215.9152  261.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3585  215.6128  263.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8377  214.1823  263.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3230  213.3193  263.8119 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8905  213.9285  262.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5610  214.8481  260.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2009  213.0038  262.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-178.86640614,178.45250250,165.85070748,-67.58526897,63.10042308,80.36078022
72.78588865,98.03310936,67.78500576,2.50404282,-70.03033185,63.28370684,-111.34809301
-179.07731377,195.71431414,213.75010577,261.76991253,0.16907537,0.11138283
1.31178752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448057/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.28892

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.836364

>  <SCORE.INTRA>
-9.11108

>  <SCORE.INTRA.DIHEDRAL>
2.62237

>  <SCORE.INTRA.DIHEDRAL.0>
7.72766

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.02227

>  <SCORE.INTRA.VDW.0>
1.63539

>  <SCORE.INTRA.norm>
-0.41414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.422223

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006868

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  197.3297  208.1685  244.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9259  208.8110  243.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9408  208.0831  242.5755 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4441  208.6928  241.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9427  209.9822  241.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8719  210.6428  242.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3713  210.0772  243.7975 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2540  211.9771  242.8250 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3734  210.5718  240.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3165  210.7988  239.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1468  211.7253  239.8306 P   0  0  0  0  0  0  0  0  0  0  0  0
  197.5740  212.8763  240.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2689  212.1069  238.5557 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1631  210.7367  240.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6834  212.5761  242.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2419  212.0322  242.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4673  212.6013  238.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9322  209.9875  240.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <CHROM.1>
67.03673586,60.87007474,56.10562445,39.39065767,174.17155333,-50.64430516
197.86699163,210.56405952,241.38077863,1.28750905,0.85574047,2.39645055

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448058/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.96744

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-4.43256

>  <SCORE.INTRA.DIHEDRAL>
-1.02877

>  <SCORE.INTRA.DIHEDRAL.0>
3.06454

>  <SCORE.INTRA.POLAR>
-0.829002

>  <SCORE.INTRA.POLAR.0>
-0.170734

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09956

>  <SCORE.INTRA.VDW.0>
-1.18077

>  <SCORE.INTRA.norm>
-0.316611

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.354817

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000225

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 33  0  0  0  0  0  0  0  0999 V2000
  200.9542  195.1113  246.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7879  195.9862  246.8378 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6893  196.1039  248.3717 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4922  194.7582  249.0996 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3199  195.0220  250.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5309  195.5359  251.1546 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7893  194.3508  251.2227 P   0  0  0  0  0  0  0  0  0  0  0  0
  202.3572  194.7386  249.8613 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6079  195.1567  252.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0479  193.1656  251.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3481  194.0665  248.5919 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8561  196.7687  248.8784 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8427  197.3015  246.2598 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2318  195.5409  246.8761 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1356  196.4254  246.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4525  196.1248  246.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3983  197.0819  245.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5805  196.7912  245.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8568  198.2474  245.1916 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5335  198.5463  245.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0865  199.5920  244.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7189  197.6083  245.7759 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9965  194.9382  246.8416 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5151  196.1208  252.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7417  192.5021  250.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5107  193.8490  247.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7638  196.8359  249.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0722  197.8071  246.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2820  195.5817  247.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4691  198.8973  244.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7424  197.8478  245.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7350  194.5989  246.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3443  195.1143  247.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  1  0  0  0
  4  5  1  1  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
>  <CHROM.1>
-53.82080955,-92.90074465,-59.92438641,177.48687259,-176.33094237,179.53156892
-66.77847474,63.75534831,-69.71401115,91.74605230,-33.37534123,-156.24029158
-135.56114161,139.06511639,202.11130495,195.93163937,248.05150327,1.05109696
0.02750724,-1.03869233

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448059/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.673824

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626087

>  <SCORE.INTRA>
-15.0738

>  <SCORE.INTRA.DIHEDRAL>
-2.2599

>  <SCORE.INTRA.DIHEDRAL.0>
7.12033

>  <SCORE.INTRA.POLAR>
-2.91203

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.04296

>  <SCORE.INTRA.VDW.0>
0.807862

>  <SCORE.INTRA.norm>
-0.655384

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.0292967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004377

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  211.1958  187.3363  235.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5780  188.0235  237.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5596  189.3888  237.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9690  190.1131  236.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0085  189.7948  238.2430 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9007  191.1738  238.3723 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5276  192.1305  237.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5905  193.3310  238.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9364  192.9832  239.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1245  191.6703  239.6039 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2962  187.5255  237.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-177.82362948,41.60994263,210.26059681,190.50120051,237.71867700,-0.24480373
1.35054733,-0.83873086

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448060/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.5205

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-4.8795

>  <SCORE.INTRA.DIHEDRAL>
-10.2102

>  <SCORE.INTRA.DIHEDRAL.0>
11.8495

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.225574

>  <SCORE.INTRA.VDW.0>
-0.210028

>  <SCORE.INTRA.norm>
-0.48795

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.25205

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018295

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  213.2271  181.8136  252.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1072  182.6529  253.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6691  183.9294  253.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3498  184.3814  252.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4727  183.5269  250.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9116  182.2489  250.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9440  185.7644  252.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0025  186.8012  251.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6835  186.4466  250.0764 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8419  187.2981  249.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4371  187.2013  248.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-93.64315897,-59.98453838,179.54457735,179.88443856,213.67597359,184.83932580
251.18108796,1.31947643,1.12907241,2.77704569

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448061/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.83471

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-2.56529

>  <SCORE.INTRA.DIHEDRAL>
-2.15836

>  <SCORE.INTRA.DIHEDRAL.0>
2.87237

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.48611

>  <SCORE.INTRA.VDW.0>
0.575732

>  <SCORE.INTRA.norm>
-0.233208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.621338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.086499

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 37  0  0  0  0  0  0  0  0999 V2000
  204.8904  214.2693  240.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5791  213.5876  242.1808 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9045  214.4310  243.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1416  215.7605  243.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6666  215.6742  242.9535 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1322  217.0750  242.4028 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.7418  216.7923  241.8110 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7174  217.8920  241.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3637  217.1807  241.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6265  215.6813  240.9640 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.5348  215.5403  239.8309 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.8583  215.8961  240.5233 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.3718  214.5182  241.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4662  214.5768  242.0056 N   0  0  2  0  0  0  0  0  0  0  0  0
  203.0694  213.2910  242.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4024  215.7589  238.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7810  215.2787  239.2864 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.5846  214.8443  240.4437 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0349  213.3702  239.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4163  212.4797  240.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9321  211.3974  241.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1685  213.0549  241.3430 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5768  214.1244  240.0881 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.7322  213.2655  239.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8517  212.2161  239.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6409  211.2390  240.7817 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2980  211.9842  241.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5836  209.9962  241.5005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.6388  215.1032  240.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0155  217.7770  241.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9727  217.9690  243.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3836  217.5375  244.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  6  0  0  0
  6 31  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
 12 13  1  1  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 17 16  1  6  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  1  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-55.66472294,199.04276690,214.37371375,241.23684074,-0.37471309,0.25252106
2.96107038

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448063/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.90673

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.174194

>  <SCORE.INTRA>
-0.493266

>  <SCORE.INTRA.DIHEDRAL>
-0.0268306

>  <SCORE.INTRA.DIHEDRAL.0>
0.0678649

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.479851

>  <SCORE.INTRA.VDW.0>
0.457196

>  <SCORE.INTRA.norm>
-0.0159118

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.158282

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000491

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  445.9691   29.3283  189.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
  446.7704   28.0929  189.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  446.5658   27.1818  190.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
  445.4464   27.2527  191.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
  445.3390   26.3422  192.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
  444.4157   28.3487  191.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
  445.0447   29.9137  190.8415 S   0  0  0  0  0  0  0  0  0  0  0  0
  447.9224   27.8797  188.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
  448.7393   26.7540  188.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
  449.8267   26.5410  188.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  450.1006   27.4474  187.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  449.2869   28.5689  186.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  448.2027   28.7831  187.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
179.89611169,446.94365110,28.07140166,189.68466350,2.89844822,-0.69435951
2.57255077

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448064/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.79995

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-3.60005

>  <SCORE.INTRA.DIHEDRAL>
-12.7971

>  <SCORE.INTRA.DIHEDRAL.0>
12.7985

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.79848

>  <SCORE.INTRA.VDW.0>
-0.637469

>  <SCORE.INTRA.norm>
-0.276927

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.215381

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.137422

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  210.2457  198.5680  240.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3593  197.4626  241.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0560  197.7427  241.0933 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2437  196.4068  241.6203 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.6146  195.3945  241.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7183  196.1264  241.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4943  195.4785  241.3603 Br  0  0  0  0  0  0  0  0  0  0  0  0
  208.4816  194.0379  242.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5273  193.2817  242.3393 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2258  191.9935  242.7917 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3046  191.2773  242.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5651  191.7250  242.6289 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2507  189.5927  243.3527 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.4875  189.3706  243.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5322  192.7043  242.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0913  191.1329  242.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.78093280,-179.61231310,1.36383245,-2.69088204,209.85361178,194.28287578
241.95600788,-1.63699174,-0.12228650,2.83670051

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448065/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.69994

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-0.700062

>  <SCORE.INTRA.DIHEDRAL>
-0.0619247

>  <SCORE.INTRA.DIHEDRAL.0>
0.54154

>  <SCORE.INTRA.POLAR>
-0.0444305

>  <SCORE.INTRA.POLAR.0>
-0.105736

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.518036

>  <SCORE.INTRA.VDW.0>
-0.354847

>  <SCORE.INTRA.norm>
-0.0500044

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.621424

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000049

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  223.6922  186.9202  243.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6471  188.4189  243.3501 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.8123  189.2526  242.0775 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.6440  188.9748  241.1185 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.3814  187.4923  240.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8720  186.5114  241.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6331  185.1293  241.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8461  184.7623  240.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3155  185.7541  239.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5882  187.0986  239.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5311  185.3868  238.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2671  184.0446  238.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7858  183.0413  239.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5778  183.3966  240.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1057  182.3836  240.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8351  181.0377  240.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0519  180.6919  239.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5310  181.6858  238.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8895  182.7425  242.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1470  184.0870  242.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9109  189.5821  239.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0680  188.9880  241.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4313  188.7510  244.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7802  189.2433  239.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.7912  189.2153  242.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.4326  189.7037  244.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  6  0  0  0
  3  4  1  0  0  0  0
  3 22  1  6  0  0  0
  4  5  1  0  0  0  0
  4 21  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
178.91837180,-60.44340594,54.58567060,222.30830066,185.65193604,240.89569077
-0.90976061,1.05148029,2.88650084

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448074/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.76062

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.234783

>  <SCORE.INTRA>
-3.63938

>  <SCORE.INTRA.DIHEDRAL>
-4.94001

>  <SCORE.INTRA.DIHEDRAL.0>
5.20819

>  <SCORE.INTRA.POLAR>
-0.0933501

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.851981

>  <SCORE.INTRA.VDW.0>
0.605748

>  <SCORE.INTRA.norm>
-0.158234

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0765489

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.064001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  202.5063  221.8471  260.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3537  221.4423  259.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8720  221.0782  258.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9512  220.6830  257.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5059  220.1170  256.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6411  219.6905  255.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2584  219.8381  255.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7158  220.3943  256.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5683  220.8072  257.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5474  219.4251  254.5635 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3614  218.9040  253.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0245  218.9371  254.1038 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.0263  218.4356  252.4217 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9521  217.9201  251.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1432  217.7077  251.6717 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1425  217.5779  250.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5705  217.0463  249.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9522  216.6156  248.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6256  215.8246  249.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9222  215.3741  249.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5463  215.7113  248.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8785  216.4994  247.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5854  216.9515  247.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8449  217.8910  250.5967 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7390  218.3840  251.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2624  218.8491  252.5035 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.0542  217.7745  249.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
179.95495920,-169.43516888,178.87655588,47.58453760,200.21471966,218.67387936
253.32733325,-1.58102691,0.14577836,-1.99894742

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448075/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.54853

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-12.9485

>  <SCORE.INTRA.DIHEDRAL>
-30.3271

>  <SCORE.INTRA.DIHEDRAL.0>
37.353

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.21502

>  <SCORE.INTRA.VDW.0>
-0.658803

>  <SCORE.INTRA.norm>
-0.49802

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
-0.136482

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  208.1407  195.5890  244.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2016  196.3967  243.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9807  196.0556  242.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2259  197.8982  243.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2120  198.5599  243.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1082  198.4066  244.2104 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9096  199.7911  244.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7322  200.7647  243.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4255  202.1385  244.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2982  202.5438  244.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5993  201.5745  245.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8910  200.2250  245.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9239  203.9065  244.8084 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8189  204.5300  245.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4760  203.8442  246.1137 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.7977  205.9161  245.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7209  206.6908  244.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7356  206.2188  244.1155 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4172  208.1389  244.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3416  208.8411  243.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2363  210.2234  243.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1465  211.0081  242.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6381  212.3219  242.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4404  212.2829  243.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1878  211.0320  243.9042 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4884  197.7535  244.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4927  204.5234  244.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.9728  206.3463  245.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
116.29414028,9.55728242,175.31882079,-179.01210919,-179.47531816,206.32237988
203.73201659,244.26248599,-1.39521020,0.64238227,-0.11265319

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448076/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.9991

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-2.4009

>  <SCORE.INTRA.DIHEDRAL>
-2.42662

>  <SCORE.INTRA.DIHEDRAL.0>
3.25394

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.18759

>  <SCORE.INTRA.VDW.0>
1.38869

>  <SCORE.INTRA.norm>
-0.096036

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.319964

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  190.6456  205.1814  254.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5195  203.9361  254.6378 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0864  203.4472  253.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7243  202.3995  253.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9474  204.2585  252.1778 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6446  204.0106  250.9035 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0834  204.6860  250.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1295  204.0721  250.7355 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0471  206.1060  251.0125 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2020  206.6430  249.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2730  207.7359  249.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1320  207.2979  250.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0390  206.8811  251.8284 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.5989  206.7909  253.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6766  207.2827  253.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6785  206.5138  254.2497 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7926  205.2482  254.9889 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.3944  205.1523  255.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8841  206.1341  256.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6951  203.9796  255.5173 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2465  204.1132  254.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6437  202.5244  250.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2565  201.9021  250.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5947  202.4456  248.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3618  203.9666  248.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4866  204.4521  250.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4246  205.9689  250.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4031  206.6251  250.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7247  206.6659  250.3117 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.7400  208.0979  250.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0777  207.0180  251.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6438  205.2144  252.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7573  207.2375  254.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2652  203.1409  255.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  6  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 34  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 27  1  1  0  0  0
 29 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
63.19867286,70.19665610,-58.92902381,-58.68809374,172.44687094,119.48147050
-163.55810278,192.77879718,205.21687107,252.03582842,0.54653151,0.53211607
1.95143463

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448077/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1403

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-6.2597

>  <SCORE.INTRA.DIHEDRAL>
-1.13396

>  <SCORE.INTRA.DIHEDRAL.0>
4.16999

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.29271

>  <SCORE.INTRA.VDW.0>
-0.597965

>  <SCORE.INTRA.norm>
-0.201926

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.198074

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005904

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  193.3409  218.3788  263.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4998  217.0610  262.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6526  216.0051  263.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5144  215.9954  264.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7465  214.9119  264.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9619  213.7043  263.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9545  213.5953  262.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8820  214.7251  262.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7385  214.5565  261.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7060  217.0056  262.3096 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4315  218.0268  262.2882 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5586  217.7748  261.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8214  216.7034  260.9628 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5388  218.8979  261.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7286  218.9901  260.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2359  220.2666  261.0093 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4144  220.9347  261.9386 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2859  220.1058  262.0945 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7384  220.0645  263.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4207  218.0429  260.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2095  220.2588  261.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0524  219.3679  263.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0040  217.8869  259.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5017  217.1674  260.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
-6.04420368,-1.10378579,178.96020073,75.97384347,-42.31108712,195.23773142
217.37477672,262.25511555,2.73162156,-0.53281793,-2.65152914

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448079/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-16.6013

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-26.0013

>  <SCORE.INTRA.DIHEDRAL>
-57.447

>  <SCORE.INTRA.DIHEDRAL.0>
58.329

>  <SCORE.INTRA.POLAR>
-0.566072

>  <SCORE.INTRA.POLAR.0>
-0.335306

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
4.6469

>  <SCORE.INTRA.VDW.0>
-1.89695

>  <SCORE.INTRA.norm>
-1.30006

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
-0.830063

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000448

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  193.4995  217.3712  254.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6132  216.6745  254.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2770  215.7492  255.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9379  215.8524  255.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3988  216.8405  254.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9766  217.2528  254.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6898  218.3314  255.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2556  219.0722  255.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-87.56732565,60.93149231,192.72276854,216.90483481,255.17283106,-0.31683612
0.36468544,-0.66163705

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448080/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.22262

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-0.177378

>  <SCORE.INTRA.DIHEDRAL>
-0.21094

>  <SCORE.INTRA.DIHEDRAL.0>
1.54061

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0719084

>  <SCORE.INTRA.VDW.0>
-0.312231

>  <SCORE.INTRA.norm>
-0.0253398

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.888946

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001218

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  208.8904  182.3461  246.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1905  183.7756  246.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1125  184.2971  245.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3815  185.7298  244.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2849  186.1692  243.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4170  186.9872  243.9783 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4018  185.4773  242.4993 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4097  185.7425  241.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8104  185.9625  240.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8400  186.0960  239.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4791  185.9974  239.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0842  185.7768  240.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0536  185.6363  241.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4539  186.1001  238.5121 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.8363  186.2722  237.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2677  185.9973  238.8552 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <CHROM.1>
-179.60152618,179.34303651,108.30194302,177.38065008,134.49420316,206.10590492
185.51332439,241.91485802,0.71879226,0.73247359,2.49664703

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448081/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.02562

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-2.37438

>  <SCORE.INTRA.DIHEDRAL>
-4.58467

>  <SCORE.INTRA.DIHEDRAL.0>
8.57321

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0820505

>  <SCORE.INTRA.VDW.0>
-0.35577

>  <SCORE.INTRA.norm>
-0.148399

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.501601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000494

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  217.1751  187.5569  251.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2529  188.6814  252.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6344  188.3037  253.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9384  187.0611  254.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8080  185.7986  254.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1724  185.1943  252.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1320  186.0386  252.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4862  186.8373  250.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1037  184.7978  254.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0112  185.1171  255.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-63.48011835,217.72864711,186.66206894,252.96001012,1.34862520,1.06424453
-0.71215337

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448090/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.12169

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.278312

>  <SCORE.INTRA.DIHEDRAL>
-0.00805491

>  <SCORE.INTRA.DIHEDRAL.0>
0.202177

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.274284

>  <SCORE.INTRA.VDW.0>
0.393292

>  <SCORE.INTRA.norm>
-0.0309235

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.569076

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003099

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 47  0  0  0  0  0  0  0  0999 V2000
  206.8541  201.8920  251.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6125  202.5106  252.5206 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8413  203.2366  253.8515 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.4040  204.6618  253.6586 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6113  205.4207  252.5758 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5453  204.5732  251.2886 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9326  203.3311  251.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7260  205.2661  250.3342 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3389  206.4751  249.8463 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5578  206.1861  248.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3191  204.9620  247.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0735  205.1706  246.9344 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.3932  206.3418  247.5924 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3957  207.1499  248.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6201  207.0327  246.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4796  206.1354  246.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5066  204.9906  245.7164 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6638  204.0925  246.4373 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.8420  203.1992  247.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2714  203.4432  247.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2993  204.4727  247.0535 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.9388  204.6881  245.6420 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1348  205.9255  245.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7594  206.8780  246.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8431  206.0171  247.6013 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.3876  206.7991  248.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3033  206.3709  249.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5944  207.4734  250.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3595  207.3797  251.5951 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8689  208.5459  250.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0801  208.2283  249.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7005  203.6209  244.7364 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8828  203.7960  246.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7957  205.5316  245.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5837  205.0274  244.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2765  205.6893  253.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3730  205.3064  254.9489 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0432  206.5532  255.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7145  202.4553  254.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1403  202.8157  245.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8406  206.1743  252.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8359  202.9458  255.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  1  0  0  0
  4  5  1  0  0  0  0
  4 37  1  1  0  0  0
  5  6  1  0  0  0  0
  5 36  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  6  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  6  0  0  0
 22 23  1  0  0  0  0
 22 32  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 40  1  0  0  0  0
 34 35  2  0  0  0  0
 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <CHROM.1>
179.98106661,170.75201278,179.42714905,68.68442712,69.26989072,131.18722831
61.85639809,-2.81488061,203.55137073,205.28392095,249.30826609,-0.87362704
0.49690854,-1.80686851

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448091/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.469709

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-9.93029

>  <SCORE.INTRA.DIHEDRAL>
-9.69344

>  <SCORE.INTRA.DIHEDRAL.0>
11.6856

>  <SCORE.INTRA.POLAR>
-0.780829

>  <SCORE.INTRA.POLAR.0>
-0.236935

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.42875

>  <SCORE.INTRA.VDW.0>
-1.51517

>  <SCORE.INTRA.norm>
-0.254623

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.0120438

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.045166

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  194.3485  215.5949  263.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5189  215.4659  265.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4041  216.3623  265.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5538  216.3729  266.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7239  215.7379  267.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4664  217.3855  265.8854 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.9951  218.7964  265.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7525  219.2263  265.0728 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5959  219.6722  267.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6357  217.1086  264.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1174  217.1060  263.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1677  216.8946  264.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3543  216.6686  263.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9075  216.4293  263.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2594  216.3863  265.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8887  216.1222  265.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1531  215.8841  264.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7877  215.9052  262.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1585  216.1703  262.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-179.79852428,3.81255083,-69.29876895,67.99476295,-62.18726255,178.71042174
-1.56975964,189.11711793,216.82049913,264.87983356,-0.17941708,0.08528443
-2.47131726

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448092/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.0572

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-7.3428

>  <SCORE.INTRA.DIHEDRAL>
-12.1442

>  <SCORE.INTRA.DIHEDRAL.0>
14.3025

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.2707

>  <SCORE.INTRA.VDW.0>
-0.174939

>  <SCORE.INTRA.norm>
-0.386463

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.266168

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.184000

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  202.5811  203.3247  251.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3205  204.5924  251.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1390  205.7132  251.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3140  204.5202  252.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6154  204.3714  254.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4221  204.2783  255.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2447  205.5534  255.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4336  204.1253  256.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3285  203.0409  255.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <CHROM.1>
-69.76452943,179.63276132,62.33161330,203.93699056,204.37743734,253.87269826
2.33982535,-1.08760434,-0.78826925

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448093/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.26981

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-0.130194

>  <SCORE.INTRA.DIHEDRAL>
0.0482493

>  <SCORE.INTRA.DIHEDRAL.0>
0.315516

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.154319

>  <SCORE.INTRA.VDW.0>
2.50726

>  <SCORE.INTRA.norm>
-0.014466

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.918867

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057050

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  203.3410  188.1513  253.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6140  188.1761  253.1493 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3235  186.9083  253.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3985  188.3667  251.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3890  189.3295  250.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3857  190.6313  251.6485 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5950  191.6693  251.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5047  192.1450  251.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7689  193.2205  251.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1361  193.8243  250.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2293  193.3483  249.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9377  192.2405  249.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6791  194.0204  248.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0016  195.1726  247.8638 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.9954  194.3655  248.1649 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.5219  193.2281  247.0415 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.1937  191.6216  253.1322 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1243  191.5742  254.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6252  191.8215  255.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4684  191.8776  256.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8340  191.6811  256.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3465  191.4019  255.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5044  191.3279  254.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1355  190.7680  252.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2669  190.2847  252.8851 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2479  191.8347  253.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 24  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
139.06246369,-55.38477291,-96.98385189,5.54713344,204.70998469,191.53406433
251.83623040,-1.19585555,1.40503247,-1.35332349

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448094/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.18937

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-2.21063

>  <SCORE.INTRA.DIHEDRAL>
2.00357

>  <SCORE.INTRA.DIHEDRAL.0>
3.16954

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.21242

>  <SCORE.INTRA.VDW.0>
0.14479

>  <SCORE.INTRA.norm>
-0.0884253

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.287575

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000450

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  180.4147  212.7672  250.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8617  213.1211  250.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6514  211.8739  250.2504 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.9054  212.2171  249.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8032  212.4517  250.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0295  212.0029  252.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3472  212.2701  253.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8206  211.0659  251.5427 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.3178  210.8053  251.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9546  209.5839  252.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6747  209.0124  252.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6817  209.6717  251.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9389  210.9344  251.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2270  211.4932  251.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5544  209.6861  251.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2423  209.0648  252.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8459  207.8175  252.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7814  207.1854  250.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1260  207.7958  249.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5301  209.0435  250.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1820  212.7291  250.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5198  213.1501  249.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7785  213.7276  248.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7038  213.8918  249.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4090  213.4123  251.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1774  212.8061  251.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
20.01082221,154.93461493,183.62979827,211.15389358,251.08211942,2.70409740
-0.11411772,2.95333934

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448095/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79321

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-1.60679

>  <SCORE.INTRA.DIHEDRAL>
-2.5668

>  <SCORE.INTRA.DIHEDRAL.0>
3.83368

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.323387

>  <SCORE.INTRA.VDW.0>
-1.59506

>  <SCORE.INTRA.norm>
-0.0617995

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.222816

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010234

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  197.0250  206.8272  253.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0637  205.9226  252.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7473  204.7855  252.0649 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9656  203.5138  251.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0146  202.7046  253.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5098  205.1970  250.5776 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.4969  205.3625  249.5645 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4674  206.2497  250.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4366  203.7388  250.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4981  203.3349  248.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2348  202.2021  248.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9150  201.4897  249.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8764  201.9091  250.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1245  203.0379  251.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6200  201.1016  251.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2595  200.1260  251.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5419  201.5476  253.1492 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2185  200.8664  254.1208 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1422  201.3338  255.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8448  200.6937  256.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6421  199.5507  256.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2129  199.3799  257.7091 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6258  200.3458  258.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8151  201.1506  257.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8911  200.5823  259.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3013  198.4803  258.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1514  197.7039  259.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1431  196.8333  259.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2954  196.6644  258.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4448  197.3659  257.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4580  198.2662  257.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6892  198.9830  256.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0313  200.3602  256.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8403  198.5931  255.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0994  202.4272  253.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
146.16328800,-80.21958649,-75.14526808,141.15131007,1.72078204,178.47333316
-1.15650591,-135.07205020,71.27608633,200.84655860,201.58529722,254.06504256
2.53534524,0.73873022,-1.64830977

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448096/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.87623

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.423529

>  <SCORE.INTRA>
-5.52377

>  <SCORE.INTRA.DIHEDRAL>
1.75889

>  <SCORE.INTRA.DIHEDRAL.0>
12.959

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.40322

>  <SCORE.INTRA.VDW.0>
3.55957

>  <SCORE.INTRA.norm>
-0.162464

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.261065

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000035

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  180.6302  218.0561  238.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6013  218.3008  237.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6963  219.3985  237.0121 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4327  217.1646  237.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3574  215.8936  237.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1624  214.8567  237.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0334  215.0881  236.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1166  216.3496  235.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3194  217.3899  236.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1127  213.6798  235.4640 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
-1.63991134,183.57055859,215.68322746,236.39051425,2.53888237,0.79842360
-0.36917945

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448097/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.55105

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.848949

>  <SCORE.INTRA.DIHEDRAL>
-2.72643

>  <SCORE.INTRA.DIHEDRAL.0>
2.73082

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.514266

>  <SCORE.INTRA.VDW.0>
0.654011

>  <SCORE.INTRA.norm>
-0.0848949

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.555105

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 42  0  0  0  0  0  0  0  0999 V2000
  204.1358  213.2449  257.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1554  212.1914  257.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6552  210.7916  257.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5965  209.7843  257.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2293  208.4857  257.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2672  208.1071  256.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9507  206.7523  256.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6028  205.7394  257.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5875  206.1284  257.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8963  207.4841  258.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2223  204.3361  256.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2736  203.9240  255.9906 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3695  202.5860  256.1063 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6002  201.5900  255.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7074  201.8159  254.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0094  200.2864  256.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1626  199.2370  256.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2911  198.1991  257.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9547  196.9887  257.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5922  195.9942  258.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6218  196.2477  259.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9434  197.4829  259.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2581  198.4562  258.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3389  199.4831  257.7087 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6678  199.4640  256.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9122  199.3600  255.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6126  200.8736  258.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6424  201.3690  259.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8227  202.7836  259.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8719  203.3879  259.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7583  202.5836  260.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5745  201.1960  260.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5123  200.5856  259.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8208  203.1384  261.0302 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.4534  200.5265  257.1777 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.3046  202.2339  257.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8546  203.2868  257.5415 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 37  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-179.85168418,-179.99445405,19.33234750,0.82113973,-5.99866693,169.34808573
203.23054769,202.88915776,257.65199857,0.91680044,-1.12035643,-0.61990658

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448098/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.54446

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308108

>  <SCORE.INTRA>
-3.85554

>  <SCORE.INTRA.DIHEDRAL>
0.82913

>  <SCORE.INTRA.DIHEDRAL.0>
2.72453

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.27011

>  <SCORE.INTRA.VDW.0>
-0.399498

>  <SCORE.INTRA.norm>
-0.104204

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.203904

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000063

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  194.1614  213.4996  249.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3816  212.9574  248.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7056  211.5702  248.1712 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0460  210.5513  249.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7668  209.2097  249.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4320  211.3217  246.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5562  211.7351  245.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8835  213.1641  245.7962 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3371  213.9679  244.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5848  213.5174  243.9441 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6724  215.4417  244.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8571  215.7969  245.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3930  216.9050  245.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2830  214.8633  246.6602 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9472  213.5249  246.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6285  212.6650  247.1688 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4166  215.2166  247.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9987  215.6040  248.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1387  216.6896  249.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7458  217.0349  250.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1982  216.2951  251.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0605  215.2208  251.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4637  214.8828  250.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9743  215.9147  243.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1691  215.2213  242.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1030  214.4645  241.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4629  216.2117  245.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0538  215.8317  246.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0247  216.6743  247.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
80.09203604,-153.01356836,83.95982692,-60.54431987,-99.13902170,-62.09885995
59.83477954,102.60471286,-59.82422228,118.46919650,120.81077045,195.09274293
214.28791772,247.06236654,1.41667260,1.12831851,1.80559900

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448099/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.88202

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.565517

>  <SCORE.INTRA>
-6.51798

>  <SCORE.INTRA.DIHEDRAL>
1.28934

>  <SCORE.INTRA.DIHEDRAL.0>
5.10294

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.16265

>  <SCORE.INTRA.VDW.0>
-0.0425109

>  <SCORE.INTRA.norm>
-0.224758

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.340759

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020847

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  208.4857  211.9389  242.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2131  211.1674  243.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2867  211.1814  242.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2297  210.4646  244.2269 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0576  209.6792  244.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1607  208.9467  245.8459 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.8814  208.1831  246.1986 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8060  209.2609  246.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7195  209.1869  245.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1852  210.5024  247.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4899  210.6980  247.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5016  209.8522  246.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0037  212.2135  248.0341 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.7624  212.2594  247.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2043  212.7900  246.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5430  212.6878  246.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4595  212.0474  246.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0373  211.5295  248.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6935  211.6312  248.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2326  211.5275  247.2041 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9466  211.1232  247.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6146  209.9988  247.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0783  212.3524  247.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3109  213.5106  248.8914 Br  0  0  0  0  0  0  0  0  0  0  0  0
  204.5713  207.1870  245.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5153  206.3871  245.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8676  206.4698  246.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2279  205.3971  244.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.93048600,-178.62086203,175.69267400,174.14099154,40.01555706,-161.03768129
87.21044413,14.16644429,-74.45214291,-0.79661327,204.85115294,210.82898555
246.64036505,-0.34786662,0.27040222,0.54209647

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448100/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.05599

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-8.34401

>  <SCORE.INTRA.DIHEDRAL>
-16.6316

>  <SCORE.INTRA.DIHEDRAL.0>
28.3904

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0282025

>  <SCORE.INTRA.VDW.0>
-2.24945

>  <SCORE.INTRA.norm>
-0.298

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.252

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007788

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  211.4598  208.6686  251.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9985  208.2878  250.7506 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.8416  206.7259  250.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4066  206.1924  250.4880 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.9576  206.6482  249.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7988  205.8057  248.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9232  204.3408  248.6156 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1344  203.9994  250.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3481  204.6733  250.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0294  203.8392  247.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4650  206.7957  251.4657 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5859  206.6170  252.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5143  206.0564  253.4254 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4536  207.2179  253.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2695  208.8968  251.6666 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.6093  207.2018  251.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2   4   1  15  -1
M  END
>  <CHROM.1>
-178.04376050,56.50803096,-58.79109221,208.28629940,206.33478842,250.74319132
-1.07179077,-0.70061453,-2.02816623

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448101/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.79493

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-0.605069

>  <SCORE.INTRA.DIHEDRAL>
-0.178931

>  <SCORE.INTRA.DIHEDRAL.0>
1.04144

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.515604

>  <SCORE.INTRA.VDW.0>
-0.42559

>  <SCORE.INTRA.norm>
-0.040338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.519662

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005252

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  222.4760  186.1509  252.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7508  185.9480  251.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9654  184.8636  250.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2835  184.5151  249.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3941  185.5986  248.5651 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.9554  186.7155  249.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7302  186.9422  250.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4964  187.9752  251.5788 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4840  188.7936  251.0656 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9460  186.1031  247.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9529  187.0387  246.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2610  186.8884  247.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2264  184.9479  246.2793 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3596  183.8967  246.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2648  183.7731  246.5993 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8648  182.8640  245.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9882  189.4694  250.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.0614  184.9953  245.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
171.89670650,-95.11531263,47.59354293,220.81703961,185.84142920,248.72245671
-1.43106182,1.04611966,-2.19339217

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448102/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87705

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-1.52295

>  <SCORE.INTRA.DIHEDRAL>
-1.95182

>  <SCORE.INTRA.DIHEDRAL.0>
3.70603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.547038

>  <SCORE.INTRA.VDW.0>
1.53581

>  <SCORE.INTRA.norm>
-0.0951843

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.367316

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000345

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  200.5643  209.5735  268.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1402  209.4607  268.5183 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6432  209.2565  267.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3306  209.1714  266.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1641  209.1557  267.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3515  208.9542  266.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9905  208.8506  266.2695 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8966  208.7773  264.6423 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.4966  209.2890  268.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9429  209.3995  269.8118 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4341  208.9329  267.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5237  208.7069  265.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  3  0  0  0  0
M  END
>  <CHROM.1>
0.00508090,-179.96732404,197.50629631,209.13609564,266.99361308,-0.82061484
-0.07272844,-1.70395253

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448103/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39998

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-1.52503e-05

>  <SCORE.INTRA.DIHEDRAL>
-3.56956e-05

>  <SCORE.INTRA.DIHEDRAL.0>
3.90938e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.59747e-06

>  <SCORE.INTRA.VDW.0>
1.70016

>  <SCORE.INTRA.norm>
-1.52503e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.739998

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008527

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  195.1906  210.0536  240.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9277  209.9369  239.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8691  209.3439  238.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0757  208.8754  239.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3373  208.9917  240.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3967  209.5816  241.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6736  209.6985  242.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5043  211.2414  243.1227 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.7616  212.3406  242.5367 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9388  211.2553  244.5054 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8485  211.1708  242.2782 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.5891  209.1683  237.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4919  209.5614  236.5252 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5022  208.5543  236.2839 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8805  210.0444  237.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3947  209.0249  236.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6065  207.5774  236.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
1.03243617,-90.65486396,51.74450953,-63.32560629,196.67502657,210.16087437
240.66014765,1.89414279,0.28990068,-2.00665440

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448104/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.04444

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-1.35556

>  <SCORE.INTRA.DIHEDRAL>
-3.28996

>  <SCORE.INTRA.DIHEDRAL.0>
4.59964

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.289421

>  <SCORE.INTRA.VDW.0>
-1.60367

>  <SCORE.INTRA.norm>
-0.0968257

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.574603

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.091493

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  202.3359  208.3294  253.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0767  209.0937  253.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5392  209.9249  254.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3260  209.9498  252.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2644  210.9937  252.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4816  211.7707  251.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7702  211.5109  249.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8161  210.4888  249.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6069  209.7058  251.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0140  212.3492  248.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9980  211.7961  247.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1229  210.4664  247.4647 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0169  209.9655  246.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8127  210.6990  245.1340 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7837  212.0502  245.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8787  212.6563  246.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6530  212.8771  244.1219 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5142  212.4610  242.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4776  213.5993  242.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5837  214.6547  242.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6655  214.2404  244.2093 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3389  213.6368  240.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2671  214.6800  239.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3265  212.3956  240.0063 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1965  212.4349  238.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4248  211.1647  242.4090 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1481  208.1988  246.1245 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.4259  207.7105  246.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4875  210.9137  241.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6252  210.4089  243.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-61.91251364,144.18007610,-18.32546526,89.20482054,1.73902142,-169.32439575
177.46382821,-179.69172211,201.58502404,211.26257752,246.52982222,1.38029040
1.53396662,2.04467687

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448105/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.083

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-2.31698

>  <SCORE.INTRA.DIHEDRAL>
-0.576481

>  <SCORE.INTRA.DIHEDRAL.0>
6.03406

>  <SCORE.INTRA.POLAR>
-0.45415

>  <SCORE.INTRA.POLAR.0>
-0.393452

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.484626

>  <SCORE.INTRA.VDW.0>
1.29991

>  <SCORE.INTRA.norm>
-0.0827492

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.395822

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 40  0  0  0  0  0  0  0  0999 V2000
  191.0178  210.3352  258.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9054  211.6624  258.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8654  212.5420  257.7338 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2279  213.2840  258.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7554  213.7768  259.6798 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8471  213.2586  260.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5537  212.1486  259.6575 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7306  211.6276  260.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3055  212.1563  261.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5754  211.7432  262.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2972  210.6897  261.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7545  210.0722  260.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5329  210.5564  259.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5348  210.3849  262.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6253  211.2525  261.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8635  211.3349  260.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2013  210.3418  259.5528 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7065  212.6123  259.6652 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4084  213.1459  259.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5708  212.8096  258.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3562  213.4841  258.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9652  214.4896  259.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7764  214.7774  260.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9810  214.1007  260.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3315  216.0984  261.2747 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.8964  216.2622  261.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0140  215.8853  262.5341 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9642  217.4216  260.6703 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.9152  211.4883  257.3295 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.2376  212.6727  263.3409 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.2619  213.9581  261.2398 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9327  213.5836  258.2848 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9042  211.5289  257.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4069  212.8242  258.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7873  214.7542  260.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4648  214.4076  261.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.5388  212.8731  257.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.4151  213.6519  259.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 32 38  1  0  0  0  0
M  END
>  <CHROM.1>
23.75247471,-83.83052905,175.91536915,-75.84171284,-58.23993304,-63.53366714
-75.90145284,-78.80661134,25.95586730,194.94601253,212.90088463,260.08565973
-3.09221836,-0.30721908,0.51788933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448114/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.57181

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-11.8282

>  <SCORE.INTRA.DIHEDRAL>
-0.758896

>  <SCORE.INTRA.DIHEDRAL.0>
9.68665

>  <SCORE.INTRA.POLAR>
-0.778338

>  <SCORE.INTRA.POLAR.0>
-0.221662

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.80239

>  <SCORE.INTRA.VDW.0>
-1.89794

>  <SCORE.INTRA.norm>
-0.35843

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0779337

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000357

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  218.9777  192.7002  256.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1541  191.4764  255.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8508  191.8686  254.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0220  190.6368  254.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7407  191.0073  253.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5141  190.6990  254.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2454  190.9948  253.5678 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.4611  189.7160  253.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4205  191.8500  254.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8847  193.1045  254.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8932  193.5908  254.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9664  193.9161  255.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2101  195.3032  255.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4461  196.1557  256.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4304  195.6312  257.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1815  194.2577  257.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9468  193.3935  256.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5995  191.7059  256.3514 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87243163,-179.78139570,-120.25652576,120.99713377,68.17812798,3.95868907
-166.68695456,212.55092375,192.54110358,255.22516891,-0.34410883,0.00976712
0.44921160

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448115/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.95611

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-4.44389

>  <SCORE.INTRA.DIHEDRAL>
-11.7511

>  <SCORE.INTRA.DIHEDRAL.0>
12.818

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.43167

>  <SCORE.INTRA.VDW.0>
-1.85713

>  <SCORE.INTRA.norm>
-0.246883

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.442006

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005188

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  202.1770  196.5287  248.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5104  196.5506  247.1268 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3828  195.9226  246.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1919  195.8777  247.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9587  196.8140  247.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0500  197.8098  248.3666 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2561  199.2008  247.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6877  199.6181  248.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5682  199.8016  247.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8854  200.2026  247.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3295  200.4311  248.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4596  200.2437  249.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1378  199.8349  249.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3024  199.5438  250.5464 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6664  198.2818  250.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1353  197.4476  249.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6536  196.1843  250.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6643  195.7601  251.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1652  196.5950  252.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6504  197.8469  252.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2229  196.0723  254.0839 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.6648  199.9389  251.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
103.59063190,-55.41180203,110.21106048,200.40686819,197.76443188,249.54243127
0.61364261,-1.03974161,-2.06889611

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448116/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.76481

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.63519

>  <SCORE.INTRA.DIHEDRAL>
2.75598

>  <SCORE.INTRA.DIHEDRAL.0>
1.89597

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.01318

>  <SCORE.INTRA.VDW.0>
0.115659

>  <SCORE.INTRA.norm>
-0.077866

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.322134

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000216

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  195.5989  226.2882  250.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6938  225.2129  249.4492 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4743  224.0232  248.8555 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2850  224.4230  247.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6169  224.8292  247.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4106  225.1150  246.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9196  224.9805  245.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5786  224.5855  245.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7737  224.3266  246.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7758  225.2204  244.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2825  225.0650  242.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0992  225.2558  241.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4295  225.6249  241.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9435  225.7984  243.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1279  225.5914  244.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3119  223.3911  249.8241 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7186  224.7437  250.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5149  224.9536  250.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3268  224.0250  251.5026 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5059  223.4760  252.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4972  222.4515  252.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4702  222.7450  253.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8158  224.5899  253.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7821  223.1777  250.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
-67.96243004,113.11237202,92.12645331,51.87571559,179.06687870,-178.19450074
63.14426806,196.23729612,224.60543938,247.98999261,-2.15091915,-0.01441678
-1.41292034

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448117/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19637

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-4.20363

>  <SCORE.INTRA.DIHEDRAL>
-0.972381

>  <SCORE.INTRA.DIHEDRAL.0>
3.01417

>  <SCORE.INTRA.POLAR>
-0.685891

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.38541

>  <SCORE.INTRA.VDW.0>
1.80053

>  <SCORE.INTRA.norm>
-0.182766

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.312886

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017144

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  221.7580  173.6226  239.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6556  174.2695  240.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4643  175.7642  240.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4466  176.5972  240.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3032  173.5467  240.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3502  172.1623  240.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9484  174.0623  241.8811 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1278  174.6328  242.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2599  175.9423  243.1601 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.4191  176.4595  244.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4781  175.7681  244.7050 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3451  174.4777  244.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3899  173.7982  245.0627 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2224  172.4930  244.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0252  171.8575  243.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0160  172.4939  243.1937 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1543  173.8233  243.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1538  171.8439  245.3987 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.5914  178.1730  244.5287 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.0945  178.9122  243.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8677  178.0632  244.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3717  177.8943  245.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2426  177.1132  245.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5821  176.4813  244.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0598  176.6361  243.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1977  177.4175  242.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7783  176.9681  246.8405 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.9796  178.5036  246.3783 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.3067  176.5369  241.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5251  172.1245  241.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.9337  174.2722  242.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3602  172.4804  245.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.3707  171.4449  246.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-80.39085080,62.74557847,176.08197233,-64.70176776,60.69644602,-77.55967821
110.82540124,38.09795130,44.21424994,66.55761137,218.32523839,175.48653030
243.48228432,-0.62585975,0.72247884,0.17475661

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448118/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.71157

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-11.6884

>  <SCORE.INTRA.DIHEDRAL>
-1.98471

>  <SCORE.INTRA.DIHEDRAL.0>
7.61785

>  <SCORE.INTRA.POLAR>
-1.9092

>  <SCORE.INTRA.POLAR.0>
-0.11568

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.2048

>  <SCORE.INTRA.VDW.0>
-0.857756

>  <SCORE.INTRA.norm>
-0.417444

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0611273

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000723

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  192.8876  211.4623  246.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6616  210.2735  246.0756 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9692  210.3080  245.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4092  209.0147  245.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3001  208.1565  245.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1070  206.7559  245.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8670  206.2177  246.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8188  207.0478  246.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9777  208.4347  246.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2243  208.9706  246.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7428  208.6457  245.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0290  207.3929  244.8525 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2997  207.0814  244.4417 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7196  205.7539  244.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0357  204.8121  244.8876 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1661  205.5368  244.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1087  205.9452  245.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0387  207.2268  245.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2337  207.4085  246.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0008  208.6787  247.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1861  208.8473  248.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9459  210.1172  248.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5185  211.2372  248.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3376  211.0869  247.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5867  209.8140  246.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3922  209.6410  245.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5994  208.3686  245.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9580  207.8205  244.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0721  205.7067  244.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-179.59869159,168.58169416,77.11178846,-53.89496354,90.48901448,197.34264984
208.27159876,246.02263248,-3.06512135,0.02471674,-2.65025673

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448119/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.43484

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-2.96516

>  <SCORE.INTRA.DIHEDRAL>
-0.266162

>  <SCORE.INTRA.DIHEDRAL.0>
2.33507

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.83208

>  <SCORE.INTRA.VDW.0>
-0.0216251

>  <SCORE.INTRA.norm>
-0.109821

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.275365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000185

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  218.7240  188.4396  247.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7030  188.7105  245.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7106  189.4269  246.0826 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9944  188.1398  244.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0732  186.9634  247.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0600  186.6139  248.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0196  187.4995  249.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9491  188.2384  249.8845 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9230  187.3590  250.3558 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7150  186.2078  247.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2414  186.2707  248.6936 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2492  185.6246  246.5028 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.6707  186.4060  246.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3270  188.3469  244.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2556  186.7214  249.9612 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.0976  186.6379  245.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  1  12  -1
M  END
>  <CHROM.1>
129.70246078,-177.25405326,-178.43238712,34.33805929,-82.56198601,-49.12510744
-112.70967400,-4.00554252,218.59495089,187.37423330,247.52332007,-2.48015178
0.90677832,2.50414532

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448120/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.39218

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-15.7922

>  <SCORE.INTRA.DIHEDRAL>
-6.76336

>  <SCORE.INTRA.DIHEDRAL.0>
12.0929

>  <SCORE.INTRA.POLAR>
-1.9411

>  <SCORE.INTRA.POLAR.0>
-0.0721283

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.81075

>  <SCORE.INTRA.VDW.0>
5.35143

>  <SCORE.INTRA.norm>
-1.21478

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
-0.414783

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018188

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  217.8235  188.8741  242.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5781  189.1262  243.2859 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.5753  190.6110  243.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6926  190.9936  244.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6560  192.4908  245.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1514  193.4083  244.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2320  193.3657  242.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5833  192.9545  241.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4386  193.0639  240.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4598  193.5331  241.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9641  193.7036  242.8590 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2722  188.7152  242.6230 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.0028  189.4599  241.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2902  187.2618  242.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1177  188.9301  243.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
-68.11190308,-60.86243734,177.12066641,-73.47372496,66.17216187,-119.18408170
216.42558303,191.03456685,242.87174523,-2.09346580,-0.90149544,-0.36636299

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448121/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4233

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-0.976663

>  <SCORE.INTRA.DIHEDRAL>
1.10667

>  <SCORE.INTRA.DIHEDRAL.0>
0.210513

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.53

>  <SCORE.INTRA.VDW.0>
6.14477

>  <SCORE.INTRA.norm>
-0.0651109

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.694889

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002502

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  200.8595  206.4701  244.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5339  207.5855  245.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6251  207.4504  246.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3544  206.1951  246.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4127  205.2356  245.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1348  204.0548  245.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7964  203.8253  247.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7315  204.7733  248.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0134  205.9565  247.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8389  208.9140  245.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4177  208.8234  245.8204 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7345  207.8031  245.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3840  206.4569  245.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6957  205.4015  245.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2867  204.1052  246.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6565  203.9751  246.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1906  202.7320  246.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3590  201.6164  246.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9953  201.7394  246.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4603  202.9809  246.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9791  209.7255  245.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
31.23124353,20.35658078,201.25103701,205.35108758,246.16001715,-2.22768385
0.22636291,2.97824636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448130/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.129259

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-20.755

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.84825

>  <SCORE.INTRA.VDW.0>
-2.59737

>  <SCORE.INTRA.norm>
-0.376463

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
-0.00646295

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.087348

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  197.0478  206.1669  241.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8297  206.6121  243.2211 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6372  207.2385  243.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7119  208.4920  244.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5596  209.2665  244.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5374  210.6069  244.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2979  211.2543  245.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1392  210.4894  244.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8673  210.9640  245.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6777  212.1870  245.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7599  212.9794  246.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0458  212.5214  245.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0955  212.7189  246.3061 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.1597  209.2926  244.3881 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3066  208.6978  244.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2457  207.4542  243.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3933  206.7121  243.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9028  211.2451  244.9520 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.7837  212.1270  245.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4267  210.6050  245.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6673  211.4782  243.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9945  212.4696  242.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7377  211.8192  242.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2221  210.3931  241.1640 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.5775  209.6488  240.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7534  208.3397  240.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1777  207.5424  239.8730 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 17  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-127.19167341,-171.24620582,64.06226822,-70.48411670,-63.64038339,169.30157609
-175.51545870,177.17092884,193.62737573,209.89518932,243.46240531,-0.96210565
-0.01780324,0.76861289

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448131/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.55713

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.536

>  <SCORE.INTRA>
-3.84287

>  <SCORE.INTRA.DIHEDRAL>
2.2968

>  <SCORE.INTRA.DIHEDRAL.0>
2.25329

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.99127

>  <SCORE.INTRA.VDW.0>
1.02951

>  <SCORE.INTRA.norm>
-0.153715

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.382285

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000233

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  218.2304  185.4310  248.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9774  184.7311  250.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0605  184.0344  249.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0385  183.4029  249.7026 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4271  184.8768  251.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1000  184.2283  252.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <CHROM.1>
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1.74804249

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448132/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-1.42757e-05

>  <SCORE.INTRA.DIHEDRAL>
-4.95745e-05

>  <SCORE.INTRA.DIHEDRAL.0>
5.02993e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.05116e-05

>  <SCORE.INTRA.VDW.0>
2.68127

>  <SCORE.INTRA.norm>
-2.37928e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.06666

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.103399

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  200.2119  207.6349  254.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3434  207.0448  253.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0806  205.9421  254.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2187  205.3353  253.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6714  204.6842  252.4396 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0418  203.3807  252.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2326  202.6143  251.3376 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.2728  201.0918  251.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5858  200.9576  252.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9833  199.9577  253.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2298  200.0650  253.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0715  201.1945  253.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6449  202.1773  252.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3931  202.0446  251.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6658  202.9922  251.0038 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6757  204.4699  251.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2693  201.4070  254.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1823  200.4559  254.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6131  199.1195  254.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1104  197.8359  254.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 16  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.55044088,-62.88109353,-76.34894471,20.90909930,34.47706727,203.94181038
202.53294959,253.12361136,-2.34807390,0.61962339,-2.70401753

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448133/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.64089

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-0.759112

>  <SCORE.INTRA.DIHEDRAL>
2.21679

>  <SCORE.INTRA.DIHEDRAL.0>
0.325871

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.86751

>  <SCORE.INTRA.VDW.0>
3.35652

>  <SCORE.INTRA.norm>
-0.0379556

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.482044

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000139

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  211.7617  184.9721  252.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6921  183.8918  253.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4699  182.5801  252.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4374  182.7531  251.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2097  184.0085  250.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0580  185.2569  251.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1987  184.1175  249.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3949  182.9933  248.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5933  181.7480  249.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6087  181.6236  250.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0073  180.3401  248.0655 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.5869  179.1787  248.8202 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5090  180.5937  246.7297 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6935  180.3305  248.0434 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3822  179.5829  249.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4295  180.4174  250.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3817  181.6120  250.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6594  182.8622  249.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5294  183.7796  250.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2633  182.7952  248.6665 O   0  5  0  0  0  0  0  0  0  0  0  0
  215.0162  181.3029  247.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1  20  -1
M  END
>  <CHROM.1>
-155.99098585,89.02456828,-80.11593806,-71.30641849,90.79920206,113.11657464
213.50005701,182.11084364,249.88342086,1.82060393,-0.22146353,0.83237924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448134/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.00486

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-5.39514

>  <SCORE.INTRA.DIHEDRAL>
3.09598

>  <SCORE.INTRA.DIHEDRAL.0>
3.91311

>  <SCORE.INTRA.POLAR>
-1.25

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.69313

>  <SCORE.INTRA.VDW.0>
-1.12251

>  <SCORE.INTRA.norm>
-0.269757

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.300243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  203.4535  204.3109  251.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1916  202.9548  250.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8819  202.4859  250.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8166  203.3689  251.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0968  204.7288  251.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4041  205.2004  251.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3803  202.9645  251.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5983  202.5208  252.2343 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6048  203.6487  253.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8238  203.4020  254.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1592  204.8744  252.9133 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0899  206.0733  253.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7707  206.5552  254.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7249  207.2686  253.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1814  208.4623  253.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9307  208.4973  253.4515 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1116  208.1032  252.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3961  208.4487  251.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9671  208.0832  249.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1360  207.3280  249.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7177  206.8118  250.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2588  207.2888  252.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1990  202.0828  251.8938 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1984  202.9100  251.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2915  204.1148  251.2501 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0471  202.2125  251.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9206  203.0305  250.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4899  204.0072  251.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0612  203.9576  253.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5952  204.7910  254.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5866  205.7152  254.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0753  205.8324  252.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5076  204.9727  251.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5991  204.8985  252.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1529  209.0431  253.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9256  201.1217  252.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
94.47073076,57.37216896,-134.43921613,-68.66177615,-102.18858712,-76.32018245
-129.49752358,177.00017321,-66.09249685,-7.18666539,196.68960604,205.01798184
252.14936781,-0.38617170,0.06693255,0.09241180

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448135/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10255

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-9.29745

>  <SCORE.INTRA.DIHEDRAL>
-2.79799

>  <SCORE.INTRA.DIHEDRAL.0>
9.36318

>  <SCORE.INTRA.POLAR>
-0.667894

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.62762

>  <SCORE.INTRA.VDW.0>
-1.77217

>  <SCORE.INTRA.norm>
-0.281741

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.184926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000752

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  222.0931  189.5411  245.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5738  189.5051  243.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4018  188.6703  243.6929 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7923  188.5542  242.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1911  189.0734  241.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5919  187.6839  242.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9339  187.4482  243.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9710  188.3146  244.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1210  189.7182  244.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1742  190.4007  246.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1431  189.7185  247.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1157  188.3317  247.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0623  187.6542  246.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0963  187.7532  248.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7902  186.5195  248.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2010  190.3548  243.7183 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3183  191.4696  243.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8811  187.2302  241.0293 P   0  0  0  0  0  0  0  0  0  0  0  0
  216.6662  186.3552  240.8461 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7035  188.6085  240.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6748  189.4732  240.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5683  190.7335  239.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1335  186.5293  240.2322 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5582  185.2838  240.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7199  184.6893  240.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
178.50121863,2.44225594,21.92336318,179.83484760,31.36948001,129.46499826
-145.38721933,-71.36281488,68.18696961,179.80037734,-179.57528260,218.63852801
188.31943862,243.33049678,-1.48699910,1.07943164,-1.82603420

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448136/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.94841

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.656

>  <SCORE.INTRA>
-6.45159

>  <SCORE.INTRA.DIHEDRAL>
-4.50206

>  <SCORE.INTRA.DIHEDRAL.0>
19.7531

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.20055

>  <SCORE.INTRA.VDW.0>
1.53639

>  <SCORE.INTRA.norm>
-0.258063

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.397937

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001290

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  192.9390  210.1761  258.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0275  210.6643  257.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0858  211.5695  258.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1683  212.1292  257.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0946  211.9048  256.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3182  213.1077  257.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1057  213.4778  257.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3921  214.4855  258.1024 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8066  215.1935  259.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9667  214.8654  259.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8759  213.7714  259.2304 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3038  212.7803  260.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6766  212.7340  260.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1439  211.9599  261.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2481  211.2079  262.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8915  211.2181  262.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4172  211.9948  261.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7235  211.9213  260.7566 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.4624  215.5252  261.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7347  216.0930  261.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8164  215.4872  261.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4212  216.1141  262.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9086  216.3246  259.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4045  212.9114  256.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1487  213.2851  255.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5462  212.7201  253.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5056  212.8686  252.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7810  212.1961  252.9639 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5794  214.8136  257.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6188  211.1882  252.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0769  212.3899  253.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
179.95094120,0.44930599,-159.73936451,-67.31413764,23.35540842,115.12568344
178.68448428,177.59096320,-167.78951499,59.12318630,72.82863630,189.50897412
213.11286762,258.77491239,-1.83210928,-0.79859106,1.21028939

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448137/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.77525

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.585714

>  <SCORE.INTRA>
-6.62475

>  <SCORE.INTRA.DIHEDRAL>
-5.89237

>  <SCORE.INTRA.DIHEDRAL.0>
14.138

>  <SCORE.INTRA.POLAR>
-0.826951

>  <SCORE.INTRA.POLAR.0>
-0.201641

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.866935

>  <SCORE.INTRA.VDW.0>
-1.73466

>  <SCORE.INTRA.norm>
-0.236598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.349116

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001349

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  182.9909  214.1717  256.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5066  213.6800  255.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.2983  214.6349  254.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2607  215.5285  253.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8663  216.4876  252.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5839  216.4707  252.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6483  215.5133  252.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0083  214.6151  253.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3597  215.4931  251.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9243  216.2678  250.9090 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.6512  215.8454  250.6108 N   0  0  0  0  0  0  0  0  0  0  0  0
  177.3811  214.8559  251.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4403  214.5500  252.2558 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.1629  214.0654  251.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.1566  213.0113  252.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.0596  212.1564  252.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.9476  212.3382  251.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.9292  213.3776  250.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.0283  214.2384  250.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.9085  215.4533  249.5079 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  184.5675  215.4074  254.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3751  214.5647  253.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8733  213.1438  253.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0112  212.7137  252.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4858  211.4189  252.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8119  210.5480  253.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6723  210.9636  254.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1965  212.2551  254.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
57.52791096,91.15398686,0.28490558,176.98969471,-60.31603019,92.99100240
180.10907164,214.15269514,252.47545028,0.17306429,0.28705749,2.86144981

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448138/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.57422

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-4.82578

>  <SCORE.INTRA.DIHEDRAL>
0.272852

>  <SCORE.INTRA.DIHEDRAL.0>
8.61175

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.9622

>  <SCORE.INTRA.VDW.0>
1.77796

>  <SCORE.INTRA.norm>
-0.172349

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.234794

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001313

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  222.0249  172.9299  244.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0731  173.1832  245.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7076  174.4035  246.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7499  174.6697  247.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3586  175.8946  248.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3894  176.1763  249.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9931  177.4060  250.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0409  177.6619  251.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6961  178.8828  252.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7506  179.1324  253.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4291  180.3641  254.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4791  180.6211  255.2956 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.1184  181.8448  256.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5736  179.4024  256.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6520  178.3913  256.9485 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.7493  180.8720  254.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.0168  180.0671  254.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
179.96002778,179.93313220,-179.91845488,179.76598364,-179.94408274,-179.93785168
179.86980733,179.79633491,179.83875403,-179.53963885,-63.64506634,224.86398576
177.60924511,251.43184321,2.56676547,1.19227395,-3.13614869

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448139/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.4564

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.9625

>  <SCORE.INTRA>
-0.943642

>  <SCORE.INTRA.DIHEDRAL>
0.0143582

>  <SCORE.INTRA.DIHEDRAL.0>
0.0726152

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.950821

>  <SCORE.INTRA.VDW.0>
0.090214

>  <SCORE.INTRA.norm>
-0.0589776

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.903522

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  212.8208  216.4882  246.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7753  215.8529  247.9036 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.5209  215.2073  247.2816 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.5907  214.8392  248.4874 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1095  216.1175  249.2790 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.2489  217.1050  249.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4322  216.9594  248.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5265  217.9596  248.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6277  218.9145  249.5789 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3568  217.5782  247.7927 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5517  218.2951  247.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7740  217.8101  248.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0215  218.2471  249.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1653  217.8335  250.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0753  216.9777  249.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8375  216.5287  248.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6922  216.9402  247.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4694  215.7540  250.5580 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0479  216.1044  250.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2501  215.5400  249.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7738  214.2226  249.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1247  213.6788  248.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9391  214.4460  247.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3966  215.7607  247.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0465  216.3050  248.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5188  213.9962  248.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7899  215.9733  246.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3968  217.3187  246.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7490  217.9694  245.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4711  217.2857  244.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8311  215.9458  243.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4804  215.2967  244.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9591  216.1842  251.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9999  214.4932  247.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  6  0  0  0
  4  5  1  0  0  0  0
  4 26  1  6  0  0  0
  5  6  1  0  0  0  0
  5 18  1  1  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 34  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-50.45192062,-61.42648163,-114.92635105,-99.31081226,-80.08052362,54.15057976
82.56868283,210.68914320,216.40950362,247.98393096,-0.06273566,-0.24158748
-1.47913049

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448140/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.63321

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-1.76679

>  <SCORE.INTRA.DIHEDRAL>
1.50801

>  <SCORE.INTRA.DIHEDRAL.0>
5.13916

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.52079

>  <SCORE.INTRA.VDW.0>
-3.44416

>  <SCORE.INTRA.norm>
-0.0552121

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.301038

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007461

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  215.2822  201.7101  249.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2567  202.3934  250.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2775  203.2084  249.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3127  203.8506  250.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3223  203.6702  251.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3057  202.8760  252.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2681  202.2393  251.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1683  204.5609  252.8608 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.0537  204.9453  252.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9647  203.7990  254.0732 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9721  206.0459  253.2576 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3973  207.0098  251.8952 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.6947  208.6686  252.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9748  209.5537  251.8753 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1466  210.8865  252.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7513  211.3671  253.2130 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2325  210.4179  254.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2618  210.4843  255.3277 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5942  209.2007  255.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7774  208.3168  254.7487 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7044  209.1269  253.5135 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.8798  206.3966  251.2945 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1164  206.1923  252.4922 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.8358  207.4465  252.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5248  205.6052  253.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2235  204.9988  251.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5623  205.1063  250.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4977  204.2282  249.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1112  203.2489  250.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7985  203.1809  252.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8619  204.0558  252.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0891  202.2788  250.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7567  205.7963  253.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.4338  206.9964  250.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2906  206.9113  250.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  1  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
22.32627484,60.13838564,161.68500966,-125.86249774,-50.10957272,-89.33887295
42.45281173,213.90270514,205.85564371,252.23882845,1.10813518,-0.15103127
-2.79547591

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448141/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.8266

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-6.5734

>  <SCORE.INTRA.DIHEDRAL>
0.131168

>  <SCORE.INTRA.DIHEDRAL.0>
8.79661

>  <SCORE.INTRA.POLAR>
-0.666355

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0081152

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.41395

>  <SCORE.INTRA.VDW.0>
-5.4924

>  <SCORE.INTRA.norm>
-0.205419

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.182081

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000358

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  209.5903  203.1951  241.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4008  202.6565  242.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0068  202.6220  243.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9878  202.0405  244.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8131  201.9089  246.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6217  202.3523  246.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6016  202.9136  245.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8289  203.0865  244.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3897  203.3676  246.5888 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8434  204.6403  246.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4350  205.4157  245.5500 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4654  204.9900  244.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7423  203.8650  243.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3349  203.7293  242.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8151  204.6219  241.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7726  205.5797  241.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1229  205.7773  243.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0282  206.9175  243.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3073  206.5604  244.3539 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.3620  206.1265  243.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4406  205.4879  244.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4391  205.2993  245.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3855  205.8061  246.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3275  206.4432  245.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7379  205.4483  248.0253 S   0  5  0  0  0  0  0  0  0  0  0  0
  206.6388  202.7047  246.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  19   1  25  -1
M  END
>  <CHROM.1>
179.98265569,123.72789116,59.26121746,60.19946653,67.20003467,79.96179856
208.47148680,204.47849453,244.72703024,-0.19989418,0.36749712,-1.67998495

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448142/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45207

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-4.94793

>  <SCORE.INTRA.DIHEDRAL>
1.27402

>  <SCORE.INTRA.DIHEDRAL.0>
5.69712

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.58494

>  <SCORE.INTRA.VDW.0>
-2.72348

>  <SCORE.INTRA.norm>
-0.197917

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.258083

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000343

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  206.2056  192.8408  248.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2386  194.3478  249.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9906  195.1080  247.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0143  196.6020  248.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7670  197.4167  246.9940 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7585  198.7454  247.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9481  199.2282  248.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5581  199.5478  246.0165 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.7318  201.0619  246.2625 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4007  201.6043  245.7068 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.2462  201.3047  246.6771 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.0420  199.7759  246.4842 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.1455  199.4579  245.4506 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1404  200.6570  244.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7272  199.4511  246.0251 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3882  198.0612  245.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2319  197.2784  247.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7481  197.1620  248.0931 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.1247  198.0268  244.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3816  198.7501  243.3645 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.8166  202.2984  246.2807 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.8782  201.7150  245.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7548  202.3600  246.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8447  201.4665  244.1775 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9256  202.0408  243.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8257  201.7141  241.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9374  200.2011  241.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8541  199.7980  240.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  6  0  0  0
 10 14  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  6  0  0  0
 12 13  1  0  0  0  0
 12 15  1  6  0  0  0
 13 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
178.72749955,-178.87350575,178.49007621,0.48402660,-172.32018114,-125.23320988
-177.87129436,71.10549761,-64.50462397,61.22574796,-178.82194895,179.67735087
-62.93959084,-179.67922729,204.39069671,199.22868248,245.82262194,-1.98400017
0.05157628,-0.67003699

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448143/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.72435

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.692857

>  <SCORE.INTRA>
-15.6757

>  <SCORE.INTRA.DIHEDRAL>
-29.4858

>  <SCORE.INTRA.DIHEDRAL.0>
31.8579

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.932739

>  <SCORE.INTRA.VDW.0>
-2.2446

>  <SCORE.INTRA.norm>
-0.559845

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.133012

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066225

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  213.3360  180.4014  246.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5122  179.1981  247.1972 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5438  178.0864  246.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4388  178.0406  245.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7153  176.9050  247.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7719  175.6794  246.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9030  174.4062  247.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1742  173.6325  247.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1843  172.7399  246.3689 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3448  174.0902  247.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8329  173.3689  247.6912 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.6580  174.0090  248.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6704  171.9344  247.6694 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3866  173.9390  246.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3361  174.8682  248.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
-0.02827029,179.85226817,-118.70868858,-94.23924772,-169.18893852,215.58229936
175.27482710,247.08728446,-2.23238955,0.25187784,-3.14027156

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448144/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1696

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-0.230369

>  <SCORE.INTRA.DIHEDRAL>
-0.1132

>  <SCORE.INTRA.DIHEDRAL.0>
2.58279

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.173769

>  <SCORE.INTRA.VDW.0>
0.648093

>  <SCORE.INTRA.norm>
-0.0164549

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.726402

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020206

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  199.4591  217.3509  255.2259 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9705  217.9606  255.5704 As  0  0  0  0  0  0  0  0  0  0  0  0
  197.3080  216.4574  255.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3273  217.9876  257.3755 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1166  216.3618  257.7227 As  0  0  0  0  0  0  0  0  0  0  0  0
  199.6413  216.8655  259.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7291  215.7483  258.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <CHROM.1>
-44.84823112,165.89121423,198.52595219,217.06400852,256.82634982,-1.92048909
0.49401074,2.20711223

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448145/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.88693

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.513069

>  <SCORE.INTRA.DIHEDRAL>
0.0157215

>  <SCORE.INTRA.DIHEDRAL.0>
0.455619

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.520929

>  <SCORE.INTRA.VDW.0>
-0.293435

>  <SCORE.INTRA.norm>
-0.0732955

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.983847

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  206.3738  197.5909  247.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9405  196.0761  247.9526 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.6905  196.0816  246.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3767  196.7205  247.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9250  195.7172  248.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9159  195.0759  248.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8939  195.5905  249.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1801  195.5915  249.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8546  194.5724  250.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8121  193.5751  249.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8194  194.2562  248.8147 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.2451  195.0820  247.6020 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.6307  195.5981  246.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8996  194.4067  246.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3550  193.2629  247.8685 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7309  193.1840  248.1626 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.8417  191.8169  248.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5793  191.4173  247.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0900  191.3426  247.6762 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.3352  190.1089  248.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6877  189.0505  248.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8752  191.1464  246.5176 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8332  194.3715  248.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4545  191.9182  246.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  1  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 22  1  0  0  0  0
 20 21  3  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-148.15780568,42.82908603,207.48297838,193.99990180,248.13487728,-2.61015511
-0.29620441,2.84212478

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448155/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.28316

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-0.116839

>  <SCORE.INTRA.DIHEDRAL>
-0.212505

>  <SCORE.INTRA.DIHEDRAL.0>
3.28749

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0105863

>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.00507995

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.273181

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001392

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 34  0  0  0  0  0  0  0  0999 V2000
  183.5127  207.6742  256.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4813  207.1484  257.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6870  207.8013  257.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6015  207.2364  258.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3973  206.0007  258.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1473  205.3926  258.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2075  205.9544  257.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4589  205.3577  259.6959 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7662  205.8571  259.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1905  206.9781  259.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6972  204.8076  260.4997 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.6996  203.6315  260.5923 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.3596  204.0741  260.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4000  203.2998  260.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2805  202.5800  259.6833 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.6393  202.3036  260.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8352  202.3661  261.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0964  202.7448  262.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2166  202.7717  261.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9880  202.7073  260.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6858  202.9374  259.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1288  204.3826  259.6427 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6694  204.1725  258.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1317  204.9824  257.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1905  205.3723  256.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8991  204.8312  256.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5790  203.7678  257.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5144  203.3644  258.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1350  209.0630  256.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  6  0  0  0
 11 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 28  1  6  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-0.41777612,188.59116107,204.85586656,259.01877833,-2.47823347,-0.21352969
2.20706496

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448156/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27619

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.22069

>  <SCORE.INTRA>
-0.123806

>  <SCORE.INTRA.DIHEDRAL>
-0.195515

>  <SCORE.INTRA.DIHEDRAL.0>
0.331895

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0260486

>  <SCORE.INTRA.VDW.0>
-0.747647

>  <SCORE.INTRA.norm>
-0.00426918

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.21642

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000483

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  194.1962  223.1649  257.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0676  224.6328  257.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9947  225.5413  257.5307 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3501  226.7580  257.6012 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0747  226.5131  257.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8365  225.1658  258.0046 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9011  227.7912  258.0414 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.4150  226.8830  257.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1703  226.0265  256.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0373  225.7934  255.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0180  224.5427  255.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7544  224.3284  253.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4858  225.3742  253.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5738  226.5985  254.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8451  226.8111  255.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1171  225.2934  252.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1376  224.2936  252.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1730  224.5637  253.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4157  223.6094  254.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3339  223.8710  255.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0198  225.0830  255.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8014  226.0323  254.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8822  225.7713  253.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1444  225.4138  256.4703 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.3544  226.9492  259.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6353  227.7172  260.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3222  226.2348  258.8732 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  1  27  -1
M  END
>  <CHROM.1>
163.90433581,-50.99274511,2.39044270,151.09360907,-61.90269330,-58.13675467
120.00254751,193.35949688,225.67873041,256.11652778,-0.59627257,-0.14180094
1.31764107

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448157/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.6045

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-9.7955

>  <SCORE.INTRA.DIHEDRAL>
-13.2692

>  <SCORE.INTRA.DIHEDRAL.0>
23.8394

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.16088

>  <SCORE.INTRA.VDW.0>
-1.10036

>  <SCORE.INTRA.norm>
-0.362796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0964628

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001000

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  185.4763  218.9584  263.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0478  218.7748  262.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2382  219.8621  261.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6381  220.1725  261.2846 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7861  220.8076  259.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2282  220.8868  259.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9908  222.0599  260.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3521  223.1773  259.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9545  224.2935  259.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2121  224.3096  261.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9005  223.2143  261.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2892  222.0740  261.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8628  220.9407  262.3510 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3048  220.8864  262.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5880  219.5946  262.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6342  219.4245  261.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2458  218.1850  261.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8111  217.0752  261.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7714  217.2114  262.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1619  218.4561  262.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7539  225.4204  261.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2943  225.4180  259.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0411  223.2537  257.5264 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.8788  226.0525  261.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4026  225.1350  258.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
116.51228273,157.28588392,-23.89351692,-0.75470647,2.27725375,189.76951538
221.27621109,260.93615802,1.91801859,-0.05416257,2.67060427

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448158/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.26445

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-1.13555

>  <SCORE.INTRA.DIHEDRAL>
1.05975

>  <SCORE.INTRA.DIHEDRAL.0>
0.908045

>  <SCORE.INTRA.POLAR>
0.0132521

>  <SCORE.INTRA.POLAR.0>
-0.342474

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71048

>  <SCORE.INTRA.VDW.0>
1.15282

>  <SCORE.INTRA.norm>
-0.0493716

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.315846

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003422

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  214.4990  187.1867  245.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2425  186.8252  243.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5418  186.8339  242.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3510  186.4464  241.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7550  185.1125  241.1551 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3093  185.0489  239.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0620  184.1883  239.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2628  182.8509  239.8953 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7640  184.0446  241.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5766  183.2793  242.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3037  182.6455  242.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3509  182.9008  240.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2579  182.1937  243.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
178.78841624,-58.33549648,164.95743886,-147.20558608,102.84903472,-57.45005881
65.21177540,59.48171570,-179.46494555,214.57531987,184.88109974,241.86809612
-0.49941507,1.34183607,2.92569958

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448159/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.89728

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.12727

>  <SCORE.INTRA>
-5.50272

>  <SCORE.INTRA.DIHEDRAL>
1.1615

>  <SCORE.INTRA.DIHEDRAL.0>
2.6701

>  <SCORE.INTRA.POLAR>
-0.814713

>  <SCORE.INTRA.POLAR.0>
-0.185287

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.31345

>  <SCORE.INTRA.VDW.0>
1.6264

>  <SCORE.INTRA.norm>
-0.500247

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.627025

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001281

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  197.6937  216.7641  253.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8851  216.2103  252.9232 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4859  215.2844  253.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1258  214.9783  254.8375 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6517  214.6924  253.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7479  214.1588  253.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8230  213.5604  253.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8490  213.4641  251.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7548  213.9933  250.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6675  214.6036  251.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7470  215.0105  250.6657 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2642  214.6930  249.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4602  214.0533  249.6421 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5669  214.9614  247.9532 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.4548  216.4551  247.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0712  216.4858  246.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7680  217.6169  245.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8495  218.7389  246.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2232  218.7259  247.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5152  217.5935  248.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8837  217.6451  249.5843 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9442  218.7554  250.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5797  219.8836  250.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2932  219.9288  248.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9198  220.9298  248.4190 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8817  214.2197  255.4568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.0126  213.6812  248.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3832  216.8209  249.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-4.30177124,153.16222428,98.92729012,130.06122698,200.70555990,216.12340026
250.66381625,1.63494945,-1.31178716,2.15161404

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448160/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.52323

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-1.87677

>  <SCORE.INTRA.DIHEDRAL>
-1.57168

>  <SCORE.INTRA.DIHEDRAL.0>
10.3663

>  <SCORE.INTRA.POLAR>
-0.519683

>  <SCORE.INTRA.POLAR.0>
-0.28189

>  <SCORE.INTRA.REPUL>
0.0702907

>  <SCORE.INTRA.REPUL.0>
0.0602587

>  <SCORE.INTRA.VDW>
0.32454

>  <SCORE.INTRA.VDW.0>
-0.524842

>  <SCORE.INTRA.norm>
-0.0721834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.289355

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  193.2278  220.0006  247.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6578  218.5284  246.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6285  218.3019  245.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9391  219.0524  245.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6407  218.6495  247.2901 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9773  219.4377  247.3879 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.4202  219.6062  248.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6414  219.2743  249.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3240  220.1230  249.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7586  221.5440  249.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7002  221.3095  250.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1415  219.1993  249.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7333  218.6898  248.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3606  218.1171  248.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7879  217.4297  249.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4097  219.0067  251.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1617  218.0804  252.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5111  216.7325  251.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6616  216.5782  250.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9657  215.3453  250.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1277  214.2520  250.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9817  214.3882  251.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6745  215.6219  251.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9699  218.7781  246.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4113  217.6658  246.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0637  217.8788  246.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-59.55255739,-76.51347237,-54.03541088,83.40027387,196.21498375,218.24917714
248.96711321,2.00962427,-0.49845421,-0.70034850

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448161/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.15583

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-3.24417

>  <SCORE.INTRA.DIHEDRAL>
-2.32068

>  <SCORE.INTRA.DIHEDRAL.0>
3.59142

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.08383

>  <SCORE.INTRA.VDW.0>
-1.18185

>  <SCORE.INTRA.norm>
-0.129767

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.206233

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004670

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  197.4817  211.3442  253.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0529  212.4109  252.9941 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.8742  211.9545  251.5253 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.1033  211.1449  251.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4689  211.7787  251.4723 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.4487  212.9752  252.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0580  213.5647  252.7327 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5258  214.2802  251.5023 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.7626  213.2421  250.7228 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9496  213.8435  250.2128 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1535  212.1919  250.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6544  211.1711  249.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5133  209.9818  249.7942 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3640  211.6961  248.2752 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3251  212.4042  247.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9153  213.6455  247.9634 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5213  212.6100  248.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3269  213.7061  249.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3685  214.5906  249.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6248  214.3888  249.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8443  213.2923  248.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8012  212.4044  248.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7194  212.9678  253.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4959  213.4627  248.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  6  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8 10  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-72.48251261,1.77280556,-64.23254682,72.05041575,-53.21414132,-61.80143410
199.86896707,212.66324108,250.41683237,-2.84635571,-0.50406042,-2.44641076

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448170/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.86372

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-6.53628

>  <SCORE.INTRA.DIHEDRAL>
-2.1975

>  <SCORE.INTRA.DIHEDRAL.0>
5.25821

>  <SCORE.INTRA.POLAR>
-1.53545

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.216989

>  <SCORE.INTRA.VDW.0>
-1.21045

>  <SCORE.INTRA.norm>
-0.284186

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.167988

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.424324

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  193.6321  228.0903  247.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0399  227.5590  248.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7842  226.4220  248.9967 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1209  225.8972  250.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7921  226.5338  251.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0403  227.7052  251.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6442  228.2209  250.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8575  224.7032  250.1325 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3477  223.9837  249.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3812  224.3802  247.4454 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.9295  222.7663  249.3877 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1360  222.1809  250.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8697  222.7398  251.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7581  220.8258  250.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7555  220.0538  249.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3465  218.7832  249.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9427  218.2915  250.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9343  219.0578  251.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3370  220.3160  251.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7419  218.3865  253.3438 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.1988  220.6193  248.3148 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4508  219.7861  247.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1701  224.3995  251.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2134  222.2500  248.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
2.73495785,-18.12347939,-142.47037149,197.05036922,222.30973271,250.41965849
3.12736355,-1.07672278,1.19432194

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448171/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.0987

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-4.3013

>  <SCORE.INTRA.DIHEDRAL>
-4.595

>  <SCORE.INTRA.DIHEDRAL.0>
7.58967

>  <SCORE.INTRA.POLAR>
-0.574784

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0495368

>  <SCORE.INTRA.VDW.0>
0.923254

>  <SCORE.INTRA.norm>
-0.195514

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.186305

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  206.5413  191.9348  237.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7536  192.5468  236.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4112  193.6196  237.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2569  194.8190  236.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2792  193.1950  238.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8492  194.1888  239.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6818  193.8425  240.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9473  192.5015  240.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3780  191.5062  239.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5452  191.8487  238.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-102.76155657,-178.03880450,209.09900012,193.01517174,238.37047981,2.93829857
-0.78482252,-0.22422044

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448172/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.48319

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.916807

>  <SCORE.INTRA.DIHEDRAL>
0.318367

>  <SCORE.INTRA.DIHEDRAL.0>
1.12205

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07599

>  <SCORE.INTRA.VDW.0>
1.42334

>  <SCORE.INTRA.norm>
-0.0916807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.648319

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038416

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 52 56  0  0  0  0  0  0  0  0999 V2000
  204.3377  191.2228  249.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1628  190.3912  248.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1579  189.4506  248.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1056  188.6070  247.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0672  188.7812  246.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0085  189.6882  246.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0732  190.5017  247.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9102  191.2026  247.9917 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9201  189.6942  245.4277 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0498  190.5553  245.6564 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0589  190.6424  244.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0876  189.8947  243.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1623  190.1366  242.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1764  191.1321  242.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1353  191.8430  243.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0665  191.6144  244.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2369  191.4480  241.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3017  190.7583  240.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4580  191.0768  239.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4946  192.0781  239.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3949  192.7536  240.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2507  192.4444  241.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7497  192.3903  238.1202 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9268  193.3127  238.2877 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2928  193.6715  237.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6073  193.0856  235.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0072  193.5162  234.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0759  194.5613  234.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7444  195.1530  235.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3543  194.7102  237.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4587  195.0569  233.5884 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3655  192.8762  233.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7294  193.3146  232.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2536  191.9709  233.3198 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.9392  187.8741  244.9954 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0962  187.6196  246.8037 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6096  186.5588  246.3496 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5697  185.5365  246.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1272  184.2983  245.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0120  183.2292  245.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3510  183.4002  245.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8121  184.6147  246.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9197  185.6764  246.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4864  181.9934  245.7749 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.0075  181.3455  244.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7843  182.6597  245.6850 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2323  181.2984  247.0334 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.1084  192.2080  248.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1924  191.1260  247.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6991  194.4229  232.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9760  187.7328  244.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4263  186.9900  245.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 51  1  0  0  0  0
 35 52  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 44  1  0  0  0  0
 42 43  2  0  0  0  0
 44 45  2  0  0  0  0
 44 46  2  0  0  0  0
 44 47  1  0  0  0  0
M  CHG  2  34  -1  47  -1
M  END
>  <CHROM.1>
141.29374816,148.51891013,-175.86493058,71.00128915,-3.77935998,-0.32056666
-178.60710839,-2.44176462,177.79932743,9.68603640,179.47664331,37.68962884
200.79275076,189.40665662,242.57320013,0.24638379,-0.73209758,1.05052197

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448173/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8769

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348936

>  <SCORE.INTRA>
-5.52313

>  <SCORE.INTRA.DIHEDRAL>
-8.83295

>  <SCORE.INTRA.DIHEDRAL.0>
13.588

>  <SCORE.INTRA.POLAR>
-0.73526

>  <SCORE.INTRA.POLAR.0>
-0.755807

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.39322

>  <SCORE.INTRA.VDW.0>
0.548742

>  <SCORE.INTRA.norm>
-0.117513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
47

>  <SCORE.norm>
0.231423

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001907

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  189.4841  218.3422  260.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5902  217.6034  259.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0562  216.1576  259.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1574  215.3691  258.1776 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.9243  214.0538  258.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7471  215.1038  257.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1316  216.3198  257.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8661  216.1625  256.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2660  215.0945  256.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3004  217.4865  256.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9359  218.3501  257.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.19847082,166.63091308,69.36404248,-178.40324197,-0.59591863,-73.86557234
188.39094941,216.37054908,257.98194089,0.12599872,-0.57525771,0.56530893

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448174/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.24037

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
-2.15963

>  <SCORE.INTRA.DIHEDRAL>
-0.530781

>  <SCORE.INTRA.DIHEDRAL.0>
2.96342

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.89424

>  <SCORE.INTRA.VDW.0>
2.2927

>  <SCORE.INTRA.norm>
-0.19633

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.840033

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030449

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  198.0025  213.3577  248.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4118  213.2439  249.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3989  212.7587  248.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8272  212.6252  248.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7448  212.1281  247.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4254  210.9684  247.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5170  210.6495  246.6508 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7550  210.2598  247.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0668  209.5905  245.7961 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6954  209.7797  244.8362 Si  0  0  0  0  0  0  0  0  0  0  0  0
  202.7454  211.3454  243.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4555  208.2920  243.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0319  209.8335  245.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7844  209.9822  245.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8879  208.6443  246.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.56035413,179.25125165,-117.69479087,126.84246245,60.48642353,51.47661629
-179.05451933,202.01842968,210.80179089,246.52473534,2.25083952,-0.12995736
0.90867224

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448175/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.88421

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.826667

>  <SCORE.INTRA>
-2.51579

>  <SCORE.INTRA.DIHEDRAL>
-1.61069

>  <SCORE.INTRA.DIHEDRAL.0>
1.85518

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71044

>  <SCORE.INTRA.VDW.0>
-0.986587

>  <SCORE.INTRA.norm>
-0.167719

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.658948

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013274

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  201.4220  194.4594  252.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8066  194.2897  252.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1951  195.4555  253.4394 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4241  195.3968  253.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2174  194.4726  253.9418 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7303  196.6972  254.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8538  196.8834  255.3425 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8339  198.1444  255.8422 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5628  198.8593  255.5689 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.7607  197.8479  254.7120 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3125  198.2320  253.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2164  198.3533  252.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7715  198.7106  250.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4204  198.9576  250.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5138  198.8610  251.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9559  198.5028  253.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6037  200.5557  254.9220 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.4900  200.5819  253.7704 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2246  200.9886  254.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3796  201.6589  256.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8585  201.3149  256.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3144  203.1007  255.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6193  201.5975  257.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6463  198.6526  255.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  6  0  0  0
 10 11  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
-178.99174549,-0.96973087,179.78941975,50.62218490,-44.97575579,65.82621038
204.16236627,198.55961775,254.15307825,2.08946486,0.87974056,-3.06501346

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448176/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.28891

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-3.11109

>  <SCORE.INTRA.DIHEDRAL>
-5.35418

>  <SCORE.INTRA.DIHEDRAL.0>
6.29919

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.434002

>  <SCORE.INTRA.VDW.0>
-3.39946

>  <SCORE.INTRA.norm>
-0.135265

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.360387

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  205.5603  185.6418  245.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7303  187.1554  245.6330 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9476  187.8745  246.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9688  189.3480  247.0714 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6448  189.9951  247.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8511  190.1055  245.8345 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.4215  190.6174  246.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5332  190.9953  244.9376 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8016  189.9058  246.2212 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5617  190.6904  246.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7770  187.4881  244.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4594  190.7059  244.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.9282  188.4477  244.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-172.86729823,-173.94750329,83.29010489,-77.72343539,-127.97532211,172.61315719
51.82394601,205.46658548,189.09791082,246.06003457,1.05277165,0.17345674
-2.96077259

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448177/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.57357

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-7.82643

>  <SCORE.INTRA.DIHEDRAL>
-0.961928

>  <SCORE.INTRA.DIHEDRAL.0>
3.60183

>  <SCORE.INTRA.POLAR>
-1.39387

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0020956

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.6168

>  <SCORE.INTRA.VDW.0>
1.42759

>  <SCORE.INTRA.norm>
-0.711494

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.233961

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025441

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  187.1887  209.5209  253.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1234  210.8334  253.9175 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4598  211.8811  253.2023 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.5790  213.1693  253.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0386  213.2303  255.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5475  212.2571  255.7201 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6717  211.0311  255.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2493  210.1260  255.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8737  214.5857  255.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2819  214.7994  256.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0685  216.0337  257.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4533  217.0663  256.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0668  216.8723  255.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2774  215.6371  254.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9871  211.6135  252.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4929  211.5453  251.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1342  211.3292  251.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2544  211.1724  252.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7327  211.2174  253.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0903  211.4363  254.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-119.66933453,178.52503573,186.01988114,212.71147204,254.48524343,-2.01386983
-0.54374594,0.40994192

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448178/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39668

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-0.00332441

>  <SCORE.INTRA.DIHEDRAL>
-0.00493938

>  <SCORE.INTRA.DIHEDRAL.0>
0.732462

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000854722

>  <SCORE.INTRA.VDW.0>
-1.27395

>  <SCORE.INTRA.norm>
-0.000166221

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.369834

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.077426

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  197.1773  206.4198  243.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9128  205.2052  243.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8761  204.3888  243.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1024  204.7719  244.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3598  205.9830  245.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4016  206.7996  244.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7004  208.3674  245.7585 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.1057  208.6596  245.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6585  209.2624  245.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4667  208.1918  247.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6547  209.1011  248.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4366  208.9445  249.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0315  207.8818  250.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8553  206.9866  249.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0787  207.1376  248.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1187  205.9819  247.4460 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.7853  207.6182  251.9442 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.4172  210.0996  250.3507 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.5406  202.9045  242.8685 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-28.75894708,-130.20611909,196.21098647,207.07656575,247.02235459,-0.34818299
1.48860604,-0.19228867

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448179/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.82265

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.577352

>  <SCORE.INTRA.DIHEDRAL>
-0.116804

>  <SCORE.INTRA.DIHEDRAL.0>
2.46641

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.51895

>  <SCORE.INTRA.VDW.0>
-1.85294

>  <SCORE.INTRA.norm>
-0.0303869

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.359087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000194

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  188.5821  207.6321  252.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3101  208.3336  253.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2024  209.4417  253.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0681  210.2932  254.3806 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.4926  211.1698  255.3769 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.8135  212.2673  254.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8368  213.2983  253.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3547  213.4359  252.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
179.62548913,-65.51747930,-61.43419632,-63.13034282,118.74706943,189.83832425
210.69488003,253.93021852,2.20015690,1.36952731,2.68356467

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448180/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.58647

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.3

>  <SCORE.INTRA>
-0.813527

>  <SCORE.INTRA.DIHEDRAL>
-0.953643

>  <SCORE.INTRA.DIHEDRAL.0>
1.03447

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.336706

>  <SCORE.INTRA.VDW.0>
-0.800514

>  <SCORE.INTRA.norm>
-0.101691

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.19831

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.116318

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  199.5283  215.1139  244.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3643  213.6262  244.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1176  213.0422  244.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9490  211.6582  244.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0309  210.8425  244.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2740  211.4239  243.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4423  212.8068  244.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7834  209.0412  244.1410 S   0  0  1  0  0  0  0  0  0  0  0  0
  199.2319  208.6773  242.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9552  208.6789  245.2659 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6927  208.7457  246.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7006  210.1646  247.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6513  210.7541  247.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8806  209.0409  245.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
124.84256972,82.28324776,-77.32720954,120.78576230,199.25026014,210.87355518
244.86056767,1.19769573,1.56792579,0.27201701

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448181/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.28433

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-1.11567

>  <SCORE.INTRA.DIHEDRAL>
-0.10764

>  <SCORE.INTRA.DIHEDRAL.0>
1.31556

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.06185

>  <SCORE.INTRA.VDW.0>
-1.21831

>  <SCORE.INTRA.norm>
-0.0858206

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.637256

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001538

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  191.3679  217.2345  241.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6458  217.3550  242.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8528  217.3288  243.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7571  217.1381  244.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0442  217.1447  246.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3529  217.3223  246.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4078  217.4906  245.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1561  217.4919  244.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6542  217.3443  247.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4579  216.9509  244.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2819  217.0511  242.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4059  216.6645  245.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1622  215.2594  245.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3341  214.5221  245.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4261  214.2977  247.0708 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2776  214.1482  244.9803 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8462  217.2111  248.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0101  213.6964  245.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
0.69911830,-92.72016504,62.34356305,95.43533950,178.88042571,191.68894997
216.47704062,245.03151131,3.07610636,0.53364305,1.94415257

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448182/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.47849

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-1.92151

>  <SCORE.INTRA.DIHEDRAL>
3.37125

>  <SCORE.INTRA.DIHEDRAL.0>
2.77011

>  <SCORE.INTRA.POLAR>
0.397691

>  <SCORE.INTRA.POLAR.0>
-0.397691

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.95929

>  <SCORE.INTRA.VDW.0>
3.27475

>  <SCORE.INTRA.norm>
-0.120094

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.404906

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007536

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  198.8770  208.4752  243.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1850  207.9989  243.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1231  206.6026  242.8189 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2573  206.0572  242.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2870  206.6907  242.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1224  204.6261  242.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0420  203.8631  242.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2246  202.2308  242.0111 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.7564  202.4602  241.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1278  203.8004  241.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3435  204.2670  240.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3066  205.4492  239.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4177  205.8664  239.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5710  205.0883  239.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6330  203.9223  239.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5386  203.5338  240.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4464  201.2463  240.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8874  204.2766  243.1192 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9012  203.4226  243.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9226  202.1946  243.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7415  204.0248  244.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7253  205.3685  244.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7202  206.0979  245.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6216  205.4034  245.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5985  206.0655  246.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7269  207.4357  246.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8626  208.1223  246.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8480  207.4642  245.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1030  209.9412  246.5022 Br  0  0  0  0  0  0  0  0  0  0  0  0
  194.5725  203.9982  245.4531 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6730  203.2670  244.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7232  202.0460  245.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8319  205.2671  243.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 31  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-179.04302984,-0.34375997,-9.94699637,-176.10915267,-38.27899681,6.33546097
198.70677863,205.56809603,243.50211084,-2.67923349,-0.52140528,-2.98034691

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448183/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.12239

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-7.27761

>  <SCORE.INTRA.DIHEDRAL>
-14.6235

>  <SCORE.INTRA.DIHEDRAL.0>
20.3202

>  <SCORE.INTRA.POLAR>
-0.0209323

>  <SCORE.INTRA.POLAR.0>
-0.467778

>  <SCORE.INTRA.REPUL>
-0.299417

>  <SCORE.INTRA.REPUL.0>
0.299417

>  <SCORE.INTRA.VDW>
1.60239

>  <SCORE.INTRA.VDW.0>
-1.29256

>  <SCORE.INTRA.norm>
-0.227425

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.128825

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000275

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 30  0  0  0  0  0  0  0  0999 V2000
  186.6004  216.9482  260.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6633  215.4085  260.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6251  214.6616  259.2870 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9923  214.9960  259.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2330  214.1942  259.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5180  214.9051  259.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6330  214.2030  259.2275 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.6256  216.1005  258.9037 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.5787  215.1708  260.8630 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.1955  212.9503  259.7342 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.1368  213.9536  257.8208 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.1594  216.2696  259.1416 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.0817  215.1506  260.9746 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.3323  213.2324  259.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2865  212.4001  260.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4414  210.9202  260.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6594  210.5857  259.8187 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.2249  210.1454  261.3926 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.5349  210.5202  259.3664 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.2511  212.8111  261.4907 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.0972  212.6069  261.2570 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.1278  213.1019  258.6912 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.1975  212.6593  258.4428 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.7472  214.9536  261.3761 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.4198  215.0045  259.6844 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.3052  217.5202  258.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0766  217.1984  258.3054 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.3869  218.8743  258.7613 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.1953  217.0778  257.8462 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.7241  217.4952  260.6842 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.5938  217.2911  261.0132 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
61.07204943,65.66133601,58.04486464,167.36836620,-58.60548188,172.54673792
176.05954205,-160.36259167,67.34039300,188.05856901,214.49119947,259.73507862
1.86363803,0.08731204,-0.15419994

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448184/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.67804

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-6.72196

>  <SCORE.INTRA.DIHEDRAL>
-6.94054

>  <SCORE.INTRA.DIHEDRAL.0>
9.18847

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.25169

>  <SCORE.INTRA.VDW.0>
0.631512

>  <SCORE.INTRA.norm>
-0.216837

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.247679

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043196

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  215.3546  192.4372  242.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0101  192.1946  242.9525 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6438  190.9595  243.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3703  190.5728  243.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8724  189.3023  243.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6735  189.1636  244.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9248  188.3222  244.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6627  187.0044  244.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4753  186.1960  244.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6661  184.9505  244.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8541  184.8632  245.2381 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5267  186.0655  245.0636 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5154  186.6117  243.1594 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5172  185.7122  242.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5028  185.1864  241.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5588  184.2338  241.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6308  183.7657  242.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6457  184.2648  243.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5767  185.2382  243.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3844  185.5791  245.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5851  186.9178  245.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2397  188.8999  244.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5699  190.1391  244.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3811  184.0135  245.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9465  186.4491  245.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 23  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-153.15680095,174.76539003,-111.00093155,35.66179970,211.35124483,187.37032350
243.71881275,0.73608840,-0.47602997,-0.41530097

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448185/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.05044

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-3.34956

>  <SCORE.INTRA.DIHEDRAL>
-3.44034

>  <SCORE.INTRA.DIHEDRAL.0>
10.6764

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.6294

>  <SCORE.INTRA.VDW.0>
1.85781

>  <SCORE.INTRA.norm>
-0.145633

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.263062

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000145

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 31  0  0  0  0  0  0  0  0999 V2000
  211.2625  202.7096  253.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1250  203.3639  253.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3955  204.3637  252.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3569  204.9984  251.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0178  204.6440  251.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7503  203.6403  252.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7935  203.0064  253.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8964  205.2978  250.8301 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.9753  204.3585  250.0975 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9244  205.3682  249.6430 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.9450  204.5349  248.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8714  204.9239  248.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5345  203.2913  248.7133 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9192  203.5087  248.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8287  203.2543  248.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9167  202.2350  249.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5770  201.0129  248.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1836  199.9276  249.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1177  200.0507  251.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4186  201.2596  251.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7948  202.3492  250.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6963  198.6946  252.0649 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.5374  205.8039  250.9689 N   0  0  1  0  0  0  0  0  0  0  0  0
  205.8089  205.8325  251.7164 N   0  0  2  0  0  0  0  0  0  0  0  0
  205.9379  207.1271  252.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4773  207.5606  252.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9415  207.1245  251.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  1  0  0  0
  8 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 27  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
124.71928558,131.75327705,205.59616781,203.46682620,250.92972210,-0.57064081
0.43253974,2.92742711

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448194/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49698

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.274074

>  <SCORE.INTRA>
-0.903015

>  <SCORE.INTRA.DIHEDRAL>
0.121407

>  <SCORE.INTRA.DIHEDRAL.0>
1.11924

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.963719

>  <SCORE.INTRA.VDW.0>
-1.14413

>  <SCORE.INTRA.norm>
-0.033445

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.240629

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  197.6387  220.4989  263.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8568  220.3634  265.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6285  219.0893  265.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9417  218.9082  266.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4615  220.0489  267.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6597  221.3226  267.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3578  221.4801  265.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7264  220.0043  268.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7158  217.6117  267.4658 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0395  216.4033  266.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6570  216.2349  265.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6339  215.1933  267.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1624  214.8944  267.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2976  216.0553  267.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7665  216.0738  268.9879 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1766  217.0648  266.9337 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3999  218.1302  267.2519 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3233  219.1147  266.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4283  220.2534  266.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8690  220.4100  268.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9851  221.4679  268.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6581  222.3406  267.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2174  222.1802  265.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1153  221.1464  265.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7246  223.3577  264.5728 Br  0  0  0  0  0  0  0  0  0  0  0  0
  189.3457  221.7817  269.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0869  221.7349  270.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1836  219.5317  269.0321 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3269  217.5734  268.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.5684  216.9763  266.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6911  218.7763  268.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
-4.30336919,81.48751840,-60.39857533,-96.85273794,176.57312834,12.38369672
-9.04519736,43.87527537,192.84456241,219.92174832,266.79644100,-0.64495615
0.43278944,-0.66276969

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448195/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.29448

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-4.10552

>  <SCORE.INTRA.DIHEDRAL>
1.26322

>  <SCORE.INTRA.DIHEDRAL.0>
5.25706

>  <SCORE.INTRA.POLAR>
-0.0250344

>  <SCORE.INTRA.POLAR.0>
-0.879997

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.65201

>  <SCORE.INTRA.VDW.0>
2.29711

>  <SCORE.INTRA.norm>
-0.146626

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.296232

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  189.2762  220.7326  242.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9015  219.3224  243.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1462  218.4444  243.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8394  217.1094  243.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9312  216.2742  243.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1901  216.6413  243.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2353  215.7235  244.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0377  214.4111  243.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7994  214.0470  243.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7477  214.9731  243.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9909  213.4300  243.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6007  213.3190  245.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5604  212.9339  246.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0373  213.9072  246.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2749  211.7048  246.1266 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1  15  -1
M  END
>  <CHROM.1>
179.93713374,-179.83653657,40.98545465,50.45935311,62.60608563,-93.96321747
191.89653382,215.53255021,244.09539202,2.86862141,0.98911755,-1.62344559

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448196/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.65199

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-1.74801

>  <SCORE.INTRA.DIHEDRAL>
2.69163

>  <SCORE.INTRA.DIHEDRAL.0>
3.50071

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.09383

>  <SCORE.INTRA.VDW.0>
3.34231

>  <SCORE.INTRA.norm>
-0.116534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.643466

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000699

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  211.7403  188.6990  244.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1041  188.6223  243.4088 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7402  188.4904  243.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1023  188.3943  242.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7913  188.4224  240.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2120  188.3065  239.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1720  188.5840  241.0168 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8656  188.6742  242.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0943  188.7921  242.2679 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9854  188.6438  239.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7780  188.2696  242.4290 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6870  188.3096  243.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8701  188.4411  244.3617 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6566  188.1606  241.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2252  186.7255  241.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5503  185.7553  240.5481 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
95.78932278,-58.99724945,209.45206563,187.98862132,241.93063825,0.36496010
0.30445943,1.31065599

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448197/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.91145

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.488548

>  <SCORE.INTRA.DIHEDRAL>
-0.222945

>  <SCORE.INTRA.DIHEDRAL.0>
2.48799

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.377076

>  <SCORE.INTRA.VDW.0>
-1.02409

>  <SCORE.INTRA.norm>
-0.0305343

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.431966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013621

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  200.2298  210.3144  243.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6686  209.9876  242.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5445  208.6547  241.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4048  208.0986  241.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3010  208.1367  242.2713 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5505  208.9491  243.1851 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.0884  208.9664  242.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1197  208.8396  243.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7869  208.8590  243.6023 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3948  209.0086  242.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2709  209.1380  241.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6347  209.1129  241.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0604  207.1925  241.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-107.14092047,198.91061747,208.98800652,242.48183778,-0.09681988,0.02564153
1.10480966

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448198/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36751

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0324901

>  <SCORE.INTRA.DIHEDRAL>
0.00128445

>  <SCORE.INTRA.DIHEDRAL.0>
0.72046

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0331324

>  <SCORE.INTRA.VDW.0>
-0.579283

>  <SCORE.INTRA.norm>
-0.00270751

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.530626

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001401

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  198.8789  218.9208  243.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4773  218.7210  241.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4131  218.7631  240.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7536  219.0222  241.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1502  219.2350  242.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2182  219.1655  243.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6894  219.3638  244.8899 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9463  219.2786  246.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7646  218.9172  246.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6965  219.6358  247.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6145  219.5739  248.8033 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.0186  218.4606  247.6015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.3492  221.2867  247.2196 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.9752  219.0819  239.9803 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.8500  218.4906  239.2954 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.6897  219.5177  244.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
3.78530984,176.90343304,200.38868064,219.26096547,244.27221982,1.65212955
-0.17869490,-1.67130263

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448199/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.46507

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-1.93493

>  <SCORE.INTRA.DIHEDRAL>
-0.431833

>  <SCORE.INTRA.DIHEDRAL.0>
1.18386

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71901

>  <SCORE.INTRA.VDW.0>
0.572057

>  <SCORE.INTRA.norm>
-0.128995

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.364338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000132

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  212.7392  180.7334  245.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2387  181.3170  244.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1645  182.7080  244.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6031  183.4871  245.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1280  182.8938  246.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1867  181.5166  246.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6441  183.7537  247.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3302  183.0068  248.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6918  185.4620  247.3925 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.5466  184.8381  245.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2002  185.2794  244.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  1   9  -1
M  END
>  <CHROM.1>
0.70669818,-178.51685437,213.05138709,183.07511651,246.04512855,-2.49391308
-1.13552133,0.03120492

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448200/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.50966

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-2.89034

>  <SCORE.INTRA.DIHEDRAL>
-6.31289

>  <SCORE.INTRA.DIHEDRAL.0>
6.3307

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.266112

>  <SCORE.INTRA.VDW.0>
-0.58493

>  <SCORE.INTRA.norm>
-0.289034

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.350966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023142

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  189.4455  209.5824  245.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6872  208.9326  245.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6597  208.3312  246.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2895  209.2395  247.1585 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7054  209.5722  246.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6444  208.8661  247.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4707  209.4006  249.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3443  209.8325  250.2912 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6796  209.7277  248.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3887  210.9325  248.6611 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6594  212.0789  247.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6975  213.3061  248.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0970  214.4950  247.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5254  214.4335  246.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3710  213.2336  245.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8978  212.0857  246.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2472  215.5629  245.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0688  215.7887  248.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3568  208.5136  249.5494 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.8929  207.4856  248.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-62.25857119,-104.33703919,-106.80641761,-67.86762309,1.35493166,-159.58630311
192.20180843,211.04575305,247.64789324,1.63209373,0.96326816,2.95422600

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448211/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.8578

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.5422

>  <SCORE.INTRA.DIHEDRAL>
-1.49267

>  <SCORE.INTRA.DIHEDRAL.0>
7.28352

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.795863

>  <SCORE.INTRA.VDW.0>
-2.21178

>  <SCORE.INTRA.norm>
-0.0811682

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.518832

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  197.1352  206.5544  255.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8824  207.1346  254.9257 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2256  207.8167  255.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3569  209.2099  256.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7897  209.9231  257.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9820  209.2498  257.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7610  207.8672  257.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3904  207.1263  256.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1173  205.7860  256.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6882  205.1528  255.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9280  207.4202  258.8508 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2570  206.2394  259.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1066  211.3723  257.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7943  211.9518  256.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5210  211.9179  258.2940 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6734  213.3032  258.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2761  214.2134  257.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5676  215.5749  257.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2699  216.0343  258.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6669  215.1060  259.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3776  213.7523  259.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5088  217.5075  258.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7988  218.1373  260.5450 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.4593  218.3329  257.8674 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8656  217.9114  256.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7097  218.9990  255.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0429  220.2710  255.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7850  220.6924  257.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8836  219.6888  257.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6787  213.9315  256.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4695  213.1882  256.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
96.77272636,2.82608249,-134.00303059,-50.30793014,-176.60199999,55.62311119
56.18112255,156.63075422,194.92953896,212.79770512,257.49123226,-1.88235335
1.24433077,0.39351142

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448212/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.5457

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-4.8543

>  <SCORE.INTRA.DIHEDRAL>
6.09743

>  <SCORE.INTRA.DIHEDRAL.0>
12.3903

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.90301

>  <SCORE.INTRA.VDW.0>
7.90573

>  <SCORE.INTRA.norm>
-0.15659

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.275668

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000331

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  183.5805  214.7735  256.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8637  214.9338  257.8961 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5800  213.9203  258.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6326  214.3073  259.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4352  213.3507  259.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2042  211.9732  259.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1111  211.6141  258.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3068  212.5647  258.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0394  210.9970  260.3570 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1087  211.3682  261.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4126  211.7878  260.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2147  210.8985  259.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3741  211.3424  259.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7631  212.6755  259.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0140  213.5570  260.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8513  213.1143  260.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7532  209.6225  260.1802 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7076  209.3973  259.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.8444  209.3956  260.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
134.35366878,7.99143968,-84.62787124,56.65503260,-66.64714593,187.28614914
212.51685232,259.45731967,-2.73872770,0.17645337,2.71977671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448213/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.29444

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-1.10556

>  <SCORE.INTRA.DIHEDRAL>
-0.736521

>  <SCORE.INTRA.DIHEDRAL.0>
6.75294

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.737299

>  <SCORE.INTRA.VDW.0>
0.727135

>  <SCORE.INTRA.norm>
-0.0650329

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.546732

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013766

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 44 46  0  0  0  0  0  0  0  0999 V2000
  196.2386  195.0411  239.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9393  195.7993  240.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9979  195.3744  241.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6294  196.1072  242.4821 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2232  197.3240  242.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7246  198.0357  243.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2233  197.7195  240.9107 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5880  197.0888  239.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5478  197.5767  238.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6404  195.6495  243.8505 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2865  195.7129  244.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4627  194.6865  245.6388 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3415  193.6262  244.9656 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.1025  194.3006  243.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3117  192.9555  245.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6075  192.2533  246.9495 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6443  191.9792  248.3069 P   0  0  1  0  0  0  0  0  0  0  0  0
  198.2933  193.3991  248.7564 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5528  190.8950  248.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6812  191.7051  249.6643 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2738  190.0805  249.6187 P   0  0  1  0  0  0  0  0  0  0  0  0
  201.5004  190.4776  250.4556 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1387  189.7770  250.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8664  188.4558  249.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3911  187.6412  248.4869 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.0083  186.2335  248.5128 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.3983  185.4124  249.6654 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8604  185.4250  249.6071 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3667  186.8667  249.5684 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9551  187.5018  248.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8382  186.9623  249.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3904  188.2721  249.8033 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4456  184.7146  248.4225 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8479  184.0530  249.5973 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4348  186.2984  248.5865 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0850  195.2787  246.7814 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6416  198.6122  240.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8023  190.5035  249.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4727  189.0446  251.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8276  188.9087  249.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7824  185.2085  247.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4526  183.6025  250.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.6534  186.8216  249.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1477  194.6300  247.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  1  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  1  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 39  1  0  0  0  0
 25 24  1  1  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  1  0  0  0
 27 28  1  0  0  0  0
 27 34  1  6  0  0  0
 28 29  1  0  0  0  0
 28 33  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 40  1  0  0  0  0
 33 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 43  1  0  0  0  0
 36 44  1  0  0  0  0
M  END
>  <CHROM.1>
-69.93941180,176.54124884,62.36224572,-160.01461188,83.07521806,-177.85619141
178.90707725,155.69575486,-150.08612414,-95.69388770,178.25815675,56.50803193
177.92397777,-63.40966035,162.64270384,59.34597959,198.58949243,191.54541096
246.60084291,3.11093421,-1.38524351,0.84885103

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448214/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.6945

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-21.0945

>  <SCORE.INTRA.DIHEDRAL>
-5.4845

>  <SCORE.INTRA.DIHEDRAL.0>
16.6581

>  <SCORE.INTRA.POLAR>
-2.72866

>  <SCORE.INTRA.POLAR.0>
-0.243614

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.0748

>  <SCORE.INTRA.VDW.0>
4.61755

>  <SCORE.INTRA.norm>
-0.585958

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
-0.185958

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001914

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 29  0  0  0  0  0  0  0  0999 V2000
  181.2641  190.4432  258.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8241  191.0650  259.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.7190  190.4138  260.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8503  190.4656  261.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6207  190.5931  263.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6247  191.0869  263.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3781  191.4768  265.1961 N   0  3  0  0  0  0  0  0  0  0  0  0
  182.1338  191.4318  265.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1002  190.8326  264.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3304  190.4330  263.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2724  190.0491  262.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4664  190.0660  261.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9209  192.0640  266.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6586  192.5169  267.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5005  192.9656  268.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5517  193.0386  269.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8346  192.7005  269.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0242  192.2181  267.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3913  191.7986  267.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5204  192.0816  265.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1579  193.4585  270.7819 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.7258  193.5258  270.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3200  193.3381  269.2282 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0965  190.7572  261.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6498  189.8246  260.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
139.69849173,-63.71089680,182.04651142,191.55941248,265.04503219,1.43632419
0.05684178,-1.85415137

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448215/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19324

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.296

>  <SCORE.INTRA>
-1.20676

>  <SCORE.INTRA.DIHEDRAL>
1.0342

>  <SCORE.INTRA.DIHEDRAL.0>
4.83762

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.72386

>  <SCORE.INTRA.VDW.0>
2.27648

>  <SCORE.INTRA.norm>
-0.0482705

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.247729

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000478

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  195.3733  207.3859  250.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6694  206.0369  250.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7736  205.2798  248.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1397  205.2687  251.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8337  205.8184  252.8514 P   0  0  1  0  0  0  0  0  0  0  0  0
  193.3454  205.4765  252.7273 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6875  204.2649  253.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4589  206.4918  254.8263 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.5216  208.0401  254.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3217  209.0672  253.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5916  210.4173  253.6968 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.2929  210.2327  252.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3009  211.0947  255.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5153  211.3283  252.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  1  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CHROM.1>
65.21514936,71.53412987,178.17438931,-58.35939405,178.18050657,-61.40543623
194.32586343,207.36619117,252.83001537,0.08376949,1.33073655,-1.15080300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448216/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.80645

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.814286

>  <SCORE.INTRA>
-3.59355

>  <SCORE.INTRA.DIHEDRAL>
-2.42087

>  <SCORE.INTRA.DIHEDRAL.0>
2.81249

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.38311

>  <SCORE.INTRA.VDW.0>
2.51188

>  <SCORE.INTRA.norm>
-0.256682

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.557604

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041788

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  208.1710  202.2133  242.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1086  201.9812  241.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1308  202.9656  240.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9687  202.8547  239.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8059  201.7527  239.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7963  200.7580  240.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9532  200.8714  241.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0043  199.8578  242.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6002  199.6458  240.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6828  201.6549  238.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4243  200.6851  237.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6559  202.7289  237.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4785  202.6498  235.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4497  203.6680  234.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6039  204.7643  235.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7845  204.8450  236.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8128  203.8254  237.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9404  203.9269  238.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1992  204.8916  238.5575 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6388  199.1790  242.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1296  199.6997  239.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
0.04495193,-179.91711890,210.65930598,202.37514481,238.88405473,2.01082419
-0.80803850,2.36577509

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448217/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.16747

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284211

>  <SCORE.INTRA>
-1.23253

>  <SCORE.INTRA.DIHEDRAL>
-0.00152315

>  <SCORE.INTRA.DIHEDRAL.0>
0.00153309

>  <SCORE.INTRA.POLAR>
-0.242886

>  <SCORE.INTRA.POLAR.0>
-0.00220999

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.405954

>  <SCORE.INTRA.VDW.0>
0.892419

>  <SCORE.INTRA.norm>
-0.0648698

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.219341

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005842

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 27  0  0  0  0  0  0  0  0999 V2000
  208.1493  208.1526  249.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8245  207.9012  251.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7618  207.0014  251.8796 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0204  207.6469  252.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2469  206.7423  252.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1264  206.2963  253.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2391  205.1007  252.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9885  203.9972  251.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0411  202.8483  251.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7683  201.7304  250.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8124  200.5926  250.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5343  199.4707  249.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6172  198.4149  249.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1658  197.3654  248.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3364  197.2584  248.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1438  196.3237  248.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5670  195.1920  247.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6625  194.1823  247.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2993  194.3177  247.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8616  195.4662  248.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8025  196.4497  248.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5275  195.5850  248.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1354  196.0644  250.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4823  193.3143  247.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7399  192.5682  248.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0361  193.0416  246.7419 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9360  192.1760  247.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
79.34982327,-152.06074563,78.18225785,60.05099499,-179.77090304,-179.76019566
-179.83347985,-179.76582617,-179.81321709,-179.98043069,0.00476401,178.97445984
65.27339802,121.63714029,138.45222526,206.51269178,199.46853605,249.67217756
1.26252959,0.18265140,0.36166507

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448218/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.9644

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.755556

>  <SCORE.INTRA>
-5.43556

>  <SCORE.INTRA.DIHEDRAL>
7.46158

>  <SCORE.INTRA.DIHEDRAL.0>
4.65655

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.16635

>  <SCORE.INTRA.VDW.0>
10.3922

>  <SCORE.INTRA.norm>
-0.201317

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.554238

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  194.4291  214.1883  260.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1937  214.7739  259.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0105  214.4867  258.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0558  213.6592  259.2239 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3059  213.1005  260.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4610  213.3344  261.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6125  212.7218  262.3717 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0897  215.6212  258.8282 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4639  212.9810  262.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8595  215.7224  259.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-0.01871982,-0.13512866,193.57557584,213.99820623,260.13494183,-1.92021098
-0.45873629,-1.04484624

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448219/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39985

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.675

>  <SCORE.INTRA>
-0.000150069

>  <SCORE.INTRA.DIHEDRAL>
-0.000397945

>  <SCORE.INTRA.DIHEDRAL.0>
0.00041797

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
4.89035e-05

>  <SCORE.INTRA.VDW.0>
0.537889

>  <SCORE.INTRA.norm>
-1.87586e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.674981

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004383

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  182.7602  217.9423  269.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7179  218.8374  270.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8027  218.9271  271.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9297  218.1353  271.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9700  217.2394  270.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8894  217.1392  269.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9044  216.1316  268.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5464  216.6508  266.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6628  216.2525  266.5719 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7708  217.5796  266.2357 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2176  218.1590  265.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3136  217.9016  264.4247 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4576  218.7720  263.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4148  219.6707  263.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2235  219.3812  264.4358 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.6336  218.6714  262.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8375  219.5079  261.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9549  219.3373  260.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8841  218.3237  260.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7151  217.5026  261.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5969  217.6836  262.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0239  218.1129  259.9463 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.1298  218.8615  258.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8093  217.1931  260.2163 O   0  5  0  0  0  0  0  0  0  0  0  0
  183.7382  220.0201  272.7812 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  182.9342  217.9590  266.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
>  <CHROM.1>
95.07010605,106.41924085,4.18415325,179.14423461,185.61530246,218.30713472
265.61985906,2.05348063,-0.30364305,1.70265152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448220/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.83991

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-0.560087

>  <SCORE.INTRA.DIHEDRAL>
-0.763777

>  <SCORE.INTRA.DIHEDRAL.0>
3.09519

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.178198

>  <SCORE.INTRA.VDW.0>
-1.45584

>  <SCORE.INTRA.norm>
-0.0224035

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.353597

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000124

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  204.3243  197.1906  246.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3766  198.2956  246.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7643  198.7673  248.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5479  197.7247  246.2122 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0312  198.1780  245.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5625  199.2485  244.4093 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1020  197.6404  244.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0755  196.8150  243.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2560  195.4320  243.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2184  194.5637  242.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9826  195.0679  241.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7932  196.4378  240.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8353  197.2981  242.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9023  194.0578  239.6865 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.4723  192.8799  242.6651 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.2492  199.6630  243.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7107  199.0522  243.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.9479  198.1836  244.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <CHROM.1>
120.15758109,158.11186584,101.61937211,-101.46875286,207.34701694,196.13909325
243.45587907,2.95031212,1.25190774,-0.44440466

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448221/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.86607

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-1.53393

>  <SCORE.INTRA.DIHEDRAL>
-1.11603

>  <SCORE.INTRA.DIHEDRAL.0>
2.569

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.975915

>  <SCORE.INTRA.VDW.0>
-0.87

>  <SCORE.INTRA.norm>
-0.102262

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.524405

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000348

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  213.2913  178.5095  247.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2283  177.6985  247.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2746  176.2473  247.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6524  178.2729  247.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7761  179.8653  248.8450 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.1669  179.4110  250.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0354  178.6782  251.1755 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6603  178.2661  252.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4932  178.4974  252.9813 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6492  179.2167  252.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8718  179.7081  250.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6661  180.4085  250.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6697  180.3835  251.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1147  179.5853  252.8445 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.3648  181.0738  249.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3909  181.6096  248.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1017  182.2554  247.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7891  182.3188  246.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7591  181.8110  247.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0458  181.2520  248.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5122  182.8962  245.5349 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
69.25773783,59.11882979,74.15073213,-26.32489059,213.50167521,179.88413616
249.46487719,-2.09813970,-0.72317970,1.75137758

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448222/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71693

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-1.68307

>  <SCORE.INTRA.DIHEDRAL>
-2.72322

>  <SCORE.INTRA.DIHEDRAL.0>
7.0909

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.321466

>  <SCORE.INTRA.VDW.0>
-1.78708

>  <SCORE.INTRA.norm>
-0.0801464

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.367473

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000488

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  208.7570  182.9709  249.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2785  182.0200  248.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4064  182.3098  247.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0409  183.5567  247.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5380  184.5358  248.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3682  184.2271  249.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4844  185.3592  250.1981 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.2041  185.7872  248.6572 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1594  186.3441  247.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5043  187.5666  248.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7013  187.7129  249.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9260  186.6094  249.6850 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5323  188.7593  250.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1424  189.0720  251.4072 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.6456  189.5138  250.8252 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6499  188.6846  247.7224 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.3409  189.1672  248.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3086  187.8911  246.6999 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7207  190.0267  246.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5376  190.9359  246.3236 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.5904  189.3659  245.7198 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.7823  190.8632  248.2021 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.5107  183.7026  246.6969 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.5199  180.4846  248.0971 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.5064  189.3053  250.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6266  190.2452  251.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
15.85877030,-139.58668637,149.84317416,-176.85355364,211.32359729,186.71157099
248.35505191,2.22090637,-0.85609323,-2.66957797

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448223/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.87775

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-2.52225

>  <SCORE.INTRA.DIHEDRAL>
-0.529172

>  <SCORE.INTRA.DIHEDRAL.0>
5.51796

>  <SCORE.INTRA.POLAR>
-0.915563

>  <SCORE.INTRA.POLAR.0>
-0.0634464

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.855254

>  <SCORE.INTRA.VDW.0>
-4.66049

>  <SCORE.INTRA.norm>
-0.105094

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.286573

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  207.8240  204.6413  249.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3931  203.5054  248.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1682  203.3348  247.6448 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1115  204.3455  247.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1210  204.6479  246.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9358  205.7945  246.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7308  206.6423  247.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7343  206.3208  248.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9069  205.1841  248.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3859  207.3055  250.1543 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.3905  207.8241  248.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7988  205.9973  245.7015 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4147  206.1820  245.8539 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.5493  207.3301  246.7561 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9010  204.9283  246.4197 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8745  206.4524  244.4943 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.8832  201.9708  246.5905 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.1535  200.8575  247.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4757  202.1701  246.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8330  202.1556  245.5030 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.1736  207.9019  247.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  2  16  -1  20  -1
M  END
>  <CHROM.1>
-61.61924764,-126.43295763,-13.27196577,-57.39626631,210.16482642,204.93073666
247.26474055,2.73761385,-0.56995957,-2.42765125

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448224/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.55195

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-1.84805

>  <SCORE.INTRA.DIHEDRAL>
1.60131

>  <SCORE.INTRA.DIHEDRAL.0>
3.1407

>  <SCORE.INTRA.POLAR>
-0.593233

>  <SCORE.INTRA.POLAR.0>
-0.496148

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.631712

>  <SCORE.INTRA.VDW.0>
-1.32908

>  <SCORE.INTRA.norm>
-0.0924024

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.327598

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002186

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  206.2598  210.8557  248.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2847  210.7336  250.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7449  211.3445  251.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7136  211.2704  252.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2345  211.8902  253.8259 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.2789  211.7162  254.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8234  212.6347  254.5787 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.7939  212.4331  256.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1042  210.9564  256.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1148  213.1900  255.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0553  213.0485  257.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0441  213.3076  253.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4369  214.0075  254.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9756  213.4983  255.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4243  215.4722  254.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0353  216.1985  254.4150 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.80118350,179.09324810,178.30140442,64.63827475,171.02234646,173.27574904
62.15182126,-5.38423504,-74.46184338,208.30083330,212.93795159,254.09078753
-2.35278041,-0.69467451,0.68631837

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448225/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.6508

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.9

>  <SCORE.INTRA>
-1.74924

>  <SCORE.INTRA.DIHEDRAL>
-1.8283

>  <SCORE.INTRA.DIHEDRAL.0>
3.92746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.835091

>  <SCORE.INTRA.VDW.0>
-0.544269

>  <SCORE.INTRA.norm>
-0.109328

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.790672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035667

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 64 66  0  0  0  0  0  0  0  0999 V2000
  208.1415  186.9878  243.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6211  185.9212  244.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8439  186.2189  245.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2048  184.4861  243.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1518  183.7605  243.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7763  182.2225  242.8000 P   0  0  1  0  0  0  0  0  0  0  0  0
  208.3406  181.3681  243.9491 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5945  182.4476  241.7344 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9113  181.5469  241.8869 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5367  181.1994  242.3663 P   0  0  1  0  0  0  0  0  0  0  0  0
  211.6551  182.5478  243.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9853  180.1522  243.4229 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1623  180.8520  242.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2891  180.9791  242.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6684  180.5589  242.5477 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.4214  181.3988  243.5843 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.4383  180.3644  244.1131 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.7101  179.0093  243.9542 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.5586  179.2265  243.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4653  177.8759  243.4593 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6677  176.6898  244.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4013  175.8477  243.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6661  176.5088  242.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3810  176.1669  241.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3867  177.0372  240.0345 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7508  178.2162  240.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1001  178.6837  241.2690 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0743  177.7626  242.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0869  174.9856  240.9146 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6737  180.5591  243.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6538  181.9329  244.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6511  183.1953  244.0553 P   0  0  0  0  0  0  0  0  0  0  0  0
  213.8480  183.2447  245.3478 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8527  184.2599  244.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6484  184.4578  243.4278 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1595  186.1339  244.6515 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.7441  185.2247  245.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1620  185.6249  246.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8346  183.9081  245.4425 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1540  182.8939  246.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2331  181.7311  246.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8511  180.5685  247.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3554  180.2375  248.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9201  179.8913  247.0398 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9516  178.5758  246.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0880  178.0764  245.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7828  177.9021  246.0846 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.3147  179.3737  246.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6520  180.2823  247.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8581  179.1717  247.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5226  178.2140  246.8302 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3966  180.1606  247.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8869  186.0994  243.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8267  182.8896  242.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1558  180.2884  243.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5939  174.2717  240.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.0569  175.1573  240.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.5592  180.3653  242.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4715  185.1309  244.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7370  184.1025  243.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.8528  183.6759  244.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8168  180.1282  247.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.7541  180.8386  248.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6448  185.2965  242.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  1  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 54  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  1  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  1  0  0  0
 17 18  1  0  0  0  0
 17 30  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
 36 37  1  1  0  0  0
 36 53  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 61  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 62  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 63  1  0  0  0  0
 53 64  1  0  0  0  0
M  END
>  <CHROM.1>
92.25146077,174.00690971,175.26432757,-49.91486360,-62.68460607,65.36100916
-42.57411978,-35.77582152,-38.86236014,-176.62503255,-73.21479741,-71.55358320
-64.50207598,120.34936728,99.21957834,168.13403536,-146.72926785,99.56008178
-111.09009746,-50.41016350,118.14944076,166.35991066,124.95032511,-100.45450955
161.61735108,61.40415782,-53.82425104,19.38742239,5.05829908,5.20096097,213.55051130
181.08276603,244.18384320,3.10950056,-0.64654216,1.71466731

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448234/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.09027

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.535849

>  <SCORE.INTRA>
-33.4903

>  <SCORE.INTRA.DIHEDRAL>
-21.838

>  <SCORE.INTRA.DIHEDRAL.0>
41.2732

>  <SCORE.INTRA.POLAR>
-2.2823

>  <SCORE.INTRA.POLAR.0>
-2.6166

>  <SCORE.INTRA.REPUL>
-0.697059

>  <SCORE.INTRA.REPUL.0>
0.732059

>  <SCORE.INTRA.VDW>
-11.3262

>  <SCORE.INTRA.VDW.0>
-6.29435

>  <SCORE.INTRA.norm>
-0.631892

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
-0.0960428

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057838

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  194.7361  224.1719  258.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7076  224.5964  257.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1669  226.0256  257.0184 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1751  226.9287  257.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5145  226.2097  257.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1041  224.9685  256.6810 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7775  225.5625  255.2694 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.4081  226.2483  255.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7173  224.5921  254.1997 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7925  224.3284  253.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8983  224.8788  253.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5050  223.2840  252.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4131  221.9186  253.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8217  220.8380  252.1221 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.6918  220.6456  250.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7085  219.5214  252.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3534  221.3458  251.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3805  221.6883  252.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4257  222.7324  253.4558 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4860  220.6912  253.0159 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4456  220.7594  254.0492 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.6531  219.3908  254.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2217  219.8352  253.5882 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.1938  220.3553  252.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9573  221.6882  252.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2988  221.7926  253.7331 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.0430  221.1480  254.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4601  223.2006  254.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2676  218.3211  253.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5628  218.7676  255.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1567  223.8726  256.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9233  223.4871  256.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8526  224.0838  254.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  8  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 27  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  1  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
-95.05781530,-72.36860585,167.52898203,60.95965717,-55.29525743,78.28622265
179.75425812,-176.75996664,193.77613067,222.59508199,254.33741249,0.77528823
0.32307169,0.82502063

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448235/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.10103

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-7.29897

>  <SCORE.INTRA.DIHEDRAL>
0.190426

>  <SCORE.INTRA.DIHEDRAL.0>
4.44856

>  <SCORE.INTRA.POLAR>
-0.999976

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.99427

>  <SCORE.INTRA.VDW.0>
1.1746

>  <SCORE.INTRA.norm>
-0.228093

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.190657

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002612

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  190.8064  211.4397  256.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3723  211.5592  256.6816 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1464  212.5233  255.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8004  210.2289  256.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5083  209.9291  257.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7768  209.8449  258.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8555  211.0530  259.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4265  211.0156  260.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6289  212.1460  261.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3289  211.9446  262.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4941  212.9742  263.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9752  214.2140  263.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3114  214.4187  261.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1494  213.3907  261.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6150  213.7309  259.3041 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.0068  213.4939  258.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4549  214.5914  257.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1966  214.5029  257.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4632  213.3268  257.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9944  212.2401  258.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2875  212.2853  258.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
132.36720474,-65.41899732,81.70428522,-163.85095864,188.33171592,212.45397811
259.08649922,-1.82028891,-1.12091551,1.05393715

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448236/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95983

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-3.44017

>  <SCORE.INTRA.DIHEDRAL>
-1.13145

>  <SCORE.INTRA.DIHEDRAL.0>
7.37388

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.87444

>  <SCORE.INTRA.VDW.0>
1.62642

>  <SCORE.INTRA.norm>
-0.163818

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.283801

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005417

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  198.6830  216.9496  242.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1140  216.3732  242.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7372  216.6625  240.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9281  217.0583  243.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0270  214.8495  242.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6304  214.3250  243.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2471  214.1535  241.6483 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9675  212.7668  241.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2806  212.1958  240.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0510  210.8144  240.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4746  209.9909  241.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1175  210.5618  242.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3540  211.9418  242.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2989  208.5197  241.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7696  208.1131  240.4682 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7021  207.7439  242.5712 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6285  206.3306  242.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9425  205.6712  243.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8691  204.3285  243.9964 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4734  203.5983  242.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1694  204.1468  241.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2542  205.5308  241.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9691  214.6382  240.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9342  208.2196  243.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-122.75019537,-173.31396731,-1.09830774,-173.65688196,199.05555625,210.68458434
242.18638598,1.27680346,-1.05411182,-0.27911399

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448237/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.50745

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-1.89255

>  <SCORE.INTRA.DIHEDRAL>
-4.75012

>  <SCORE.INTRA.DIHEDRAL.0>
5.01932

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.482506

>  <SCORE.INTRA.VDW.0>
1.33395

>  <SCORE.INTRA.norm>
-0.0860252

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.341248

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000847

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  202.7169  217.4274  260.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1304  216.5498  259.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9352  216.1119  258.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4278  215.2939  257.8993 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4983  214.8015  257.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9501  213.7643  256.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1032  213.1991  255.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8019  213.6778  255.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3541  214.7294  255.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2012  215.2873  256.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8771  213.1018  254.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2050  212.0257  253.4376 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3314  211.5480  252.5027 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7039  210.4352  251.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7527  209.8169  251.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7438  210.0546  250.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8923  208.9897  249.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7617  208.9170  248.9826 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8983  209.9493  249.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5007  210.6539  250.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5098  210.1938  248.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5126  207.9593  247.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7213  208.2991  246.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3950  207.3446  245.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9021  206.0524  245.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7333  205.7146  247.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0232  206.6556  248.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1028  208.1178  249.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5575  212.1761  254.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4959  212.0723  252.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.8078  211.8072  253.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.89527693,-179.91479758,-165.38433088,170.56384500,8.98996509,176.51875653
179.28689575,-151.03861616,198.90915605,211.40250796,252.57093778,1.12081633
-0.45209925,0.72312498

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448238/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.8614

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-3.5386

>  <SCORE.INTRA.DIHEDRAL>
-4.1555

>  <SCORE.INTRA.DIHEDRAL.0>
8.25693

>  <SCORE.INTRA.POLAR>
-0.933318

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.71244

>  <SCORE.INTRA.VDW.0>
0.716282

>  <SCORE.INTRA.norm>
-0.122021

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.305566

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000200

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  189.2062  226.2570  268.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7808  225.3350  269.8017 N   0  3  1  0  0  0  0  0  0  0  0  0
  190.8109  225.6024  269.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.3067  225.6740  271.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2587  225.2288  272.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8036  226.1090  272.1520 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.7966  223.8847  269.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8339  223.0734  270.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6210  223.6629  269.6487 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-154.70018071,157.15780305,64.10681806,-66.97520299,191.29982202,224.63612373
270.34305780,2.34455156,-0.40735115,0.95140844

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448239/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.75305

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-0.646951

>  <SCORE.INTRA.DIHEDRAL>
1.25896

>  <SCORE.INTRA.DIHEDRAL.0>
0.251956

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.27643

>  <SCORE.INTRA.VDW.0>
0.797322

>  <SCORE.INTRA.norm>
-0.0808689

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.09413

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037563

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  198.2907  219.0623  253.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3200  218.3141  252.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3280  218.8102  251.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3714  218.0780  250.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7897  218.3081  250.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4708  217.3745  251.4325 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3527  219.7163  250.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3917  220.3929  252.5999 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.9625  219.7167  250.2249 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.27755038,-61.94295941,115.93583418,105.88666194,201.64138703,219.15095574
251.57117237,-3.00529268,-0.42139468,-2.35473802

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448240/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.25593

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-1.14407

>  <SCORE.INTRA.DIHEDRAL>
0.0173692

>  <SCORE.INTRA.DIHEDRAL.0>
2.13809

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15276

>  <SCORE.INTRA.VDW.0>
-0.268829

>  <SCORE.INTRA.norm>
-0.127119

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.917325

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.032867

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  196.8312  222.6844  248.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7084  221.8403  250.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7459  221.9044  250.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9887  223.0680  251.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0430  223.1232  252.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8485  222.0094  252.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5959  220.8390  252.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5514  220.7580  251.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3727  219.4907  250.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4019  219.2438  249.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4402  217.8488  249.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7807  217.3251  249.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2261  218.2726  250.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
67.03260880,-2.86683491,198.23298142,220.64037037,250.69032722,1.49885946
-0.79412024,0.39400230

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448241/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.65884

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-1.74116

>  <SCORE.INTRA.DIHEDRAL>
-0.615342

>  <SCORE.INTRA.DIHEDRAL.0>
4.64936

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.43349

>  <SCORE.INTRA.VDW.0>
2.0123

>  <SCORE.INTRA.norm>
-0.133935

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.435296

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004205

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 51  0  0  0  0  0  0  0  0999 V2000
  196.0769  205.3496  252.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9984  206.5915  252.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1754  207.6038  252.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2901  208.1829  251.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8369  208.7932  253.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5131  206.8313  253.2441 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8085  207.6675  253.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5102  206.1389  254.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4666  204.9559  254.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9679  205.3099  254.8516 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.2726  205.7539  256.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9938  204.4116  254.0152 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6918  204.5182  252.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4885  205.7524  252.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6689  205.9127  253.0908 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.5404  204.6542  254.0061 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1826  204.6984  255.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1923  205.8071  255.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5674  207.1746  255.2099 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6472  207.2007  253.9283 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4552  208.5375  253.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6042  209.6325  254.1960 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.0897  209.7311  254.6323 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.5033  208.3883  255.5727 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3959  208.5266  257.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7120  209.9350  257.8498 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.1081  210.9518  256.8346 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3783  211.1266  255.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7039  210.7038  256.6821 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4568  210.6209  257.6997 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.9800  210.5408  259.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4482  211.5908  257.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8767  209.1516  257.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1632  210.0073  257.9187 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8995  211.3406  258.4841 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.7503  212.4191  257.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5540  211.4880  259.8776 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4521  210.9161  258.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9904  207.9904  255.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7168  210.7328  254.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1112  210.8381  254.1921 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.6967  210.8317  252.8189 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5518  209.9456  255.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8636  212.3544  254.6865 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3206  203.4955  253.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5057  209.1562  256.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.9928  211.6690  258.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1801  212.3943  255.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 12 10  1  1  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  6  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  6  0  0  0
 23 28  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 34  1  6  0  0  0
 27 28  1  0  0  0  0
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 33 46  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 38 47  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
 44 48  1  0  0  0  0
M  END
>  <CHROM.1>
61.51053659,-179.68624513,155.01913650,74.10009850,78.81302516,61.15002901
52.55011173,179.23562638,55.64837233,-13.47789548,-67.66124146,-70.51570287
178.92874971,-88.94349693,-66.29185975,202.81027926,208.63894315,255.31883517
2.55025544,0.33020243,-2.75303237

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448242/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.29379

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.386667

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0603497

>  <SCORE.INTRA.REPUL.0>
0.0603497

>  <SCORE.INTRA.VDW>
-6.99976

>  <SCORE.INTRA.VDW.0>
1.5724

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
0.0287509

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029796

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  212.9828  184.8879  245.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1186  183.5042  245.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6506  182.6929  244.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0474  183.2566  243.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9065  184.6486  243.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3743  185.4597  244.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5597  182.3662  242.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6169  182.0513  241.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7955  181.4390  242.1964 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7415  182.1968  242.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8179  183.5624  242.5505 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4503  184.4435  243.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2251  184.1643  244.3807 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6448  185.3133  245.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1797  186.4880  244.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1893  186.1407  243.1193 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.0951  181.2890  243.2954 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.1620  183.9821  241.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6152  182.3401  243.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
-88.21494480,56.69768171,-88.84672775,-163.30447333,4.71227176,214.26273971
183.73360147,243.66890839,1.07028890,0.10072570,0.41813881

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448243/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.70456

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-7.69544

>  <SCORE.INTRA.DIHEDRAL>
-2.58159

>  <SCORE.INTRA.DIHEDRAL.0>
6.41484

>  <SCORE.INTRA.POLAR>
-0.824156

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.60252

>  <SCORE.INTRA.VDW.0>
-1.77671

>  <SCORE.INTRA.norm>
-0.452673

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.159092

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000048

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  200.7220  202.4489  250.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0209  202.4900  249.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9440  202.0877  248.5203 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4332  202.2543  247.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9253  201.1678  246.6606 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3034  201.3289  245.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2151  202.5006  244.8823 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8380  203.4852  245.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4396  203.4527  246.6791 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8315  204.9973  244.7091 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.6954  200.2462  244.8983 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0197  200.3930  243.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5843  200.8649  243.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7786  198.9487  245.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6882  198.7553  246.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2641  201.1252  248.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-172.53480850,-98.26101476,-179.52480651,-85.44988069,85.62912203,199.38785148
201.96956591,246.18514846,0.23704925,1.07040623,2.34994246

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448244/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.10876

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-2.29124

>  <SCORE.INTRA.DIHEDRAL>
-3.93047

>  <SCORE.INTRA.DIHEDRAL.0>
9.07164

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.326

>  <SCORE.INTRA.VDW.0>
0.669191

>  <SCORE.INTRA.norm>
-0.152749

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.540584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000084

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  219.4868  175.3975  246.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9001  176.3995  245.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0240  177.7686  245.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5019  178.7234  245.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8611  178.2926  243.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7222  176.9335  243.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2333  175.9895  244.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0800  176.4995  242.4488 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8197  177.3311  241.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1134  178.5308  241.3528 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2042  176.7386  240.3238 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8303  177.5485  239.1568 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9147  176.7201  237.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4415  178.2701  239.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3127  179.1433  240.4929 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4128  180.2751  240.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3560  181.2173  241.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9522  180.4845  242.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8378  179.2602  242.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8607  178.3719  241.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5938  180.1918  245.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0117  175.5041  242.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7635  175.8377  240.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
15.05589394,147.99103325,56.06768554,149.43812296,216.31317867,178.10934456
242.42957824,-0.51175521,0.75440779,-2.10953782

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448245/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.31071

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.08929

>  <SCORE.INTRA.DIHEDRAL>
0.267077

>  <SCORE.INTRA.DIHEDRAL.0>
2.21155

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.22283

>  <SCORE.INTRA.VDW.0>
0.405155

>  <SCORE.INTRA.norm>
-0.09949

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.348129

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000138

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 55  0  0  0  0  0  0  0  0999 V2000
  201.1227  219.2684  247.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6922  218.6673  247.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0112  218.5648  245.7822 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5512  218.3049  245.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9016  217.3483  244.9316 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4845  218.4707  243.9328 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5317  217.9620  242.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9393  217.4698  242.2775 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9186  216.9569  243.5488 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.9673  216.2854  244.4829 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8277  215.6682  245.6592 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2339  216.3314  245.4411 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.7386  217.6764  244.7441 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.4651  215.6083  244.5831 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.3300  215.8274  242.9107 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.8095  215.8809  242.8638 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4818  214.3211  243.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7612  213.4955  242.6726 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.2570  214.5474  241.7119 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.8865  213.9182  240.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9293  214.9316  239.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5595  216.0987  239.7200 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5622  214.6721  238.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6069  215.6244  237.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0252  215.2241  235.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4028  213.9016  235.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4283  212.9627  236.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0180  213.3498  238.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0385  213.4112  243.5910 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7830  214.0930  244.9153 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.7778  213.4277  245.6644 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9115  212.2839  243.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6546  211.9419  242.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3791  212.2113  242.2252 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6799  216.3544  245.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9901  216.3203  246.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3391  215.7344  247.2364 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2073  217.1092  246.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1755  216.0784  246.8627 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5658  215.6309  248.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6747  216.2779  241.4479 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3635  216.4352  240.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1821  218.9883  244.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6421  216.4534  245.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1274  215.6910  244.1923 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0011  214.8604  244.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7286  213.8965  246.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0670  211.7244  243.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1988  219.3809  245.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 44  1  1  0  0  0
  6  7  1  0  0  0  0
  6 43  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  6  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 47  1  0  0  0  0
 32 33  1  0  0  0  0
 34 48  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 39 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 49  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <CHROM.1>
-165.24510079,176.39966189,61.70006295,79.41190034,174.03568836,59.95499358
-72.22131397,-62.05076858,3.92906291,179.44360313,65.07266767,-62.83500171
-0.44180164,-179.89236874,200.03622462,215.69938453,243.25690020,-2.17688575
0.37986283,-1.74734300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448246/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.1516

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.356522

>  <SCORE.INTRA>
-21.5516

>  <SCORE.INTRA.DIHEDRAL>
-19.9421

>  <SCORE.INTRA.DIHEDRAL.0>
25.247

>  <SCORE.INTRA.POLAR>
0.0329272

>  <SCORE.INTRA.POLAR.0>
-0.0329272

>  <SCORE.INTRA.REPUL>
-0.34416

>  <SCORE.INTRA.REPUL.0>
0.34416

>  <SCORE.INTRA.VDW>
-9.97171

>  <SCORE.INTRA.VDW.0>
6.42731

>  <SCORE.INTRA.norm>
-0.468513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
-0.111991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012871

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  200.7711  209.2535  249.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2593  208.6747  247.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6956  209.4724  246.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1179  208.9818  245.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5927  207.5650  244.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1615  206.9319  243.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6857  209.9972  244.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4116  211.3472  244.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9470  212.3054  243.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-179.93653669,64.54112911,-170.17505063,66.30211134,-179.81099216,200.95899604
209.39781455,245.48042888,-2.79956396,-1.54486696,-2.34927304

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448247/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.60567

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.15556

>  <SCORE.INTRA>
-0.794326

>  <SCORE.INTRA.DIHEDRAL>
0.55499

>  <SCORE.INTRA.DIHEDRAL.0>
0.380738

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07182

>  <SCORE.INTRA.VDW.0>
1.33755

>  <SCORE.INTRA.norm>
-0.0882585

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.0673

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  221.8637  181.1915  243.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1193  179.7201  243.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1705  179.0664  242.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3464  177.6848  242.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5014  176.9396  243.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4781  177.6023  244.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2869  178.9765  244.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8712  175.2027  243.9032 S   0  0  0  0  0  0  0  0  0  0  0  0
  224.6345  175.1731  244.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7834  175.0785  245.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9099  176.0849  246.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0476  175.7415  247.4245 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1538  177.3963  246.2700 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.4647  178.4247  246.9244 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.6624  179.7309  246.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3443  180.0253  245.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9418  180.7736  247.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5352  180.9111  247.0047 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6931  179.8478  247.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0921  178.8010  247.8201 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2164  180.1202  247.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9061  180.8635  245.8879 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7345  181.9430  245.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2304  182.9618  244.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9887  184.1041  244.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2491  184.2228  245.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7703  183.1847  246.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0270  182.0211  246.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1392  179.7669  241.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8948  177.6720  245.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.7602  178.1601  247.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
53.06007884,95.00357053,-48.35356540,120.55492619,-176.09758792,-81.19296763
69.26825795,222.19969520,179.20499676,245.32238638,-2.75535107,-1.06857231
2.11146314

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448248/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.31291

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-8.08709

>  <SCORE.INTRA.DIHEDRAL>
-2.76853

>  <SCORE.INTRA.DIHEDRAL.0>
11.9948

>  <SCORE.INTRA.POLAR>
-0.424144

>  <SCORE.INTRA.POLAR.0>
-0.107964

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.26073

>  <SCORE.INTRA.VDW.0>
-2.82904

>  <SCORE.INTRA.norm>
-0.278865

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.148721

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  186.2434  208.5551  256.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9932  208.0107  256.7791 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.6843  208.0909  255.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6533  207.0854  254.8915 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.2490  206.6216  257.0574 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7262  207.6978  254.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6789  206.9341  255.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9918  207.8703  253.8367 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9822  206.1967  255.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.3689  207.3365  254.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.9836  206.6293  257.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.2897  207.3256  253.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <CHROM.1>
-70.76613584,-103.08048002,74.15484881,65.00047184,44.43250062,179.72854833
185.53819126,207.55531983,255.54265083,-0.43212092,-0.05745695,1.65480449

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448249/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.30373

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-6.09627

>  <SCORE.INTRA.DIHEDRAL>
-1.92023

>  <SCORE.INTRA.DIHEDRAL.0>
4.87583

>  <SCORE.INTRA.POLAR>
-0.893118

>  <SCORE.INTRA.POLAR.0>
-0.239768

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.09955

>  <SCORE.INTRA.VDW.0>
1.56004

>  <SCORE.INTRA.norm>
-0.762034

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.412966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011811

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  226.7947  190.5052  250.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4608  190.6031  251.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4440  191.3322  250.7866 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.2363  192.6622  251.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9259  193.3961  251.7447 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9286  193.0499  250.4257 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.0080  194.3966  249.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9683  194.4853  248.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3105  193.3849  248.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4433  191.9384  248.6533 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.6421  191.9136  249.5590 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.5324  190.8663  249.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5131  189.3481  249.1670 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.1540  191.4848  249.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9416  191.2659  248.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7732  190.9447  249.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7810  190.8774  250.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9709  191.0593  251.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1309  191.3767  250.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6845  190.6290  251.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5817  191.4981  251.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9634  191.4017  247.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5786  190.2601  246.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4379  193.8461  247.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4937  195.2329  247.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7861  196.1643  246.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0475  197.5301  246.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9826  197.9545  247.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6964  197.0226  248.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4469  195.6478  248.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8080  193.2738  246.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8 30  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
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M  END
>  <CHROM.1>
-96.44677711,70.23406039,121.21824761,-53.92347948,221.25163809,192.52927596
249.30982935,-0.44934823,-0.14845964,-0.45768812

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448258/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.73801

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-2.66199

>  <SCORE.INTRA.DIHEDRAL>
4.64061

>  <SCORE.INTRA.DIHEDRAL.0>
4.90167

>  <SCORE.INTRA.POLAR>
-0.505261

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.26441

>  <SCORE.INTRA.VDW.0>
2.12242

>  <SCORE.INTRA.norm>
-0.0887331

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.2246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  205.1653  186.0483  239.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8459  186.9700  240.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7211  186.4330  242.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3561  187.3176  243.1668 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6844  187.2512  243.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9166  188.2956  244.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6998  188.9834  244.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7396  188.3674  243.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2943  188.7158  243.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4547  190.1108  245.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3639  190.7319  246.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7784  190.1755  246.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9518  189.7140  246.2788 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9488  191.8596  247.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8097  192.3117  247.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9826  192.3337  247.8763 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6775  193.4932  248.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7763  193.1895  249.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2923  192.9271  250.9372 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4084  193.2037  249.5808 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3862  192.9649  250.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0514  192.8039  250.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0476  192.4747  251.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3938  192.2461  252.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6902  192.4972  252.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6698  192.8713  251.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7535  192.3373  250.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6864  192.6784  251.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4834  191.9952  251.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3604  192.2763  251.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4355  193.2423  252.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6188  193.9466  253.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7292  193.6882  252.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6821  186.2450  243.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1297  193.2070  248.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-179.28165019,-88.21806950,-0.53633285,-1.15038388,175.60883808,71.76541757
92.09874727,-170.41932874,-147.75779861,-151.29171353,204.66248930,190.88014155
247.79203587,1.00771395,-0.14268680,-2.19296177

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448259/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.2951

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-2.10486

>  <SCORE.INTRA.DIHEDRAL>
-4.85718

>  <SCORE.INTRA.DIHEDRAL.0>
12.3199

>  <SCORE.INTRA.POLAR>
-0.201375

>  <SCORE.INTRA.POLAR.0>
-0.405676

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.00841

>  <SCORE.INTRA.VDW.0>
-1.11595

>  <SCORE.INTRA.norm>
-0.0619076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.391034

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001752

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  201.3636  206.5651  251.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0368  206.5735  251.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4749  205.4262  252.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2318  204.2519  252.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6689  203.0816  252.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4407  201.9309  252.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7704  201.9343  252.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3510  203.0783  251.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5867  204.2472  251.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1363  205.4124  251.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5187  200.7964  252.6010 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9305  200.7613  253.3925 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9064  200.1369  252.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9997  200.9136  253.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-0.33378840,-0.08065905,200.96149349,203.53893210,252.22794002,-1.65229037
-0.28638085,2.83671120

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448260/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39335

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-0.00665295

>  <SCORE.INTRA.DIHEDRAL>
-0.0178553

>  <SCORE.INTRA.DIHEDRAL.0>
0.0181205

>  <SCORE.INTRA.POLAR>
-2.33131e-05

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00235395

>  <SCORE.INTRA.VDW.0>
0.650196

>  <SCORE.INTRA.norm>
-0.000554412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.449446

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.072439

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  199.1225  197.9644  248.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0152  199.1679  248.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2694  200.4487  248.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1140  201.7096  248.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3907  203.0189  247.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9023  203.1029  246.5319 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9843  203.1447  245.6021 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.6272  203.9635  245.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5701  202.2920  245.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6503  203.2581  244.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2863  203.9223  246.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
-179.67788920,179.91600739,-60.73241176,-66.49361738,-58.84801655,199.54795646
201.27335486,247.52633961,2.01114943,1.53826481,2.29249353

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448261/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.88986

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-0.51014

>  <SCORE.INTRA.DIHEDRAL>
-0.136477

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.441902

>  <SCORE.INTRA.VDW.0>
-0.199282

>  <SCORE.INTRA.norm>
-0.0728772

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.26998

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006369

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  216.5250  192.5253  244.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3808  193.0143  243.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8783  193.3672  242.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7213  193.8555  241.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7288  194.2744  240.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
M  END
>  <CHROM.1>
179.99875757,121.88918893,215.30377378,193.36818394,242.38418964,1.03097531
-0.17530501,1.87963299

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39999

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-1.25982e-05

>  <SCORE.INTRA.DIHEDRAL>
-2.53012e-05

>  <SCORE.INTRA.DIHEDRAL.0>
2.5307e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
5.23914e-08

>  <SCORE.INTRA.VDW.0>
-0.24305

>  <SCORE.INTRA.norm>
-2.51964e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.48

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017271

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  206.6580  210.4867  244.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5297  209.7758  244.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2603  210.6357  243.9589 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1210  209.9517  243.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9755  210.8007  243.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7379  210.9613  245.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4490  212.1851  245.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0433  213.6492  245.2825 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.5265  212.1804  246.8228 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6784  211.0476  247.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0970  210.3401  248.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5111  209.8263  248.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7654  208.5102  247.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0782  208.0565  247.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1467  208.9138  248.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9039  210.2296  248.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5942  210.6844  248.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6517  210.9648  243.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5458  210.1503  245.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2559  213.1030  247.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
177.96078233,-178.42178970,126.07570765,-62.37363610,106.27756819,-59.27329396
-94.33332233,203.96943943,210.73904070,246.14029455,-1.90579933,-0.72330491
1.85973081

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448264/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38623

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-5.01377

>  <SCORE.INTRA.DIHEDRAL>
-1.30597

>  <SCORE.INTRA.DIHEDRAL.0>
5.91115

>  <SCORE.INTRA.POLAR>
0.00490609

>  <SCORE.INTRA.POLAR.0>
-0.00490609

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.37746

>  <SCORE.INTRA.VDW.0>
-0.379945

>  <SCORE.INTRA.norm>
-0.294927

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.375661

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022308

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  203.5337  203.8648  249.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6907  204.5295  248.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6477  203.7099  247.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7579  204.2646  247.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9577  205.6411  247.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0450  206.4604  247.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8850  205.9219  248.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9357  206.7376  248.9096 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7136  207.9852  248.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5526  208.1383  246.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4040  209.4049  246.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3476  210.5271  247.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4410  210.3791  248.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6331  209.1129  249.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7372  209.0389  250.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-146.44170656,46.43108957,204.46513094,207.03422831,248.13590201,0.88577151
-0.93624530,2.64377190

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448265/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.38965

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.0103488

>  <SCORE.INTRA.DIHEDRAL>
0.131907

>  <SCORE.INTRA.DIHEDRAL.0>
3.87408

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0763024

>  <SCORE.INTRA.VDW.0>
-0.255173

>  <SCORE.INTRA.norm>
-0.000689922

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.492643

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001503

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  195.6680  213.2851  260.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3634  214.4051  260.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5592  214.2661  261.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6603  215.5705  261.3472 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7314  216.7956  260.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8982  217.5570  260.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0584  218.6026  259.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0278  218.9157  258.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7910  218.2667  258.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6410  217.1976  259.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2577  219.8981  257.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2784  220.2048  256.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3466  221.2102  255.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4558  222.0310  255.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4330  223.0565  254.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2880  223.2687  253.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1710  222.4596  254.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1982  221.4349  255.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3925  215.6993  262.7239 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  1  19  -1
M  END
>  <CHROM.1>
-101.86271924,-69.89737283,179.59941357,-3.45016888,195.76271780,218.50988083
258.49640788,1.46973288,0.60348329,2.48112642

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448282/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.47498

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-4.92502

>  <SCORE.INTRA.DIHEDRAL>
-7.43528

>  <SCORE.INTRA.DIHEDRAL.0>
8.42712

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.20738

>  <SCORE.INTRA.VDW.0>
0.288037

>  <SCORE.INTRA.norm>
-0.259212

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.235525

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005546

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  213.4221  179.0656  244.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3035  179.5797  243.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0353  179.2229  242.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8883  178.3570  241.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0019  177.8260  242.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2652  178.1833  243.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5524  178.0927  240.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5210  178.5371  239.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4592  177.3816  239.3197 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5407  178.0224  238.5503 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.1815  179.2778  239.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4836  179.3533  239.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1498  180.0766  240.0506 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5429  180.0027  241.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9699  179.4635  242.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2214  180.6240  241.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9481  181.6762  242.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9468  182.5700  241.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2379  182.3742  240.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4885  181.2533  239.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4873  180.3277  240.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5599  176.7821  238.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1318  175.7971  237.6946 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8728  176.8502  238.7821 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8430  175.8144  238.8567 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0276  176.0511  239.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1959  175.0947  239.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3872  175.3963  239.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4764  174.5440  240.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2734  173.2132  239.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3077  172.3092  240.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1043  170.9303  240.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8892  170.4370  239.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8932  171.3249  239.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0912  172.7083  239.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0452  173.6765  238.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0792  173.3071  238.3123 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1099  176.5368  238.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.2049  181.0457  239.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.2172  177.7564  239.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  1  0  0  0
 11 21  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 36  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-5.47974511,-90.58295986,36.19392847,140.36876697,60.24995607,-179.57778672
-177.31385482,216.72114225,177.16680485,240.25465397,-2.44468487,0.30457078
-2.56456555

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448283/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.88898

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335135

>  <SCORE.INTRA>
-6.51102

>  <SCORE.INTRA.DIHEDRAL>
-2.81588

>  <SCORE.INTRA.DIHEDRAL.0>
6.07325

>  <SCORE.INTRA.POLAR>
-0.176989

>  <SCORE.INTRA.POLAR.0>
-0.500803

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.50131

>  <SCORE.INTRA.VDW.0>
-1.67661

>  <SCORE.INTRA.norm>
-0.175974

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.159162

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  216.6007  190.4464  246.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2846  190.4864  247.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4770  189.3572  247.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2246  189.1783  247.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7231  190.1340  248.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4994  191.2536  249.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7905  191.4478  248.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3362  192.6054  249.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6979  192.9031  248.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0050  194.3751  249.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2737  195.2780  248.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9078  195.3639  248.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0882  194.5883  247.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6973  194.6086  247.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1419  195.3118  248.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9460  196.0830  249.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3137  196.1463  249.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2845  195.2237  249.2230 Br  0  0  0  0  0  0  0  0  0  0  0  0
  214.6631  193.8259  246.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1050  192.8457  245.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8406  192.1586  244.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8869  192.5695  244.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1655  191.0011  244.2639 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9467  190.7796  244.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9145  189.4817  244.6798 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.5693  192.1091  245.9484 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.7633  190.1254  243.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4807  188.9465  243.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2129  187.6374  243.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-9.47357789,165.63321637,-63.20268629,69.18330354,-96.59612172,164.98406551
98.73087710,116.96337420,213.62283848,192.56391451,247.20930969,-1.23667967
-0.01886268,0.66825930

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448284/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.36528

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-8.03472

>  <SCORE.INTRA.DIHEDRAL>
0.257129

>  <SCORE.INTRA.DIHEDRAL.0>
9.40414

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.16328

>  <SCORE.INTRA.VDW.0>
0.318624

>  <SCORE.INTRA.norm>
-0.277059

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.18501

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000058

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  202.4404  212.3914  257.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0728  211.5304  259.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5148  211.6857  258.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4220  212.4166  259.4662 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9404  211.8872  260.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6871  210.7572  261.0453 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8688  212.8333  261.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1466  213.7218  262.2409 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4475  214.6931  261.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3396  214.7952  260.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8062  215.5758  262.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0614  215.3142  263.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4791  216.1139  264.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6565  217.1324  264.5951 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4096  217.3956  263.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5605  218.4556  263.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2408  218.8136  261.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7778  218.0940  260.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6289  217.0216  260.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9654  216.6517  262.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7144  215.9329  266.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1076  216.7858  267.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3427  216.6480  268.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1932  215.6499  269.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8023  214.7869  268.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5654  214.9282  266.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5348  213.4183  259.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
147.43912415,84.76833010,-71.81959839,4.58459910,2.67907894,179.26459447
203.57563629,214.98700346,262.86612157,1.51912528,1.07066981,-2.00715601

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448285/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.01626

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-2.38374

>  <SCORE.INTRA.DIHEDRAL>
-5.95147

>  <SCORE.INTRA.DIHEDRAL.0>
9.17773

>  <SCORE.INTRA.POLAR>
-0.243075

>  <SCORE.INTRA.POLAR.0>
-0.384442

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.41845

>  <SCORE.INTRA.VDW.0>
-0.815357

>  <SCORE.INTRA.norm>
-0.0916822

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.346779

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005924

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  193.7668  214.2393  253.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9504  214.6566  251.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4031  215.0510  251.5942 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.7940  216.3239  252.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4268  213.9572  251.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1634  212.6314  251.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3283  215.3773  250.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6072  215.9539  249.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6894  214.9894  249.4960 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7812  215.1846  250.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8923  216.1742  251.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8362  214.1325  250.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9898  214.3974  251.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0093  213.4546  251.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8743  212.2386  250.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7352  211.9786  249.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7286  212.9412  249.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5798  212.5979  248.7903 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5786  214.0637  249.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7817  212.5635  247.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.1643  211.7189  249.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-65.68098300,60.00209829,173.52483436,64.33914133,-110.52796277,175.14668905
115.09603185,197.80534227,214.26068801,250.78776015,2.85627284,0.27103394
0.02537732

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448286/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.92598

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-4.47402

>  <SCORE.INTRA.DIHEDRAL>
-2.5735

>  <SCORE.INTRA.DIHEDRAL.0>
4.40488

>  <SCORE.INTRA.POLAR>
-0.467003

>  <SCORE.INTRA.POLAR.0>
-0.294231

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.59946

>  <SCORE.INTRA.VDW.0>
4.33891

>  <SCORE.INTRA.norm>
-0.248557

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.440332

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000425

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  192.5364  218.8668  262.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6045  217.6624  262.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1624  218.0870  263.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7770  217.0649  261.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1032  215.6969  261.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1773  215.2792  259.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5868  215.0792  259.1493 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1295  213.6960  259.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7804  215.5848  257.6222 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7668  214.8881  256.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5481  215.8263  256.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0784  217.2531  257.0499 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.6179  217.0775  257.1125 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.3691  218.1331  257.9396 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.5561  219.4140  258.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2785  219.1040  258.8803 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.4622  217.9031  258.3101 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.9285  218.0101  258.2279 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.2348  219.0007  259.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1167  219.9569  259.9320 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.4938  220.3561  259.3436 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.2423  220.9787  260.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5494  222.2153  261.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0347  222.0798  261.3411 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3010  221.1985  260.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7857  221.5758  262.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4704  221.4068  258.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4749  218.2489  256.9029 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6953  218.3781  257.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0963  217.2468  255.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1175  222.2170  263.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.8906  219.0744  256.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2013  217.5425  257.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  6  0  0  0
 14 15  1  0  0  0  0
 14 29  1  6  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <CHROM.1>
168.72940171,172.66270510,62.15448689,80.03397263,-57.08754618,-62.13287156
-58.42358948,62.59925743,191.06553530,218.26329179,259.32797266,-2.59903809
1.06296683,-1.55517905

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448287/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.927796

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-9.4722

>  <SCORE.INTRA.DIHEDRAL>
-5.94729

>  <SCORE.INTRA.DIHEDRAL.0>
10.4303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.49856

>  <SCORE.INTRA.VDW.0>
3.07503

>  <SCORE.INTRA.norm>
-0.31574

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0309265

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001584

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  215.3315  188.5808  254.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7922  188.2368  255.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2156  186.9581  254.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5699  186.6857  254.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9552  185.8360  255.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2461  185.3406  255.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2019  185.7076  255.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8729  186.6206  254.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5798  187.1812  253.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5027  188.0891  252.8516 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3935  188.8992  252.3706 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.7354  190.3967  252.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7912  191.3468  252.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8891  192.6814  252.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9453  193.1071  251.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9302  192.1890  251.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8267  190.8428  251.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8520  194.4093  251.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0543  195.0663  250.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6046  188.4055  250.7949 P   0  0  0  0  0  0  0  0  0  0  0  0
  219.0113  188.3687  250.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1216  186.6203  251.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8269  186.3637  252.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5107  185.1142  252.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4895  184.1259  252.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7882  184.3832  252.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1045  185.6170  251.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8156  187.9120  249.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5837  188.4375  248.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9585  187.9453  247.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5538  186.9185  246.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7748  186.3856  247.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4031  186.8759  248.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3778  188.4570  252.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 34  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 28  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
178.36967744,99.34166271,5.01275013,128.36899807,-138.61816208,-51.42967872
157.09278887,99.32970296,-27.69619825,217.96888746,188.29775738,251.90511532
-1.78040280,-1.05319836,-0.56418383

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448288/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.99705

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-6.40295

>  <SCORE.INTRA.DIHEDRAL>
-1.59914

>  <SCORE.INTRA.DIHEDRAL.0>
21.9049

>  <SCORE.INTRA.POLAR>
0.0955259

>  <SCORE.INTRA.POLAR.0>
-0.0955259

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.92817

>  <SCORE.INTRA.VDW.0>
-0.85154

>  <SCORE.INTRA.norm>
-0.194029

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.242335

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 29  0  0  0  0  0  0  0  0999 V2000
  226.9373  183.0544  250.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5808  183.2663  250.2427 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.3375  184.7336  250.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2190  185.2736  251.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9888  184.4941  250.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8507  185.1539  250.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9542  184.3859  249.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1071  183.0134  249.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1532  182.2641  249.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1415  183.0722  250.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4992  182.5527  251.0015 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.6027  181.0086  251.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3930  180.1916  250.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2688  180.7631  249.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3077  179.8176  249.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3862  178.4248  249.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4515  177.9201  250.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4608  178.7968  250.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3588  177.6902  249.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3761  176.2822  249.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1871  180.1314  248.7665 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0997  182.5484  248.5674 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4375  183.7498  248.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8671  184.8967  248.8869 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3187  180.9908  248.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 24  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
20.91048892,174.87381042,222.37154188,181.79198592,249.88925130,-1.11193038
0.35732720,3.09720629

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448289/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.33106

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-1.06894

>  <SCORE.INTRA.DIHEDRAL>
0.267876

>  <SCORE.INTRA.DIHEDRAL.0>
0.369333

>  <SCORE.INTRA.POLAR>
-0.218921

>  <SCORE.INTRA.POLAR.0>
-0.485797

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.458549

>  <SCORE.INTRA.VDW.0>
1.84022

>  <SCORE.INTRA.norm>
-0.0445393

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.222127

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  208.2133  194.9634  242.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4466  193.5952  242.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9085  193.4470  243.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2408  192.1099  243.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5949  191.8037  245.2516 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5876  190.3448  245.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6750  189.8478  246.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1916  190.1616  246.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3697  189.6802  247.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3089  192.5159  246.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4249  193.0743  247.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4566  194.1412  246.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4466  193.5186  246.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6628  194.3856  245.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7128  195.6044  245.5123 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6790  193.6533  244.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6550  192.2569  244.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7175  191.6295  243.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7696  192.3803  243.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8464  193.7763  243.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7834  194.4101  243.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9149  191.7574  242.0933 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3826  191.1038  241.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0847  191.3547  242.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
178.56664460,-64.18160838,158.27992926,-166.36878894,142.19789503,60.17496681
-178.07171129,-63.23395322,70.52425436,-169.25636502,-2.69341772,-3.28451270
-45.38086484,207.24757388,192.67680193,244.86303406,-2.67723823,0.32554518
2.53081969

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448290/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.3083

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.836364

>  <SCORE.INTRA>
-6.09166

>  <SCORE.INTRA.DIHEDRAL>
-1.00381

>  <SCORE.INTRA.DIHEDRAL.0>
5.03915

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.58976

>  <SCORE.INTRA.VDW.0>
1.32398

>  <SCORE.INTRA.norm>
-0.276894

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.55947

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001504

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  184.7367  227.9048  247.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7831  227.0387  248.8316 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.4489  226.9808  249.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2457  225.6778  248.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8625  224.9025  249.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2405  225.4299  250.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2184  226.8073  250.5551 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4194  227.1912  251.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.8309  228.5219  251.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7120  229.1470  251.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7633  228.5420  252.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6262  229.2612  253.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7217  228.7076  253.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9557  227.4348  254.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0819  226.7099  254.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9854  227.2633  253.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7443  226.6925  255.7311 Br  0  0  0  0  0  0  0  0  0  0  0  0
  184.3141  230.3808  251.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6819  229.0599  250.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7048  230.2106  249.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4627  227.8690  249.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0485  227.8840  248.6354 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3048  227.2746  252.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1488  226.3568  253.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8891  226.3462  255.1194 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8466  227.2907  255.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1059  228.2371  254.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3309  228.2221  253.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9830  230.7196  250.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  1  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
156.18107462,-72.26530015,63.22293363,58.94877525,-112.26808628,178.45646014
-1.42622764,184.83652820,227.49134276,252.32163970,0.74542434,-0.00666755
-1.47929985

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448291/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.6275

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-7.7725

>  <SCORE.INTRA.DIHEDRAL>
-11.959

>  <SCORE.INTRA.DIHEDRAL.0>
14.8261

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79298

>  <SCORE.INTRA.VDW.0>
-1.97627

>  <SCORE.INTRA.norm>
-0.277589

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.129553

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000351

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 39  0  0  0  0  0  0  0  0999 V2000
  188.1244  199.0131  253.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8354  200.3203  252.7423 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8174  200.7601  251.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8004  200.0650  251.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5963  202.1940  251.2719 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.8723  202.4147  250.4559 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.5704  201.5425  249.1845 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.1085  202.5774  248.2210 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0923  202.6163  246.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0296  202.3291  245.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5540  202.1701  244.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2042  202.3022  244.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2990  202.7044  245.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7617  202.9122  246.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0793  203.3177  247.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8908  203.0590  248.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4606  202.4690  250.1720 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.5957  200.8415  249.5068 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.4697  203.5017  250.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7762  204.7111  251.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8123  205.3674  252.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5229  204.8425  252.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1763  203.6710  251.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1281  203.0231  250.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4755  200.4890  248.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7217  200.8640  248.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4698  199.9756  247.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0144  198.6775  247.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8476  198.2508  247.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0935  199.1459  248.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1544  202.3787  251.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1059  201.6486  251.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1815  203.4722  252.0893 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3588  203.6777  252.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  1  0  0  0
  7 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  6  0  0  0
  8 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
3.04985196,178.29318833,124.49562471,-65.32840701,45.01449985,-175.51995088
188.84781932,201.91276654,249.54179544,-2.32441544,0.55907843,-1.58574727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448292/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.21257

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-3.18743

>  <SCORE.INTRA.DIHEDRAL>
-3.73704

>  <SCORE.INTRA.DIHEDRAL.0>
6.68013

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.3189

>  <SCORE.INTRA.VDW.0>
0.610029

>  <SCORE.INTRA.norm>
-0.0937478

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.241546

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000236

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 72 75  0  0  0  0  0  0  0  0999 V2000
  189.3840  212.0655  252.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8324  212.5061  252.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1754  213.4976  251.4484 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7350  211.6839  252.7099 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4469  210.4072  253.3579 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0362  209.1872  252.6216 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.5677  209.3279  252.6448 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0788  209.4056  254.0282 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4055  210.4179  254.8239 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9714  210.4429  254.7804 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.3667  209.3450  255.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0896  209.1328  256.8536 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5162  208.2090  257.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4628  207.8281  258.8166 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7551  209.0522  259.6957 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.6382  209.3513  260.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3274  208.2732  261.4548 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8435  207.0260  260.6705 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.9521  206.6564  259.6585 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.0729  206.1120  260.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5004  207.2924  260.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5508  205.8936  261.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4825  207.9462  262.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8701  209.0308  263.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2713  208.7923  263.6383 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.3498  208.8238  262.5323 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.3925  210.2697  261.9363 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6504  211.2450  262.9618 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6350  211.2803  263.9887 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.5568  209.8979  264.6740 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7743  209.5843  265.3525 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9289  212.3935  265.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9124  213.6766  264.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3824  210.4023  260.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1816  207.7470  261.5395 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2405  206.9347  261.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1735  207.3261  260.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1864  205.5204  261.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1065  210.3125  258.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5438  211.4076  259.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1208  210.1588  258.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1470  207.9994  254.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5970  208.0105  256.0494 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1929  208.2777  251.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5756  208.9597  251.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1746  208.8309  250.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8524  208.7669  249.5854 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3450  208.5518  249.3532 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.5945  209.8654  249.5978 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.1419  211.0024  248.7192 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.6611  211.1260  248.9312 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3669  209.8760  248.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3347  212.1925  248.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0678  213.0899  248.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1472  211.9871  246.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7332  210.7578  247.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1926  209.6944  249.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8368  207.4840  250.1537 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6756  212.0600  252.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7533  205.8098  259.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3864  205.6428  261.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6633  208.7306  265.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6035  213.6745  263.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3319  211.3179  260.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2519  207.3879  261.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3657  210.9980  257.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0752  208.5579  256.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1462  208.3939  251.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.6473  212.6522  246.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.2104  211.3441  246.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.0746  209.4621  248.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.2931  206.6495  249.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 59  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  6  0  0  0
  7  8  1  0  0  0  0
  7 44  1  1  0  0  0
  8  9  1  0  0  0  0
  8 42  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  6  0  0  0
 18 19  1  0  0  0  0
 18 21  1  6  0  0  0
 18 22  1  0  0  0  0
 19 20  1  1  0  0  0
 20 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  6  0  0  0
 27 28  1  0  0  0  0
 27 34  1  6  0  0  0
 28 29  1  0  0  0  0
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 29 32  1  1  0  0  0
 30 31  1  6  0  0  0
 31 62  1  0  0  0  0
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 34 64  1  0  0  0  0
 35 36  1  0  0  0  0
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 36 38  1  0  0  0  0
 39 40  2  0  0  0  0
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 47 46  1  1  0  0  0
 47 52  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 58  1  1  0  0  0
 49 50  1  0  0  0  0
 49 57  1  6  0  0  0
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 51 52  1  0  0  0  0
 51 53  1  6  0  0  0
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 56 70  1  0  0  0  0
 57 71  1  0  0  0  0
 58 72  1  0  0  0  0
M  END
>  <CHROM.1>
109.46377211,-56.58513040,178.38093954,-178.14657679,164.54264946,175.57757281
168.27754119,63.94579358,128.07564577,63.85369252,-62.98487349,-59.71220877
-166.44450923,66.77016632,-130.26069607,179.01909747,62.08561705,-61.11639970
-60.39256578,-72.36163145,-175.54237633,55.73294455,173.62410276,176.95352892
-61.55238878,-63.14702366,-168.11500021,127.69136408,-175.89798454,192.29313344
209.52895608,256.44872066,-2.16821211,0.92707912,2.17121342

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448293/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-18.0093

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.386207

>  <SCORE.INTRA>
-40.4093

>  <SCORE.INTRA.DIHEDRAL>
-20.9178

>  <SCORE.INTRA.DIHEDRAL.0>
31.1026

>  <SCORE.INTRA.POLAR>
-2.36344

>  <SCORE.INTRA.POLAR.0>
-1.57205

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-21.9147

>  <SCORE.INTRA.VDW.0>
8.98008

>  <SCORE.INTRA.norm>
-0.696713

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
58

>  <SCORE.norm>
-0.310506

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012485

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  199.9242  185.6423  248.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2681  186.6709  249.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0005  187.2408  248.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7202  185.9012  250.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3215  187.7455  249.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2314  189.0492  249.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2063  190.0389  249.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2355  189.7572  250.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3359  188.5233  251.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3915  187.5224  250.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5608  186.3000  251.3142 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3950  188.3186  252.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2617  189.5794  252.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6929  188.0097  253.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3810  187.1832  251.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1352  191.3902  248.7482 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4287  191.2063  247.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6529  191.6518  246.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
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  201.9939  190.9671  244.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7725  190.5346  245.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4873  190.6534  246.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1530  190.7912  243.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4554  190.4447  242.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8616  192.1305  249.0099 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7549  193.4436  248.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6236  194.5651  248.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4037  194.7266  250.3291 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5735  193.4905  251.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6567  192.3955  250.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4368  185.6225  250.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 16  7  1  1  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
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 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
107.13986803,-69.22919241,0.48357921,43.96003547,-107.30958017,179.16125448
36.52732729,201.25877478,189.90337938,248.93157871,-0.01532555,1.56835620
-2.45732161

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448294/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7704

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-0.629579

>  <SCORE.INTRA.DIHEDRAL>
1.72198

>  <SCORE.INTRA.DIHEDRAL.0>
5.16917

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.49057

>  <SCORE.INTRA.VDW.0>
3.04453

>  <SCORE.INTRA.norm>
-0.020986

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.359014

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004353

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  199.6717  214.0814  261.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0909  215.4405  261.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2363  215.9827  260.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7147  217.3037  259.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8805  217.7392  258.7443 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0362  218.0045  260.8526 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8721  217.4766  262.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3702  216.2151  262.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1402  215.7802  263.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4566  216.5904  264.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9996  217.8519  264.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1823  218.2947  263.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3002  218.5846  265.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
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  196.3605  220.6519  264.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2619  220.4506  266.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
166.96938727,-1.35877544,197.69902074,217.59063801,262.78911750,-0.24929029
-1.08544568,2.22815538

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448295/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.25288

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.147118

>  <SCORE.INTRA.DIHEDRAL>
-1.11364

>  <SCORE.INTRA.DIHEDRAL.0>
1.43515

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.409702

>  <SCORE.INTRA.VDW.0>
-0.268108

>  <SCORE.INTRA.norm>
-0.0091949

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.453305

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001476

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  193.2859  223.7588  258.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6855  222.4473  258.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3349  222.6965  257.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6755  221.4038  257.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2965  221.6201  256.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5187  222.4870  255.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1283  222.0992  254.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0332  223.7623  255.2390 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2106  224.2804  256.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6644  225.3679  256.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9810  223.5174  257.2823 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3246  222.2044  257.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8583  221.5576  258.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7344  220.2501  255.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3834  220.3553  255.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1659  224.3191  254.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.3129  223.8842  257.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.64460856,-179.96536929,62.36724135,-179.35452801,189.46939415,222.53969416
256.62592542,0.17303219,-0.47590206,0.12673501

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448296/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.3882

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-0.011804

>  <SCORE.INTRA.DIHEDRAL>
-0.0166344

>  <SCORE.INTRA.DIHEDRAL.0>
0.0381173

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00348678

>  <SCORE.INTRA.VDW.0>
-0.414633

>  <SCORE.INTRA.norm>
-0.000786932

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.62588

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002380

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  208.0485  201.2405  247.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6577  200.3054  249.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3355  198.9451  248.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0010  200.8993  250.4588 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.6108  200.0331  251.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0456  200.5925  253.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7890  200.0159  253.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5448  201.8173  253.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5083  201.2800  250.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9182  202.4314  250.6772 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3736  200.2424  250.6411 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2413  202.1269  250.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8160  202.2144  254.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3291  200.4694  250.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3620  202.5124  251.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
178.70151286,175.84595327,111.53463068,175.79735764,-120.43420198,-179.30929311
-179.01931472,208.44803497,200.86224127,250.91050860,1.54166341,0.49380315
-1.64109813

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448297/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.9791

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-3.4209

>  <SCORE.INTRA.DIHEDRAL>
-2.67837

>  <SCORE.INTRA.DIHEDRAL.0>
4.4792

>  <SCORE.INTRA.POLAR>
-0.127822

>  <SCORE.INTRA.POLAR.0>
-0.581406

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.64712

>  <SCORE.INTRA.VDW.0>
1.61238

>  <SCORE.INTRA.norm>
-0.285075

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.498258

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003695

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  199.2329  213.8735  247.3137 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3343  214.9214  248.8197 Se  0  0  0  0  0  0  0  0  0  0  0  0
  197.9144  214.8694  249.6506 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4226  214.2551  249.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8167  216.6734  248.5460 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1390  213.9185  246.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7011  216.6224  248.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <CHROM.1>
-176.40546154,-58.46185130,199.35486986,214.92465925,248.81172028,-1.98113416
1.11278559,0.82490053

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448302/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.26613

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08

>  <SCORE.INTRA>
-0.133865

>  <SCORE.INTRA.DIHEDRAL>
-0.229885

>  <SCORE.INTRA.DIHEDRAL.0>
0.245463

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0189229

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.0267731

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.05323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.080081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  194.5620  214.5289  263.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5973  215.2831  263.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8085  214.1884  261.8205 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.7481  215.3960  260.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9273  214.6985  259.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0868  213.6735  260.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8465  214.0597  261.5211 P   0  0  0  0  0  0  0  0  0  0  0  0
  187.8306  214.1865  260.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8814  212.4887  262.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8500  211.5112  261.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9828  211.9683  262.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5704  214.4571  262.6966 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9700  214.3649  264.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0645  215.8235  262.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
179.90409181,-178.30393766,59.01683469,61.43285549,94.15353898,-105.62023044
1.79246584,190.08582765,214.04639455,261.94582924,0.04775238,0.16308475,1.80521902

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448306/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.9679

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-1.4321

>  <SCORE.INTRA.DIHEDRAL>
0.230673

>  <SCORE.INTRA.DIHEDRAL.0>
3.0746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.54743

>  <SCORE.INTRA.VDW.0>
0.98869

>  <SCORE.INTRA.norm>
-0.102293

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.783422

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031735

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  185.0006  215.4305  254.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2563  216.1496  255.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2761  216.6641  256.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5060  217.3764  257.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7768  216.6712  258.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9981  217.3822  260.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2767  216.6905  261.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2143  217.1032  261.8941 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9238  215.4518  261.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-120.65846069,-179.96786727,179.93895423,-101.59115944,184.00420461,216.53759726
258.82724568,-0.88384298,-1.13100873,2.12220716

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448307/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.26286

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-0.13714

>  <SCORE.INTRA.DIHEDRAL>
0.356942

>  <SCORE.INTRA.DIHEDRAL.0>
1.09749

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.31561

>  <SCORE.INTRA.VDW.0>
-0.0592826

>  <SCORE.INTRA.norm>
-0.0152377

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.02921

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047471

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  190.1816  207.9603  251.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0915  206.9743  251.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0142  207.5686  252.5425 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.8847  206.5833  252.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6253  207.9087  253.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9052  208.7732  254.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8560  209.2864  254.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5646  209.0886  255.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7481  207.7848  256.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4725  207.0093  257.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9465  209.7596  255.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9016  211.0744  254.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6991  210.0404  256.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6295  210.5067  256.3508 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2939  210.3955  257.9169 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5487  211.3267  258.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2574  211.6894  260.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
176.03220935,162.41492122,-3.99011239,-59.88863199,-58.71565576,60.50636052
-1.33794983,178.15743256,-179.78687496,188.26205814,209.05450573,255.34807612
-1.44159888,0.78132519,0.97462997

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448308/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.69252

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.847059

>  <SCORE.INTRA>
-6.70748

>  <SCORE.INTRA.DIHEDRAL>
-10.4628

>  <SCORE.INTRA.DIHEDRAL.0>
12.6076

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.4761

>  <SCORE.INTRA.VDW.0>
3.31475

>  <SCORE.INTRA.norm>
-0.394558

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.452501

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037189

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  206.9054  205.7771  250.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1708  204.5433  251.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1235  203.8594  250.5341 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.8685  202.5606  251.2017 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8937  202.0683  252.1536 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.3308  203.1251  251.8050 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.7310  200.6618  251.5461 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.7074  201.3628  250.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0109  201.0788  249.6491 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0802  199.6809  252.4693 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7632  199.1607  253.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9740  199.3250  253.7037 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8774  198.3795  254.5566 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7879  199.1250  255.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3262  198.5536  257.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3344  199.2615  258.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7976  200.5463  258.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2403  201.1182  257.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2338  200.4159  255.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5601  198.1087  253.9579 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5239  203.7851  249.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9061  204.2896  248.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5512  202.9456  248.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5079  204.9693  252.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0703  199.5870  252.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9954  197.6117  254.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6774  197.4725  253.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7711  202.8230  247.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  1  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  6  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
>  <CHROM.1>
-119.55234217,-73.35125808,-112.18297165,-115.47313053,-178.79120155,174.91549074
205.45051259,201.56122685,252.71904588,-1.13963133,1.27517663,1.76512546

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448309/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.66569

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-3.73431

>  <SCORE.INTRA.DIHEDRAL>
-1.47289

>  <SCORE.INTRA.DIHEDRAL.0>
5.20976

>  <SCORE.INTRA.POLAR>
-0.127962

>  <SCORE.INTRA.POLAR.0>
-0.00849708

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.56279

>  <SCORE.INTRA.VDW.0>
-1.35646

>  <SCORE.INTRA.norm>
-0.155596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.277737

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.093910

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  196.9259  218.5337  241.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0214  217.5959  241.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4584  216.4508  240.3471 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3217  215.4989  239.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9106  214.1899  240.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7395  213.1052  239.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0090  213.3029  239.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3448  214.6067  238.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4444  214.8648  237.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7068  216.1298  237.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8674  217.1878  237.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7639  216.9745  238.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4795  215.7135  239.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9003  212.0739  239.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4408  210.8769  239.2178 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3655  212.1171  239.1917 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.6155  213.0860  238.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0580  211.1295  238.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7706  211.2762  236.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0222  212.6460  236.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4871  213.0816  236.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4815  212.6233  234.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8606  211.8273  240.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2677  212.7978  241.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4592  214.2946  241.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6238  215.1560  242.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9360  214.6889  241.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4058  210.8443  239.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  1  16   1
M  END
>  <CHROM.1>
-179.59430665,137.15449149,21.29263608,-15.11853067,61.15558321,-56.31302379
54.77278552,64.91434543,-53.81238753,169.57183259,200.94055365,214.17331980
239.17939256,2.87411393,-0.84188923,1.79709352

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448310/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.99593

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.592308

>  <SCORE.INTRA>
-7.40407

>  <SCORE.INTRA.DIHEDRAL>
-10.1403

>  <SCORE.INTRA.DIHEDRAL.0>
16.817

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.33394

>  <SCORE.INTRA.VDW.0>
-1.35905

>  <SCORE.INTRA.norm>
-0.284772

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.307536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000397

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 29  0  0  0  0  0  0  0  0999 V2000
  189.6536  229.1997  266.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1270  227.8667  267.2603 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.8542  226.6272  266.7046 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3404  226.4780  267.1094 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2942  226.2281  265.9192 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.9628  224.9029  265.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0989  224.1314  265.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7624  224.5337  263.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8999  224.2998  262.8935 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8770  225.4614  262.4957 P   0  0  0  0  0  0  0  0  0  0  0  0
  191.4045  226.8533  262.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4274  225.1002  261.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5297  225.2576  263.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1521  227.3186  264.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8677  227.5740  267.8707 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1638  225.4388  267.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1280  227.8365  268.6937 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9364  229.1407  265.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0319  230.4071  264.8955 P   0  0  0  0  0  0  0  0  0  0  0  0
  192.1406  229.8162  265.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2641  229.7100  263.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1273  231.6736  264.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1924  225.1307  260.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.2186  224.3365  263.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4319  228.1240  265.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8813  228.3779  267.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6515  224.6821  266.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.5080  228.5168  269.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4374  228.7573  263.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6482  232.1747  263.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  1  0  0  0
  4  5  1  0  0  0  0
  4 15  1  6  0  0  0
  5  6  1  6  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
M  END
>  <CHROM.1>
41.41854335,-159.45359963,65.70994159,63.81580067,-129.38544202,179.28942188
-63.00343652,-65.90093850,-4.50587637,62.37099069,-123.98478079,55.08796512
38.59106189,-63.04227152,-49.50790214,64.03457502,-47.75930927,21.91458448
190.94800627,227.19741755,264.98182502,1.82435686,1.31696213,0.34202405

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448311/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.01413

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-17.4141

>  <SCORE.INTRA.DIHEDRAL>
-6.44087

>  <SCORE.INTRA.DIHEDRAL.0>
21.0839

>  <SCORE.INTRA.POLAR>
-3.86533

>  <SCORE.INTRA.POLAR.0>
-0.570263

>  <SCORE.INTRA.REPUL>
-0.011702

>  <SCORE.INTRA.REPUL.0>
0.0136978

>  <SCORE.INTRA.VDW>
-0.993049

>  <SCORE.INTRA.VDW.0>
-2.83493

>  <SCORE.INTRA.norm>
-0.791551

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
-0.0915513

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011660

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  220.0335  179.6381  251.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9216  179.4017  250.5949 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.4196  177.9534  250.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9166  176.8612  250.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4784  175.5582  250.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5421  175.3184  251.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0305  176.3830  252.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4569  177.6856  251.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7451  180.4030  250.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4648  180.0076  250.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3989  180.9131  250.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5979  182.2321  250.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8482  182.6479  251.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9115  181.7399  251.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3033  183.3617  250.4947 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.5181  179.4978  249.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6128  179.2136  248.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0835  179.7188  246.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0309  181.2648  246.8173 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.5864  181.7802  246.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6491  183.1014  247.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1107  183.2828  248.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6757  181.9254  247.9618 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1303  181.9964  247.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-95.48028027,-152.22968332,176.18508814,162.15895201,-69.24970785,-67.09322527
217.83459311,180.32229736,249.69021928,-1.30267661,0.62606899,-0.47392729

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448312/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.10632

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-3.29368

>  <SCORE.INTRA.DIHEDRAL>
2.02044

>  <SCORE.INTRA.DIHEDRAL.0>
1.55003

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.3039

>  <SCORE.INTRA.VDW.0>
2.94292

>  <SCORE.INTRA.norm>
-0.137236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.337764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007172

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  193.7136  215.9011  261.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3420  217.2852  262.2099 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.3012  217.0867  263.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4638  218.3824  264.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8113  218.9678  264.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4872  219.5864  264.9842 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2239  218.9476  262.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4479  218.3109  261.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2536  219.0307  260.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0455  219.6015  260.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9703  219.3052  261.4375 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.9641  217.7599  261.5826 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.7030  217.2009  262.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4751  217.7233  261.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3015  219.2409  261.6902 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6247  220.0561  261.4898 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.3514  221.1193  260.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8479  221.3399  260.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2979  219.9155  260.7010 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.1882  219.2490  259.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6282  219.6885  258.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5096  218.0721  259.3792 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9545  219.9352  261.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8078  219.4498  263.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4815  217.7043  258.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.6175  219.0196  261.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  1  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-107.05769874,-69.86016807,-179.76154969,191.26666098,218.87909449,261.63739900
-0.26187819,0.41002765,-2.16325112

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448313/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.13708

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-4.26292

>  <SCORE.INTRA.DIHEDRAL>
-8.1839

>  <SCORE.INTRA.DIHEDRAL.0>
8.92744

>  <SCORE.INTRA.POLAR>
0.453454

>  <SCORE.INTRA.POLAR.0>
-0.514947

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71272

>  <SCORE.INTRA.VDW.0>
1.10184

>  <SCORE.INTRA.norm>
-0.177622

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0890449

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000832

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  194.1013  205.5165  254.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9527  204.6957  255.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6351  203.4742  255.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4842  203.0341  254.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5880  203.8738  253.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9140  205.1020  253.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4882  203.4549  252.1095 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.1786  201.6936  254.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5178  200.5392  253.5828 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.9536  201.7843  254.6781 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.3341  202.5338  257.1223 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
110.90838638,195.65069724,202.78712455,254.46311248,2.95005792,-0.89596286
2.34524932

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448322/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33345

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0665544

>  <SCORE.INTRA.DIHEDRAL>
-0.0157593

>  <SCORE.INTRA.DIHEDRAL.0>
0.756515

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0586748

>  <SCORE.INTRA.VDW.0>
-1.75857

>  <SCORE.INTRA.norm>
-0.0060504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.575768

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000401

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  208.0374  199.9703  245.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6874  198.9273  246.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3004  197.6062  245.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2608  197.3152  245.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6072  198.3724  244.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9971  199.6931  244.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8398  195.8829  244.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8249  195.4156  245.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7081  196.3157  246.0909 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7490  197.4858  246.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6421  197.9425  247.4683 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4993  198.2422  246.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8107  197.4942  245.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5722  196.2700  245.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2512  195.4172  244.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3312  197.8495  244.8759 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.2847  199.4934  247.0381 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2116  200.5547  246.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1735  200.8842  247.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0898  201.9130  247.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0361  202.6267  246.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0239  202.3839  245.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1077  201.3556  245.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2925  203.8146  246.0530 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.7289  205.1430  246.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5081  203.4503  246.7421 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5638  203.4947  244.4258 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0678  199.4108  248.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.8882  202.5367  244.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7478  203.7451  243.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
85.32256160,48.05564819,-73.78845451,55.50656143,-97.88590151,-110.39279461
-61.08071869,205.50667896,199.61905113,245.86403540,-1.10799032,-0.02242074
-3.03434294

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448323/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.59013

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-5.80987

>  <SCORE.INTRA.DIHEDRAL>
-1.80449

>  <SCORE.INTRA.DIHEDRAL.0>
8.79811

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.90763

>  <SCORE.INTRA.VDW.0>
-2.63161

>  <SCORE.INTRA.norm>
-0.21518

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.244079

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000700

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  211.5713  206.3892  251.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6468  206.2257  250.6968 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6804  207.1940  250.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6637  208.1885  251.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7935  207.0134  249.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2305  208.0502  248.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1182  207.5251  247.5790 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.4708  205.8878  247.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3212  205.7182  248.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5585  204.3659  249.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4150  203.2197  248.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5846  201.9388  249.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9192  201.7909  250.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0703  202.9044  251.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8747  204.1808  250.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0885  200.5640  251.1140 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.3766  209.4269  248.7576 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1628  210.0597  247.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7176  210.5959  246.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6699  210.0761  248.1351 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.8747  211.1160  249.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3303  211.2445  249.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8578  209.9061  250.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6888  208.8287  249.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2438  208.6957  248.5578 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.2585  207.7271  247.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1553  208.0649  246.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3562  206.4249  247.7340 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6046  209.9672  249.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.4182  206.2465  248.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
6.25332003,-145.19145215,100.73755261,-158.91499743,98.40197248,-74.58272319
16.84373237,-0.77334624,209.70100692,206.92795459,249.16408300,-1.86767785
-0.61478858,-0.41999924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448324/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.55408

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-7.84592

>  <SCORE.INTRA.DIHEDRAL>
-4.9677

>  <SCORE.INTRA.DIHEDRAL.0>
13.7524

>  <SCORE.INTRA.POLAR>
-0.335283

>  <SCORE.INTRA.POLAR.0>
-0.664717

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.22211

>  <SCORE.INTRA.VDW.0>
-1.10146

>  <SCORE.INTRA.norm>
-0.280211

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.162646

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000090

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  211.4632  188.3286  256.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5424  188.2903  255.2282 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5643  188.9653  253.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7630  188.7267  253.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0668  189.2690  252.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0911  190.0880  251.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8680  190.3176  252.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6002  189.7675  253.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4926  190.8130  249.9208 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.9360  190.7989  249.8322 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6568  190.1289  248.9594 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0003  192.3982  249.9941 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6974  192.8666  249.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0106  194.2939  249.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9924  194.7643  250.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7644  193.4988  250.6289 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.8157  193.3704  252.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5608  192.2114  252.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4751  191.8821  253.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3927  192.1834  254.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4018  191.7945  256.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4858  191.0891  256.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5547  190.7578  255.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5468  191.1501  254.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5675  187.8379  254.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6644  187.4081  253.9064 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7122  187.5765  255.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0473  186.8812  256.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-21.73264737,-93.58533476,65.93273992,-169.44829935,27.35672616,213.53045501
190.63126944,252.73606424,0.91010840,1.38462064,2.85714245

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448325/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.59555

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-4.80445

>  <SCORE.INTRA.DIHEDRAL>
0.504044

>  <SCORE.INTRA.DIHEDRAL.0>
3.40084

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.05647

>  <SCORE.INTRA.VDW.0>
-1.36144

>  <SCORE.INTRA.norm>
-0.171587

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.199841

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001973

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  203.0516  203.0576  247.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7392  203.3303  248.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0273  203.2325  249.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6634  203.4571  250.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0226  203.7903  250.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7167  203.9382  249.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0851  203.6976  248.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7023  203.9995  252.1144 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.6450  205.1296  252.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8920  204.7385  252.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9911  205.5418  252.2007 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7582  206.7492  251.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5111  207.2565  251.5473 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3794  206.5190  251.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2519  206.9836  251.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0256  203.3850  252.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6622  202.8587  252.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3221  202.4675  254.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6763  201.5716  251.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3819  208.2203  251.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  6  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
-140.06508266,206.02721620,204.30451116,251.11351766,3.05890527,0.81172753
2.74446719

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448326/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.18545

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-0.21455

>  <SCORE.INTRA.DIHEDRAL>
-0.00772318

>  <SCORE.INTRA.DIHEDRAL.0>
0.714565

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.210688

>  <SCORE.INTRA.VDW.0>
-1.20951

>  <SCORE.INTRA.norm>
-0.0112921

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.32555

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000398

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  193.8104  219.2352  254.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7436  218.9587  255.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0916  218.6225  255.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3908  218.7727  257.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3657  219.1084  258.0806 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3741  219.2470  257.1855 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6174  218.7495  257.8647 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7095  218.4504  257.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5886  218.2975  255.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2051  218.5164  254.9812 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0565  217.4083  254.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6912  216.0892  254.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6840  215.2250  253.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0680  215.6962  251.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4880  217.0230  251.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5109  217.9051  252.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6116  219.3697  252.7433 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9463  219.6941  253.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3441  220.7478  254.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7966  220.2122  252.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1900  220.1022  252.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2919  220.5572  253.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5563  220.1117  252.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7472  219.1894  251.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6519  218.6921  251.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3839  219.1453  251.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6215  220.5212  253.4944 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.7829  217.7319  254.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7327  217.0972  253.8928 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9801  217.9646  255.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1199  217.4208  254.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8685  218.2765  257.7798 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4870  219.6201  257.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6664  218.1366  257.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0399  219.0453  258.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 28  1  0  0  0  0
 10  9  1  1  0  0  0
 10  3  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <CHROM.1>
-175.28822090,152.04231780,44.23979403,-150.28563668,178.97699179,198.50752052
218.59973511,254.40697399,2.69607695,0.20937605,1.35419855

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448327/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.03417

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-3.36583

>  <SCORE.INTRA.DIHEDRAL>
-1.97151

>  <SCORE.INTRA.DIHEDRAL.0>
5.3535

>  <SCORE.INTRA.POLAR>
-0.146661

>  <SCORE.INTRA.POLAR.0>
-0.630113

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.88143

>  <SCORE.INTRA.VDW.0>
1.47869

>  <SCORE.INTRA.norm>
-0.105182

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.219818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000209

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  209.2043  187.2706  248.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5500  186.7671  249.8380 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5413  187.1475  250.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8810  186.8238  250.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2419  185.7959  251.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4795  185.9753  251.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3578  186.9176  251.6448 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0939  187.7717  250.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1357  188.6360  250.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0243  189.6036  249.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8312  189.7203  248.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7688  188.8630  248.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8645  187.8235  249.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8784  185.1459  253.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1133  184.0721  253.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9389  183.7889  252.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5121  184.6157  251.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3321  184.1403  250.9962 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.4609  183.5727  251.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2585  184.1334  249.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1575  185.0842  249.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-151.93655766,-73.04060295,211.20931902,186.37241793,250.75377654,0.92924651
-0.42788971,-0.69802696

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448328/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.18049

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-1.21951

>  <SCORE.INTRA.DIHEDRAL>
-2.40002

>  <SCORE.INTRA.DIHEDRAL.0>
3.46012

>  <SCORE.INTRA.POLAR>
-0.316651

>  <SCORE.INTRA.POLAR.0>
-0.683055

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.05712

>  <SCORE.INTRA.VDW.0>
0.843743

>  <SCORE.INTRA.norm>
-0.0609753

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.259025

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.157154

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  221.6872  181.4883  241.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6224  181.8141  242.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9197  182.4275  243.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0599  183.6199  243.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8897  181.4653  243.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.1332  181.9275  243.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1838  181.1195  243.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <CHROM.1>
105.21658064,-179.81336738,179.91760004,223.47541934,181.98903814,243.06930162
-3.03726328,-0.42427352,0.51242111

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448329/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.52949

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-0.870512

>  <SCORE.INTRA.DIHEDRAL>
0.235983

>  <SCORE.INTRA.DIHEDRAL.0>
1.09603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.988503

>  <SCORE.INTRA.VDW.0>
1.18712

>  <SCORE.INTRA.norm>
-0.124359

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.07564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.076017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  198.0356  200.4609  247.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6091  200.0101  247.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8256  199.8504  246.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4818  199.4301  246.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8982  199.1469  247.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6786  199.3830  248.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0178  199.7907  248.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5492  198.7132  247.5369 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9502  198.3279  248.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4820  198.2518  249.8750 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6312  197.9502  248.5834 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9480  197.9632  247.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3021  198.3578  246.2454 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6741  197.5122  247.4753 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6706  199.3205  244.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0148  197.3997  249.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.7247  198.2700  250.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2780  198.6458  246.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.7068  199.0903  245.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.4837  196.9518  246.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.9851  198.2454  247.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <CHROM.1>
174.39248757,-81.19468301,0.15133161,2.38051319,-138.30921539,193.22080593
198.93762283,247.48643984,-0.11196495,0.29419386,1.71445770

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448330/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.81665

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-8.58335

>  <SCORE.INTRA.DIHEDRAL>
-18.1848

>  <SCORE.INTRA.DIHEDRAL.0>
19.7215

>  <SCORE.INTRA.POLAR>
-0.12561

>  <SCORE.INTRA.POLAR.0>
-0.53548

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.936142

>  <SCORE.INTRA.VDW.0>
-1.14201

>  <SCORE.INTRA.norm>
-0.572223

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.12111

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000357

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  200.6370  200.8062  241.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5550  200.3581  243.2609 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5147  199.2462  243.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1183  198.0565  244.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2815  196.8219  244.3844 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.6298  195.7447  245.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0980  196.5716  243.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5678  197.6458  245.7498 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.8485  201.4357  244.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8378  202.1289  244.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6577  201.8437  244.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3232  203.1452  245.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3817  203.9961  246.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5820  203.1949  247.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2238  205.0409  246.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4686  204.7485  245.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7769  201.8237  244.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
-122.46898963,98.41249314,170.31385544,-179.93844098,62.67681513,201.01346570
200.16285906,244.80928457,2.50162977,-1.01106929,1.03738526

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448331/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3209

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-0.0791386

>  <SCORE.INTRA.DIHEDRAL>
0.0948895

>  <SCORE.INTRA.DIHEDRAL.0>
2.08561

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.126583

>  <SCORE.INTRA.VDW.0>
-0.0300223

>  <SCORE.INTRA.norm>
-0.00494616

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.645054

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006249

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  209.8601  179.8933  246.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8841  181.4168  246.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6368  181.9470  245.1427 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.7586  183.7849  245.1835 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.5798  184.3742  246.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6854  185.1726  246.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7922  185.8891  248.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7395  185.7811  248.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6291  184.9655  248.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5375  184.2562  247.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3579  184.8381  249.8265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.6106  185.1162  245.8394 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1793  184.2823  244.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8248  184.0452  243.7977 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7059  184.2676  244.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6183  185.7825  243.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3439  186.5222  245.1767 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8257  187.9209  245.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0814  188.8785  244.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6245  188.8368  244.4356 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0487  187.4769  244.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8940  186.5679  245.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8087  189.9612  244.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4085  191.1146  243.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6872  192.2566  243.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3152  192.2767  243.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6556  191.1738  244.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2530  191.2453  244.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5219  190.1984  244.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1927  189.0891  245.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5878  189.0199  245.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3803  190.0160  244.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5041  185.5859  245.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 32  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-179.67574663,-55.58591628,-177.21332574,-57.65170102,153.89346604,8.01026423
206.73081908,186.46876475,245.61096116,0.66189645,-0.66213552,2.19871341

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448332/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.96346

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-2.43654

>  <SCORE.INTRA.DIHEDRAL>
-2.09198

>  <SCORE.INTRA.DIHEDRAL.0>
3.85542

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.39055

>  <SCORE.INTRA.VDW.0>
-0.684344

>  <SCORE.INTRA.norm>
-0.0761418

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.280108

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000941

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  221.7845  177.9581  247.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2989  179.4057  247.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8033  179.4170  247.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6094  180.1535  248.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3053  181.6413  248.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3346  182.1383  249.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2456  182.5004  248.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <CHROM.1>
173.72529002,105.85879238,221.17961491,180.46396615,248.31950039,-1.60281579
0.06757185,0.33219184

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448333/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.05099

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.349008

>  <SCORE.INTRA.DIHEDRAL>
-0.485238

>  <SCORE.INTRA.DIHEDRAL.0>
1.91959

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.106389

>  <SCORE.INTRA.VDW.0>
-0.054215

>  <SCORE.INTRA.norm>
-0.0498583

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.00728

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040917

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  225.2779  190.6682  251.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4039  191.5749  251.0927 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2518  191.8722  251.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4335  192.9184  251.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1435  194.2600  251.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4102  194.2118  250.4034 N   0  3  0  0  0  0  0  0  0  0  0  0
  224.9176  193.3319  250.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.2199  194.2131  249.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.2944  195.3956  250.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6518  195.1519  250.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1696  193.9396  250.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.4509  193.5920  250.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.0110  192.2990  250.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1042  191.2187  250.3688 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.5121  189.9856  250.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2701  189.8300  251.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6508  188.5685  252.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.2869  187.4372  251.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5499  187.5725  250.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1705  188.8450  250.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1717  188.9640  248.4825 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  1   6   1
M  END
>  <CHROM.1>
176.03628581,-72.02004086,67.38513101,-42.37547954,170.11515911,-57.73521861
179.31865994,179.83079327,59.27552820,179.15749326,32.34580473,226.76222387
191.07808383,250.36134540,2.19424305,-0.07653640,0.19481936

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448334/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.8888

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.863158

>  <SCORE.INTRA>
-4.5112

>  <SCORE.INTRA.DIHEDRAL>
2.27394

>  <SCORE.INTRA.DIHEDRAL.0>
0.81121

>  <SCORE.INTRA.POLAR>
-0.882903

>  <SCORE.INTRA.POLAR.0>
-0.035747

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.64631

>  <SCORE.INTRA.VDW.0>
1.47793

>  <SCORE.INTRA.norm>
-0.237432

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.625726

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000800

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  205.7111  197.0103  250.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5447  195.7386  250.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5431  195.6787  251.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4703  196.8990  251.2298 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.5519  198.1230  251.3879 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.5964  198.2555  250.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5144  199.2735  251.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6915  198.6360  252.3785 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.5092  197.1605  252.2433 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3494  196.3111  252.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1849  196.7762  253.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2713  194.8115  252.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7504  194.2821  251.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2715  194.4956  251.1774 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.8136  193.8913  249.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2948  194.5317  248.9426 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7297  192.5351  249.7811 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6072  195.9251  251.1905 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8329  196.3779  251.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6779  195.6919  252.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9535  197.6752  251.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1656  198.3165  251.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3424  198.3783  253.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4554  199.1062  253.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7058  199.2672  255.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8404  198.7015  255.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7227  197.9652  255.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4746  197.8031  253.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0329  199.1628  251.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7264  200.0288  252.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4431  198.5337  250.6803 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0870  192.1986  248.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.9659  196.6136  250.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3603  198.7949  250.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <CHROM.1>
101.94881311,69.67506705,66.07104933,176.28242116,116.32485386,150.76277544
-179.59515052,177.21064987,-62.51480889,-63.78393184,-171.48772995,211.65993395
196.97398772,251.90972426,2.84306150,0.23718161,-2.60336135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448335/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.95568

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-16.3557

>  <SCORE.INTRA.DIHEDRAL>
-11.0731

>  <SCORE.INTRA.DIHEDRAL.0>
16.6946

>  <SCORE.INTRA.POLAR>
-0.844574

>  <SCORE.INTRA.POLAR.0>
-0.438295

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.94759

>  <SCORE.INTRA.VDW.0>
1.72851

>  <SCORE.INTRA.norm>
-0.527603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
-0.0630865

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035816

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  199.1765  219.6314  264.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2957  220.6883  263.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9701  220.1462  261.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6595  220.1832  261.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3631  219.6975  260.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3737  219.1632  259.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6865  219.1304  259.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9814  219.6191  260.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1164  218.7199  257.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2983  217.9986  256.8434 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.7976  218.8760  257.3659 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0282  217.7627  256.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7837  217.9223  255.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1779  219.2900  255.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0382  220.4117  255.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2732  220.2144  257.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
90.06544256,-176.58972428,197.84205211,219.23298229,258.71518563,1.13712070
-0.42585099,1.21151759

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448336/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.14449

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-1.25551

>  <SCORE.INTRA.DIHEDRAL>
-3.42483

>  <SCORE.INTRA.DIHEDRAL.0>
4.2145

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.456908

>  <SCORE.INTRA.VDW.0>
-0.865511

>  <SCORE.INTRA.norm>
-0.0784693

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.384031

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007479

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 23  0  0  0  0  0  0  0  0999 V2000
  204.3470  185.9198  241.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8726  185.9008  240.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5469  185.0086  242.0059 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3748  183.5232  241.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2874  182.7806  241.3133 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1098  183.0611  241.8321 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9857  185.3221  242.1081 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6253  185.2378  243.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8375  184.1895  243.9289 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0996  186.5687  243.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0281  187.2236  244.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8540  187.6630  243.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7374  187.1676  243.9855 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1492  188.6438  243.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7231  187.0312  240.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2107  188.3822  240.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9802  189.1254  240.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6967  188.8773  241.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7408  188.3979  242.5669 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4567  189.9007  242.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0397  182.1095  241.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5728  184.9852  241.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3887  188.9745  242.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0916  190.2284  243.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
167.39635745,-60.57555642,74.85852244,112.48750756,145.91945797,-178.15630750
68.67507812,90.10635854,-68.67579336,113.30375144,-176.89163787,109.26574411
-15.65580124,178.06370521,206.06901507,186.50306714,242.28192635,2.44878286
-0.61302147,0.34746988

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448337/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.04797

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.82

>  <SCORE.INTRA>
-8.35203

>  <SCORE.INTRA.DIHEDRAL>
0.837991

>  <SCORE.INTRA.DIHEDRAL.0>
9.4657

>  <SCORE.INTRA.POLAR>
-0.58309

>  <SCORE.INTRA.POLAR.0>
-0.41691

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.78852

>  <SCORE.INTRA.VDW.0>
1.58748

>  <SCORE.INTRA.norm>
-0.417601

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.402399

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  209.1976  236.3574  304.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8719  234.9306  304.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7437  234.1670  303.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3932  232.8725  302.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1761  232.3314  303.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3376  233.0539  304.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6856  234.3505  304.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4949  230.9114  302.4591 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.5292  229.9030  302.3945 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2503  230.6615  303.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1542  231.3698  300.8180 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7784  230.1802  299.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0837  230.4178  298.4433 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.5430  230.6610  298.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3889  231.3811  296.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1955  232.2693  297.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3535  231.5587  297.9505 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0603  232.4074  300.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5479  233.8125  300.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9234  234.7492  301.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5270  236.0617  301.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9412  237.0206  302.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5730  238.2526  302.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7768  238.5374  302.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3616  237.5906  301.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7398  236.3570  301.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3541  235.3800  300.4595 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8588  234.1168  300.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4919  233.2638  299.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2324  235.5673  299.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 13 12  1  1  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
50.98884004,170.66424850,-154.31947552,86.20048589,61.28987674,-139.55955924
207.59713650,233.40277581,301.37546043,-1.09136756,1.46843115,-3.04400858

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448346/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.89147

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-4.50853

>  <SCORE.INTRA.DIHEDRAL>
1.50374

>  <SCORE.INTRA.DIHEDRAL.0>
2.22937

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.2604

>  <SCORE.INTRA.VDW.0>
-2.89082

>  <SCORE.INTRA.norm>
-0.155467

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.237637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001046

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  221.8450  191.7715  245.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3116  190.9979  247.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7471  189.6410  246.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1950  188.8956  247.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5612  187.5523  247.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0153  186.9076  248.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2403  185.6155  248.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5969  185.0389  249.9326 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.6989  183.8036  249.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4146  182.6734  248.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7313  184.5897  250.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2493  184.0975  252.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7139  186.1515  250.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6928  186.7557  249.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0583  188.0051  250.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3450  188.8107  249.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3115  189.3096  248.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3788  188.6892  246.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2654  189.1606  245.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0786  190.2585  246.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0159  190.8835  247.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1322  190.4135  248.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1697  190.8347  244.9676 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
-178.93078998,177.54324543,-178.75244896,174.69898021,-175.47253360,174.37499241
56.82051327,175.94013222,53.07011717,-169.15623978,164.36252409,-63.12003729
104.15492496,217.76485723,187.99058815,248.16750963,-1.33722364,-0.11316216
2.56678798

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448347/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.2116

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-1.1884

>  <SCORE.INTRA.DIHEDRAL>
1.53214

>  <SCORE.INTRA.DIHEDRAL.0>
1.10787

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.95447

>  <SCORE.INTRA.VDW.0>
4.21991

>  <SCORE.INTRA.norm>
-0.0516695

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.74833

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047984

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  222.0181  181.3671  243.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0740  181.4177  242.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4533  181.1297  241.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5022  181.1812  240.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8874  180.8973  238.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8932  180.9546  237.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6298  181.6520  245.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5657  181.5956  246.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1653  181.8799  247.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1059  181.8207  248.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6819  182.0909  249.9704 F   0  0  0  0  0  0  0  0  0  0  0  0
  223.4664  180.7719  237.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.92249294,-179.86873242,179.89784727,-179.89399550,179.98797936,-179.82984357
-179.96540326,-179.90290822,-179.46379676,222.45265493,181.46257973,243.97127997
1.39165782,-0.18178568,-1.69773119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448348/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.8796

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.21818

>  <SCORE.INTRA>
-0.52039

>  <SCORE.INTRA.DIHEDRAL>
-0.00899629

>  <SCORE.INTRA.DIHEDRAL.0>
0.0104604

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.515892

>  <SCORE.INTRA.VDW.0>
-0.596248

>  <SCORE.INTRA.norm>
-0.0473082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
1.17087

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021222

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  213.7193  184.8233  247.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2345  185.0961  247.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9893  184.8496  248.4575 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0759  184.2176  249.7002 P   0  0  2  0  0  0  0  0  0  0  0  0
  215.7946  183.2591  250.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8776  183.3224  249.0712 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4058  183.4661  247.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2280  185.6278  250.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3019  186.1565  249.8996 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5732  186.2659  251.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7258  185.7550  252.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1652  186.2346  253.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4735  187.2739  254.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3575  187.8284  253.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9032  187.3350  252.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3657  188.4191  251.4922 I   0  0  0  0  0  0  0  0  0  0  0  0
  217.2600  185.7418  248.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8518  187.1105  249.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7882  187.9039  248.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2880  188.9936  249.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9308  189.4105  250.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1103  188.7810  251.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5538  187.6437  250.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4072  185.0168  249.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5954  184.4911  249.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5806  183.8218  249.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3569  183.5269  251.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1549  183.9144  251.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2112  184.6603  250.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9665  186.0918  247.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2276  185.1075  246.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9542  185.4150  245.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4773  186.6928  244.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2747  187.6705  245.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5250  187.3768  247.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  1  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 17 30  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
86.70045908,72.30749701,2.88715991,-49.12616258,104.69603144,-47.48179165
215.62613068,186.35679545,250.00297592,0.58183729,0.43502089,-1.63491471

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448349/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.64052

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325714

>  <SCORE.INTRA>
-3.75948

>  <SCORE.INTRA.DIHEDRAL>
-5.88689

>  <SCORE.INTRA.DIHEDRAL.0>
15.0793

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.81604

>  <SCORE.INTRA.VDW.0>
-8.44727

>  <SCORE.INTRA.norm>
-0.107414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.2183

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001640

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 44  0  0  0  0  0  0  0  0999 V2000
  203.6207  206.7256  251.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7905  206.1011  252.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9147  207.0640  253.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1127  206.5822  254.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7951  207.0750  254.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0058  206.6268  255.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4799  205.7031  256.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7584  205.1847  256.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5628  205.6214  255.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6015  205.2818  257.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6247  206.2533  259.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2640  207.6324  258.7848 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2246  208.2860  259.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5080  207.7244  260.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9690  209.7425  259.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5702  210.1072  257.2711 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.2005  210.1864  256.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1963  209.5470  257.2262 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2421  209.6861  256.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9144  210.4260  255.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6057  210.8158  255.4886 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8731  211.7584  254.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9432  212.7004  255.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5807  212.8246  255.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7334  213.6590  255.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2263  214.3908  256.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5761  214.3050  257.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4278  213.4722  256.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0916  213.4303  256.9352 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.8277  210.6431  254.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5462  211.3224  253.2233 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0576  210.0027  254.3926 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4349  209.2604  255.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5501  208.7380  255.6228 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4855  209.1326  256.5435 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8257  208.3695  257.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0423  210.0701  253.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3244  207.9793  253.7910 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8939  208.0502  253.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4524  209.0129  252.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8935  208.1848  258.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 35  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 28  1  0  0  0  0
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 24 25  1  0  0  0  0
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 27 28  2  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <CHROM.1>
179.75518690,-143.10428852,157.92901315,-83.15823929,56.48110479,121.82095421
60.68857362,-83.85971149,25.80459381,34.61393482,-125.82947514,-177.43423988
199.27662578,209.42539560,255.91135567,-0.50999767,0.72545691,-0.49419892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448350/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.11929

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435

>  <SCORE.INTRA>
-14.2807

>  <SCORE.INTRA.DIHEDRAL>
3.43583

>  <SCORE.INTRA.DIHEDRAL.0>
6.73746

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-1.54646e-05

>  <SCORE.INTRA.REPUL.0>
1.54646e-05

>  <SCORE.INTRA.VDW>
-12.5986

>  <SCORE.INTRA.VDW.0>
1.27273

>  <SCORE.INTRA.norm>
-0.357018

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.0779821

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  200.1125  204.9434  246.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8491  204.8795  245.4368 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0556  203.5392  245.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4148  202.7963  246.1946 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4523  203.7177  247.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0040  203.3727  248.5111 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9716  202.7581  249.3860 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.4471  201.4285  249.8002 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3564  201.5635  248.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8017  201.2210  249.2113 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1091  202.4118  248.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
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  202.7593  199.6334  250.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9218  198.3656  249.6774 P   0  0  1  0  0  0  0  0  0  0  0  0
  203.0655  197.4164  250.8736 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3108  198.4291  249.4298 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0842  197.0978  248.5115 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1199  197.7778  246.9212 P   0  0  1  0  0  0  0  0  0  0  0  0
  203.5784  196.4268  246.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4789  197.6229  246.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1556  198.4579  245.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0519  200.1814  245.4383 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.4994  200.3514  243.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
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  202.9482  201.9050  245.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9130  203.0224  243.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1167  201.8637  243.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5263  203.9715  242.8286 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8507  198.7106  250.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1172  197.9924  247.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1368  200.6539  244.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3642  202.0588  246.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3838  204.9283  243.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4253  203.7131  241.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  1  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  6  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 22 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  1  0  0  0  0
M  END
>  <CHROM.1>
177.78188633,104.30557818,76.51118418,56.99525719,167.33625694,-30.15460775
-179.75067158,167.89103760,48.44825247,6.45577002,165.28905125,-123.29623515
-167.90950418,201.75638643,200.58623660,247.16438402,2.50568722,1.10063082
-1.47356567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448351/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-11.4107

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-25.8107

>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-3.49407

>  <SCORE.INTRA.POLAR.0>
-0.0449031

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.3509

>  <SCORE.INTRA.VDW.0>
3.74158

>  <SCORE.INTRA.norm>
-0.921812

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
-0.407526

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  200.5360  222.4306  245.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4049  222.0751  247.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7201  222.2128  248.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2577  223.2754  248.3685 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3714  220.8889  248.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8549  219.8170  248.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5308  221.0797  249.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2287  219.8787  249.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4872  220.2223  250.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4648  221.1464  249.5336 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4122  221.8588  250.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2829  220.3581  248.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4581  220.0188  247.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9403  221.2339  246.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7621  221.3114  245.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8153  220.1561  245.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3006  222.6082  245.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
71.83193981,1.20648615,-177.29563146,-177.21989239,-58.55402626,159.21821975
75.58186994,60.03422821,-146.11742554,204.02073715,221.21746522,247.91924858
-2.73748823,-0.17568689,1.68975953

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448352/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.90891

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.582877

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022496

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 73 80  0  0  0  0  0  0  0  0999 V2000
  200.9570  201.5734  241.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9007  200.6088  240.4782 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5183  200.7835  238.9973 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5821  200.2262  238.0305 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.0928  198.8380  238.4471 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3517  198.7764  239.9752 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2517  199.2506  240.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8015  197.5408  240.5195 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0771  197.4339  241.9241 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5346  195.9728  242.1492 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.9665  195.7640  241.6219 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9087  196.7388  242.1760 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5436  198.1199  241.8261 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1370  198.4362  242.4898 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.3311  198.2932  243.8974 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0194  199.2601  244.6934 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7069  198.8500  246.1416 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.1879  197.4003  246.2750 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7108  197.3736  246.0748 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0666  198.0081  244.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4308  199.2717  244.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3456  198.0533  247.1696 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7472  196.8573  247.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3046  198.9404  246.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6993  199.0418  241.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8224  200.3593  241.2675 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5652  201.2654  241.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3766  201.9754  243.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6566  202.9194  243.5208 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.7020  201.7364  243.2399 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0687  201.1900  241.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3115  200.2732  241.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4757  202.3598  240.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8819  201.9110  244.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3289  201.9700  245.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5293  203.1713  246.2759 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3270  203.8116  245.0103 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.4990  205.0174  245.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7985  205.1328  247.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6631  203.9268  247.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7414  202.8996  247.6870 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.1468  203.2581  249.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8664  203.2445  250.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5192  204.2415  249.8971 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4537  203.7393  248.4664 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6928  202.3945  248.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4042  202.7388  247.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9180  204.0168  248.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7231  204.2528  249.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7719  202.8723  246.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4104  201.5856  247.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2204  204.1667  251.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8276  203.1938  252.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4675  205.3505  252.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4443  201.3893  247.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7508  204.0787  246.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2372  204.1854  242.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3873  194.3183  241.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2755  193.9600  242.7073 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6333  193.4028  241.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5996  195.0852  241.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1075  197.8867  238.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0338  200.0960  236.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2365  202.1355  238.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1360  197.5883  248.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0677  195.9375  247.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8718  198.3744  245.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7679  206.0525  251.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.9491  192.4985  241.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9540  194.1805  241.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2988  198.1312  238.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2654  199.4947  236.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9783  202.1787  237.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 64  1  6  0  0  0
  4  5  1  0  0  0  0
  4 63  1  6  0  0  0
  5  6  1  0  0  0  0
  5 62  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 61  1  6  0  0  0
 11 12  1  0  0  0  0
 11 58  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  1  0  0  0
 14 15  1  1  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  6  0  0  0
 18 19  1  0  0  0  0
 18 23  1  1  0  0  0
 19 20  1  0  0  0  0
 19 22  1  1  0  0  0
 20 21  1  0  0  0  0
 22 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 67  1  0  0  0  0
 26 25  1  1  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 37  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  6  0  0  0
 30 31  1  0  0  0  0
 30 34  1  6  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  1  0  0  0  0
 36 56  1  1  0  0  0
 37 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 45  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 55  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 49  1  0  0  0  0
 44 45  1  0  0  0  0
 44 52  1  6  0  0  0
 45 46  1  1  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 50  1  0  0  0  0
 47 51  1  0  0  0  0
 48 49  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 68  1  0  0  0  0
 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
 60 69  1  0  0  0  0
 61 70  1  0  0  0  0
 62 71  1  0  0  0  0
 63 72  1  0  0  0  0
 64 73  1  0  0  0  0
M  END
>  <CHROM.1>
-178.43410633,-58.96106617,-62.47882128,179.00467034,179.95028318,172.30685681
-114.61796661,162.08518698,-166.28628905,167.72409438,56.34065744,179.52382667
61.54796392,47.78666528,-70.04235218,1.28993209,179.65560176,204.08236597
200.42087803,244.24343671,2.18729598,1.02586947,-2.68706236

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448353/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-12.5527

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.209375

>  <SCORE.INTRA>
-25.9527

>  <SCORE.INTRA.DIHEDRAL>
-37.9858

>  <SCORE.INTRA.DIHEDRAL.0>
47.1693

>  <SCORE.INTRA.POLAR>
0.0332084

>  <SCORE.INTRA.POLAR.0>
-0.783053

>  <SCORE.INTRA.REPUL>
-0.202244

>  <SCORE.INTRA.REPUL.0>
0.202244

>  <SCORE.INTRA.VDW>
-6.06144

>  <SCORE.INTRA.VDW.0>
-1.16998

>  <SCORE.INTRA.norm>
-0.40551

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
64

>  <SCORE.norm>
-0.196135

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046925

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  217.1759  188.2355  248.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7568  188.3388  249.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7182  187.7261  248.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0604  187.7225  247.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2897  186.6681  246.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4370  185.4288  247.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0213  185.3641  248.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6098  186.5970  249.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1903  186.7774  250.7004 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7115  188.0538  250.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6426  188.6534  251.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8763  190.1041  251.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9767  190.6060  251.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8629  189.7307  252.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8258  188.3947  252.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9561  187.9079  251.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5121  187.1728  250.4943 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.8761  187.0064  249.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8778  185.9069  248.6880 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3669  186.6928  245.9464 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3202  187.7641  245.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7380  185.5322  245.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9305  187.3741  244.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9749  185.8743  245.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
9.38017780,155.14628221,162.40945151,215.63447993,187.51491979,249.16455714
0.51594421,-0.66919292,0.32407685

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448362/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.93566

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-2.46434

>  <SCORE.INTRA.DIHEDRAL>
-5.62724

>  <SCORE.INTRA.DIHEDRAL.0>
7.17348

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.349274

>  <SCORE.INTRA.VDW.0>
-0.283018

>  <SCORE.INTRA.norm>
-0.112016

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.178893

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046925

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  192.5606  199.5568  253.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4995  200.2704  252.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0904  201.4623  251.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8322  202.0345  250.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0868  201.4569  250.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5019  200.2800  251.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7089  199.6842  252.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8873  202.0248  249.4464 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3671  203.3475  249.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1563  204.0662  250.5351 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0799  203.7975  248.4529 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2371  203.0480  247.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6022  205.1558  248.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1936  203.0439  249.9047 N   0  3  0  0  0  0  0  0  0  0  0  0
  193.9068  203.1067  249.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9608  202.5679  249.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9455  204.3651  250.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
-168.75490471,61.94924930,1.10041010,194.81291928,202.33452305,250.28606248
-2.22594750,0.26194422,-0.61245132

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448363/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.77833

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-1.62167

>  <SCORE.INTRA.DIHEDRAL>
1.88633

>  <SCORE.INTRA.DIHEDRAL.0>
2.42787

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.56483

>  <SCORE.INTRA.VDW.0>
1.18171

>  <SCORE.INTRA.norm>
-0.101354

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.423646

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000280

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  198.9551  214.0001  268.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4076  215.1390  267.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7069  215.4716  266.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5486  214.6579  265.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0929  213.5109  266.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8005  213.1852  267.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8823  214.9303  264.4746 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4737  216.0216  263.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7837  216.9558  264.1337 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9803  216.0207  262.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4484  214.9288  261.4100 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0061  215.4864  260.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2430  214.5309  259.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0406  213.9396  259.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3871  213.0058  258.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9217  212.6706  257.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1082  213.2677  257.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7609  214.1945  257.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1735  211.5258  256.4959 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.9368  212.2876  259.4072 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.5873  213.6267  261.3068 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.5212  213.8336  260.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0593  213.3250  262.6415 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5313  212.2834  260.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4300  211.9478  261.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5554  210.9433  261.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7850  210.2840  259.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8728  210.6312  259.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7452  211.6438  259.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7127  209.0386  259.4612 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.5164  214.2767  264.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
1.64165715,66.33084999,133.17094183,-170.22178450,-89.01845908,59.42095117
-57.29841377,198.42562675,213.14558630,261.26897935,0.97417691,0.97974099
1.68642200

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448364/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.98617

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-8.41383

>  <SCORE.INTRA.DIHEDRAL>
0.717859

>  <SCORE.INTRA.DIHEDRAL.0>
5.11607

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.37276

>  <SCORE.INTRA.VDW.0>
-2.78271

>  <SCORE.INTRA.norm>
-0.280461

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.132872

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000302

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  221.2492  191.4195  245.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0005  192.5675  244.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5928  191.9584  243.2387 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.0268  190.5044  243.7160 N   0  3  2  0  0  0  0  0  0  0  0  0
  223.0614  189.9931  242.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.8421  190.1250  244.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3828  190.3207  244.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5954  190.8784  243.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9684  190.0802  242.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1902  188.6759  242.7357 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.1515  188.0023  243.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6588  188.8200  244.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0617  187.9686  241.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7181  187.4674  240.8359 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.3174  187.8788  242.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.2856  187.2320  241.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5003  188.0717  240.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3102  187.5133  239.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5038  188.2847  237.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8807  189.6216  238.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0604  190.1898  239.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8674  189.4201  240.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5255  192.8053  242.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4392  192.4899  241.1343 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2602  193.6288  242.9520 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  1  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  2   4   1  25  -1
M  END
>  <CHROM.1>
-148.50844993,-52.67154571,-83.32958656,-176.50555091,65.69795702,-123.97236047
225.90407344,189.85190959,242.15756876,3.09295236,0.67053310,-0.57551709

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448365/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78843

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-5.61157

>  <SCORE.INTRA.DIHEDRAL>
-6.89275

>  <SCORE.INTRA.DIHEDRAL.0>
9.48936

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.16519

>  <SCORE.INTRA.VDW.0>
0.358192

>  <SCORE.INTRA.norm>
-0.233815

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.241185

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.105722

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  198.1567  220.4875  253.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2009  219.5812  254.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7447  220.3350  255.7771 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.0687  219.3578  256.6049 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8309  221.1415  256.2709 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5859  221.3126  255.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4759  221.5157  252.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7221  221.3375  251.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7091  222.3370  253.1587 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.0074  221.9659  254.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  1   9  -1
M  END
>  <CHROM.1>
-87.32585101,-115.37626666,-167.90704603,-64.82154256,196.98849729,220.78150203
254.51546196,-1.22081676,-0.85187703,2.15795003

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448366/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.67492

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-3.72508

>  <SCORE.INTRA.DIHEDRAL>
2.1845

>  <SCORE.INTRA.DIHEDRAL.0>
2.60393

>  <SCORE.INTRA.POLAR>
-1.24991

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.567617

>  <SCORE.INTRA.VDW.0>
0.192762

>  <SCORE.INTRA.norm>
-0.413897

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.519436

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007722

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  199.6954  217.1670  245.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1349  217.2519  245.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1268  217.8228  246.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4482  217.8458  245.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7833  217.3170  244.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7997  216.7967  243.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4936  216.7174  244.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1514  216.1617  242.4866 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7922  218.3765  247.5172 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8050  218.8302  248.0985 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5400  219.4893  249.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6378  219.9988  250.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4660  220.6371  251.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1791  220.7664  251.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0747  220.2465  251.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2622  219.6093  249.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9849  221.4560  253.0833 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.9849  221.9076  253.6538 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8257  221.5467  253.5167 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.9146  216.6963  241.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8323  215.1999  242.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
>  <CHROM.1>
179.82572525,-108.85834403,178.72391972,202.20280415,218.97817569,248.35248110
1.54555735,-0.15269051,-2.04998892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448367/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.08997

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-1.31003

>  <SCORE.INTRA.DIHEDRAL>
-3.50461

>  <SCORE.INTRA.DIHEDRAL.0>
3.91488

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.442272

>  <SCORE.INTRA.VDW.0>
0.155316

>  <SCORE.INTRA.norm>
-0.068949

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.373156

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  210.1026  199.6715  242.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6972  198.3898  242.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9198  198.0116  242.8521 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7820  197.8656  244.2846 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3003  199.2014  244.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0571  199.6549  244.2586 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8844  199.7489  245.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4664  198.9588  244.5953 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.0492  200.6374  246.0636 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0541  201.6085  246.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2008  202.6400  245.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1654  203.5901  245.3700 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.0452  203.4919  246.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0109  202.4839  247.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9994  201.5288  247.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8677  196.6852  244.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2293  196.1837  245.9709 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0057  197.0378  247.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8253  197.7579  247.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7586  198.5767  248.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8027  198.6937  249.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9696  197.9813  249.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0627  197.1412  247.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5244  199.5570  250.2422 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1858  199.9701  249.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6911  199.3453  248.6884 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5967  200.3072  246.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
153.01632672,16.49899254,60.82866629,66.65719606,46.94067221,210.36722870
199.42449855,246.17382836,2.39373655,1.53317152,-2.61717414

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448368/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.23032

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-5.16968

>  <SCORE.INTRA.DIHEDRAL>
4.05604

>  <SCORE.INTRA.DIHEDRAL.0>
1.91174

>  <SCORE.INTRA.POLAR>
-0.999677

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.7988

>  <SCORE.INTRA.VDW.0>
-0.724635

>  <SCORE.INTRA.norm>
-0.198834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.201166

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  216.1534  196.6249  241.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7645  196.5024  241.4839 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.4220  195.6360  240.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1026  195.5145  240.5012 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5571  196.6008  241.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2580  197.0987  241.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0582  198.1811  242.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1112  198.7023  242.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4274  198.2078  242.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6329  197.1734  241.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4026  194.3259  239.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7536  193.0630  240.7844 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3718  193.2069  242.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1736  194.2394  242.8895 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8975  194.4562  244.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5974  194.4929  244.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1488  195.7275  245.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8311  196.1181  244.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4656  197.4422  245.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3753  198.3345  245.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6647  197.9184  246.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0924  196.6273  245.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4399  196.2294  245.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8634  195.1676  244.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0960  192.9947  245.8127 Br  0  0  0  0  0  0  0  0  0  0  0  0
  212.0887  191.9199  240.2336 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3783  191.7634  239.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
63.09978577,59.45279843,-65.56163722,61.64131133,179.51768502,-42.50286528
212.22960250,195.34401167,243.47624881,0.10556226,1.10022275,0.15004136

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448369/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.05058

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-9.34942

>  <SCORE.INTRA.DIHEDRAL>
-5.74431

>  <SCORE.INTRA.DIHEDRAL.0>
9.8125

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.47727

>  <SCORE.INTRA.VDW.0>
0.937459

>  <SCORE.INTRA.norm>
-0.359593

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0404068

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002404

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  204.3227  206.2309  250.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1383  205.2859  250.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2844  205.6361  251.7303 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1592  206.4301  251.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8598  206.8890  250.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3119  206.6917  252.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6255  206.1775  253.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8325  205.3279  253.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6096  205.0702  252.9394 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6342  206.3007  255.3419 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.4702  204.9115  255.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8421  204.8125  253.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6453  205.4857  253.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0759  205.3931  252.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7039  204.6370  251.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8950  203.9742  251.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4651  204.0615  252.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1556  204.5517  250.1053 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.9002  207.6655  252.4504 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
95.35037524,86.02752524,-47.37703071,-90.35946919,199.62340143,205.75056034
252.57010975,0.13508379,-0.16880785,-1.67785075

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448370/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45588

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-2.94412

>  <SCORE.INTRA.DIHEDRAL>
-0.431134

>  <SCORE.INTRA.DIHEDRAL.0>
5.16975

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.72855

>  <SCORE.INTRA.VDW.0>
-1.0269

>  <SCORE.INTRA.norm>
-0.154954

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.339783

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000357

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  201.8610  195.6538  249.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9159  194.3204  248.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7237  194.1693  247.6019 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7154  192.9292  246.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4421  192.8692  246.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3708  192.0110  246.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4344  192.4982  245.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9781  193.6278  244.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2074  193.8534  245.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4602  194.4908  243.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0871  195.5750  243.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3561  196.0632  243.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3663  196.5375  243.8183 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4627  196.7176  241.8278 P   0  0  0  0  0  0  0  0  0  0  0  0
  197.8055  195.7194  240.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8836  196.4073  242.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2660  197.2268  243.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8485  196.7439  243.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8723  197.7979  240.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7835  198.6943  239.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1174  199.5708  238.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.80519652,179.87540261,-117.96254679,178.67020820,-77.51269044,90.85685858
-163.87330589,-179.45032939,179.97870724,198.26557254,195.54462468,243.86863998
-1.05116182,-0.42752240,-0.78716709

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448371/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7175

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.685714

>  <SCORE.INTRA>
-3.68254

>  <SCORE.INTRA.DIHEDRAL>
-6.11462

>  <SCORE.INTRA.DIHEDRAL.0>
12.5874

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.625229

>  <SCORE.INTRA.VDW.0>
-2.25539

>  <SCORE.INTRA.norm>
-0.175359

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.510355

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000391

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  197.9313  219.8781  257.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4140  220.3313  259.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3077  221.3677  259.2307 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.6442  221.0008  258.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4557  221.5484  260.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6734  220.3010  260.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8176  222.6957  258.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6940  223.7127  258.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0243  223.6447  257.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1852  222.3707  256.8495 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2247  222.5396  255.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1308  221.2844  256.6108 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6132  219.9698  256.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4279  219.3351  257.7679 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9322  218.0878  257.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6412  217.4202  256.5948 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8709  218.0348  255.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3737  219.3395  255.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6304  219.9148  254.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3866  219.1966  252.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8803  217.9077  253.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6202  217.3407  254.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5912  217.0015  251.5803 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.7263  217.3634  259.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6812  221.4221  255.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
47.75790040,-63.67307677,175.21566157,-87.76462404,68.55195445,162.91200159
169.39993246,-82.61887685,194.76261482,219.88426624,256.51805199,0.14462909
1.29000846,2.41064605

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448372/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.96326

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-11.4367

>  <SCORE.INTRA.DIHEDRAL>
3.40262

>  <SCORE.INTRA.DIHEDRAL.0>
1.68817

>  <SCORE.INTRA.POLAR>
-2.67209

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.05295

>  <SCORE.INTRA.VDW.0>
3.39087

>  <SCORE.INTRA.norm>
-0.49725

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.0853591

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000097

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  195.4782  221.9202  263.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8255  220.9421  262.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7683  219.8136  262.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7693  218.6419  263.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6074  217.5733  262.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4194  217.6659  261.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4231  218.8206  260.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6085  219.8971  261.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2419  216.5866  261.3167 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3603  215.4442  262.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1542  214.5767  261.7221 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5151  215.3480  263.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6702  216.3629  263.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6134  214.0997  264.2065 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9540  214.3494  265.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6610  214.5800  265.7178 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4481  214.7850  267.0429 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5776  214.6974  267.7152 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5466  214.4096  266.8147 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9375  214.2510  267.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1823  215.1272  268.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1951  212.7747  267.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9690  214.6862  266.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8556  216.1035  265.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1850  212.8264  263.5286 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6562  211.6012  264.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1631  211.4669  264.5453 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.0675  211.5378  263.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3558  210.9571  263.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8914  209.9597  264.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5047  210.2155  265.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7414  212.8085  263.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1737  213.8756  262.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7410  214.1227  261.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2741  215.1725  260.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2101  215.9589  260.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6309  215.7172  261.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1199  214.6890  262.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9507  215.3392  259.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9537  216.6462  258.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8201  216.6152  260.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 27 26  1  6  0  0  0
 27 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 39  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <CHROM.1>
90.63450621,166.06529576,64.70917345,162.61852803,148.46138886,56.97669822
-52.94176704,60.57149175,-58.24150351,51.70454603,-153.43305683,197.26187316
215.11345995,263.58465217,-3.12905718,1.12633303,-2.18540793

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448373/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.63388

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41

>  <SCORE.INTRA>
-6.76612

>  <SCORE.INTRA.DIHEDRAL>
0.174225

>  <SCORE.INTRA.DIHEDRAL.0>
6.73243

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.85323

>  <SCORE.INTRA.VDW.0>
0.274995

>  <SCORE.INTRA.norm>
-0.169153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.240847

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  206.1386  190.7900  245.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5894  189.6893  246.3040 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.0539  189.6064  246.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2141  190.6366  246.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0332  190.2801  248.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0897  190.8614  249.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1797  192.3877  249.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8576  190.4099  250.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3639  190.3357  248.9235 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2372  188.3221  246.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8073  187.1308  246.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6214  186.0088  246.5395 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2195  185.3843  245.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0149  187.4478  248.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4972  186.4846  249.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2991  189.3654  248.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-81.34829726,178.33003556,-78.45489588,91.42776004,57.15640036,-55.72249955
-174.23806493,-77.68271701,172.52687237,205.09352069,189.01290379,247.58459632
-3.09330885,-1.16908127,2.12630171

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448374/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.0249

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.893333

>  <SCORE.INTRA>
-2.37513

>  <SCORE.INTRA.DIHEDRAL>
8.00969

>  <SCORE.INTRA.DIHEDRAL.0>
0.411059

>  <SCORE.INTRA.POLAR>
-0.99939

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.98205

>  <SCORE.INTRA.VDW.0>
3.74891

>  <SCORE.INTRA.norm>
-0.158342

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.734991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002665

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  205.9225  206.5550  255.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9330  207.3838  254.5138 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.5547  206.8016  254.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9424  208.8130  255.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3886  207.3138  253.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5805  208.0393  252.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5352  207.3904  251.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8418  208.0395  250.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1800  209.3426  249.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2069  210.0039  250.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9036  209.3578  251.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
179.53230329,-90.92561336,204.38970567,208.05670682,252.72508835,1.08875964
0.87947236,2.32968386

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448375/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39303

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.00696842

>  <SCORE.INTRA.DIHEDRAL>
-0.00358439

>  <SCORE.INTRA.DIHEDRAL.0>
0.667803

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00517623

>  <SCORE.INTRA.VDW.0>
-0.582438

>  <SCORE.INTRA.norm>
-0.000633493

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.672094

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.280019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  210.8121  192.3253  250.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9542  191.6821  249.4732 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5986  191.0316  248.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5923  191.9635  249.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7627  191.3435  248.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3923  191.5857  248.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7729  192.4690  249.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5814  193.1116  250.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9602  192.8508  250.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2714  192.7033  249.2936 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8336  193.5585  248.1223 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5063  192.5491  247.0555 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.1534  192.9330  246.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6987  192.5901  245.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5578  193.6842  247.5428 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4946  194.1816  248.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3457  194.9835  249.3349 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1552  193.7493  247.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5813  194.4133  248.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2045  194.3381  249.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3878  193.5790  248.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9403  192.9196  247.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3090  193.0187  246.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2537  191.2817  247.6825 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5620  191.4512  249.0385 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0381  190.6168  250.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2804  190.8150  251.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7813  189.9283  252.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0155  188.8365  251.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7475  188.6232  250.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2644  189.5037  249.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4117  187.7392  253.1291 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  6  0  0  0
 10 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-179.80809161,-74.39258449,173.52897476,-7.96136167,203.45610074,191.87142368
249.23211353,-0.15511182,-0.01376875,-0.75811870

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448376/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.17276

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-1.22724

>  <SCORE.INTRA.DIHEDRAL>
-4.20244

>  <SCORE.INTRA.DIHEDRAL.0>
5.69284

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.873977

>  <SCORE.INTRA.VDW.0>
0.971303

>  <SCORE.INTRA.norm>
-0.0383513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.255399

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002284

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 27  0  0  0  0  0  0  0  0999 V2000
  194.0766  215.1378  245.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4361  215.0384  246.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7183  213.6385  246.6790 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8756  212.6174  245.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0042  211.8246  245.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0592  212.6934  244.8822 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9481  213.6587  247.5041 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7975  216.5538  244.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6463  217.4531  246.0770 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6813  218.1314  246.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9260  218.0776  245.8883 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6717  219.0143  247.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5140  218.6823  248.8680 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8505  218.1825  249.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1304  216.7798  248.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4933  215.8023  249.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1621  216.6964  248.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1048  219.9908  249.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1276  221.0806  249.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7254  219.8681  250.8650 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1546  212.0612  244.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7500  213.5760  246.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9817  212.7856  248.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2727  218.9359  245.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6291  217.6208  246.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1146  219.9190  247.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3791  215.7868  247.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4641  220.7178  251.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  1  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
>  <CHROM.1>
177.68615136,-66.26107435,66.39841806,-102.20626495,-82.96394648,-178.77484276
97.05863505,119.28015937,67.30821384,79.47646571,-75.69971780,-9.33082975
-68.32382919,178.41648851,-179.72902726,195.23923126,216.52710228,247.32165396
1.20802657,0.99248382,-2.33193119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448377/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44639

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.87

>  <SCORE.INTRA>
-10.9536

>  <SCORE.INTRA.DIHEDRAL>
-0.0313937

>  <SCORE.INTRA.DIHEDRAL.0>
8.74913

>  <SCORE.INTRA.POLAR>
-1.56848

>  <SCORE.INTRA.POLAR.0>
-0.54687

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.60508

>  <SCORE.INTRA.VDW.0>
0.4601

>  <SCORE.INTRA.norm>
-0.547681

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.322319

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006197

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  224.8942  193.9951  248.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9268  192.9863  248.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0002  193.5842  246.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0484  192.5293  246.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1343  193.1371  245.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1784  192.0876  244.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2565  192.6667  243.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3254  191.5867  243.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3945  192.1180  242.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4896  190.9943  241.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5445  191.5114  240.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6390  190.3961  240.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6893  190.9285  238.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7801  189.8160  238.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8219  190.3273  237.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9151  189.1877  236.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9405  189.6561  235.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0593  188.5141  235.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1073  187.9730  234.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1692  188.1493  236.3301 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5910  187.4143  236.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87738786,-179.86307771,-179.81312213,-179.56876006,179.98247055,-179.74000098
-179.77738508,179.69821427,179.86202776,179.56154706,-179.85454171,-179.89226107
-179.61781098,179.87760108,179.71156310,-109.85943468,-179.64552110,216.06291929
191.08051156,241.18858802,0.24154489,0.69806549,2.39789871

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448395/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.9903

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.07

>  <SCORE.INTRA>
-2.40968

>  <SCORE.INTRA.DIHEDRAL>
0.121475

>  <SCORE.INTRA.DIHEDRAL.0>
1.10239

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.47041

>  <SCORE.INTRA.VDW.0>
0.163877

>  <SCORE.INTRA.norm>
-0.120484

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.949516

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023628

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  190.7398  206.4412  247.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9665  207.3542  248.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7957  207.4067  249.6603 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4304  206.0560  250.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3326  205.5212  250.3749 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4871  205.6200  251.1127 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3940  204.5831  252.1542 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7708  204.6298  252.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0996  206.0839  253.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9757  206.8227  254.0223 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.5450  206.3151  253.6975 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.3987  204.8614  253.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4715  206.9236  254.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3265  208.3848  254.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6783  209.1538  254.2524 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8753  208.3348  253.5998 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2264  208.9846  253.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0960  210.4438  254.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9730  211.4819  254.3643 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.6416  210.7399  253.8425 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.4492  211.3663  254.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9832  212.4660  255.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4468  212.1008  255.7187 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6989  211.5297  257.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2270  212.2615  258.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2441  211.4187  259.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5937  211.7865  260.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8432  210.1721  258.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4291  210.1615  257.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4107  210.8339  252.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0560  212.6012  253.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4211  206.6810  255.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1134  208.4525  250.6641 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9774  210.2045  251.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0075  208.2376  251.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4127  208.4147  251.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  1  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  6  0  0  0
 20 21  1  0  0  0  0
 20 30  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <CHROM.1>
62.39792822,-124.83672139,-56.63172142,164.38240264,-171.19228260,-45.27862673
126.33859394,190.39670718,208.70535795,253.87420145,2.24397712,1.45120705
-2.90480446

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448396/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.77564

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-5.62436

>  <SCORE.INTRA.DIHEDRAL>
-1.83235

>  <SCORE.INTRA.DIHEDRAL.0>
6.0134

>  <SCORE.INTRA.POLAR>
-0.89983

>  <SCORE.INTRA.POLAR.0>
-0.0457903

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.64877

>  <SCORE.INTRA.VDW.0>
-3.8814

>  <SCORE.INTRA.norm>
-0.170435

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.175019

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003878

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  207.9129  190.7676  233.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5135  190.3383  233.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1408  191.0424  232.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8896  190.8080  231.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8995  190.4187  230.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7158  190.1280  229.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5006  190.2372  230.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4789  190.6165  231.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6659  190.9011  232.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5643  191.3054  233.6391 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2840  192.3964  234.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9865  193.0640  233.3491 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1603  192.7452  235.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7274  193.8479  236.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3722  193.9392  237.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5723  192.8669  237.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1677  191.8666  236.5997 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.9801  192.4260  239.0870 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6910  192.1966  240.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6978  191.5059  240.3541 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0043  192.6835  241.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8430  193.4530  241.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2621  194.1141  242.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8240  193.9972  243.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9324  193.1723  243.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5143  192.5002  242.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8373  191.4446  243.1196 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.7961  195.0673  238.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4031  196.0343  237.9797 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4525  194.9743  239.7462 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8920  196.0866  240.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4679  195.8771  241.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5944  194.8700  235.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7675  190.9998  234.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1153  191.9112  238.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-178.69654927,-125.73070586,44.58066153,-175.36165068,4.42451330,-54.66101005
-51.83530472,-8.18573538,179.53941589,-179.57030868,204.16190087,192.59824568
237.27552451,-1.37003849,1.08271511,1.15773093

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448397/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86393

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-8.53607

>  <SCORE.INTRA.DIHEDRAL>
-15.5776

>  <SCORE.INTRA.DIHEDRAL.0>
24.4912

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.747256

>  <SCORE.INTRA.VDW.0>
-1.62812

>  <SCORE.INTRA.norm>
-0.258669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.207998

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  214.5472  192.6208  242.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7801  192.5659  243.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2639  192.5637  244.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5256  192.5085  245.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6566  193.6930  246.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9048  193.6512  247.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0239  192.4252  248.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8958  191.2397  247.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6524  191.2804  246.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
-179.95158753,-90.91807845,216.20695476,192.50827057,245.68951304,-3.13031195
1.16898351,-3.12187478

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448398/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.07895

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.321045

>  <SCORE.INTRA.DIHEDRAL>
-0.0154707

>  <SCORE.INTRA.DIHEDRAL.0>
0.72567

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.31331

>  <SCORE.INTRA.VDW.0>
-0.129381

>  <SCORE.INTRA.norm>
-0.0356717

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.786551

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.063048

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  187.7908  209.9891  246.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2999  209.6363  248.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7123  210.3153  249.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6772  211.4061  249.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3196  211.7562  250.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6942  210.6120  251.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2101  209.8899  250.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3586  208.8825  250.5731 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9868  208.2698  249.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4264  208.6087  248.1996 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8541  206.9205  249.6196 S   0  0  0  0  0  0  0  0  0  0  0  0
  183.8751  206.8433  248.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0492  207.5210  247.1098 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8535  205.9537  248.2416 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8593  208.1460  247.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.1280  206.1545  248.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.1791  204.9944  248.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
149.68218829,8.59841323,65.49393196,186.20984274,208.84580996,249.14964733
-0.27430740,-0.78620210,-1.59739137

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448399/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.16835

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.231651

>  <SCORE.INTRA.DIHEDRAL>
0.0587511

>  <SCORE.INTRA.DIHEDRAL.0>
2.46882

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.261026

>  <SCORE.INTRA.VDW.0>
-0.53694

>  <SCORE.INTRA.norm>
-0.0165465

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.583454

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  189.4095  216.1840  262.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7801  215.0575  263.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6425  215.0816  264.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3115  213.9180  262.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4467  213.8923  260.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7054  212.9592  262.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2097  211.8302  262.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5176  210.8633  263.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1798  211.4041  263.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3218  213.0590  264.5775 Si  0  0  0  0  0  0  0  0  0  0  0  0
  186.6123  213.0264  265.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5940  212.0676  266.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5477  214.3236  263.5136 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5813  214.5652  262.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9334  213.3719  265.4471 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8453  214.5689  266.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
1.05225115,179.32184654,-178.13876484,71.86681500,-59.31516754,-44.09576045
-61.58593769,58.50022631,-179.62171379,186.54072225,213.48308194,263.78143048
0.00692912,0.74180034,0.42888880

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448401/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.045

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.9

>  <SCORE.INTRA>
-2.35504

>  <SCORE.INTRA.DIHEDRAL>
-1.05078

>  <SCORE.INTRA.DIHEDRAL.0>
2.19436

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.82965

>  <SCORE.INTRA.VDW.0>
0.721325

>  <SCORE.INTRA.norm>
-0.14719

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.75281

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031838

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 69 71  0  0  0  0  0  0  0  0999 V2000
  191.5514  219.3850  251.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5591  218.2482  252.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7787  217.0579  251.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0431  217.7431  252.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8758  218.5438  253.5476 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4806  218.3502  253.6866 P   0  0  1  0  0  0  0  0  0  0  0  0
  196.1579  219.1449  254.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5063  216.7757  254.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1856  218.3995  252.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9494  219.8325  251.3268 P   0  0  2  0  0  0  0  0  0  0  0  0
  197.0779  220.3684  252.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0163  218.7493  250.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7710  219.8685  249.8718 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0501  221.1737  249.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8849  222.1534  249.0007 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.7066  221.6428  248.1726 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.5175  222.4400  248.7081 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8887  222.6002  250.1937 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.3301  222.5306  250.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4573  223.8104  250.8583 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5179  223.9168  251.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4280  225.1500  252.3104 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3602  225.8689  251.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7642  227.2160  251.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7033  227.6211  250.7134 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2331  226.7078  249.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9411  225.3980  249.7848 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9983  225.0514  250.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2346  228.1670  252.4588 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3693  223.6376  247.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5564  220.2498  248.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4873  219.4172  247.5987 P   0  0  0  0  0  0  0  0  0  0  0  0
  193.5785  219.5352  246.1206 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1522  219.9795  248.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5012  217.9394  248.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8371  218.7107  253.7232 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8778  217.6706  254.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8743  217.0219  255.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0825  217.5234  255.5399 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2869  216.5575  256.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9016  217.1183  257.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2229  217.7859  257.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3601  219.0204  257.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2692  216.9384  257.3659 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6143  217.4384  257.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6538  216.3695  256.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2448  217.1417  256.3424 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.1503  215.6771  255.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0668  215.3186  256.7037 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6270  214.8388  254.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4679  215.5308  253.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0399  216.5813  253.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4861  214.9271  252.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8110  215.3952  251.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0900  216.6814  250.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0841  216.7544  250.0918 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6622  217.7630  251.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4548  219.9132  254.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0742  216.6064  254.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6019  218.1398  250.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7366  228.9113  251.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8963  228.4294  253.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0570  224.2830  248.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.8512  220.7686  247.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8218  217.9363  249.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8990  217.9851  255.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1186  215.9306  257.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3961  217.5559  251.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.4149  219.7227  254.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  1  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 59  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  1  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 60  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  1  0  0  0
 17 18  1  0  0  0  0
 17 30  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 37  1  1  0  0  0
 36 58  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 66  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 67  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 57 68  1  0  0  0  0
 58 69  1  0  0  0  0
M  END
>  <CHROM.1>
77.83892812,-175.72850536,-166.84127376,-171.79714909,-64.93292439,59.32631387
82.04304753,-72.92494750,-157.32800686,-57.85616192,-51.35540813,-174.10562638
-75.79443489,112.01150061,-116.31386687,52.18841676,89.67378925,24.27111458
-105.82143474,-51.71684973,-128.95743685,-56.87773916,107.61879972,-176.30504368
174.63196040,-179.62333687,-111.99850444,56.04125023,19.34030098,-159.06384479
-89.05603012,-102.33440897,-6.14190306,195.03606064,219.57732056,252.30170291
2.03160102,0.62794519,-0.92704417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448402/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.890917

>  <SCORE.INTER>
31.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
26

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.541379

>  <SCORE.INTRA>
-32.2909

>  <SCORE.INTRA.DIHEDRAL>
-17.1692

>  <SCORE.INTRA.DIHEDRAL.0>
44.8683

>  <SCORE.INTRA.POLAR>
-4.28568

>  <SCORE.INTRA.POLAR.0>
-1.42554

>  <SCORE.INTRA.REPUL>
-0.0412759

>  <SCORE.INTRA.REPUL.0>
0.0412759

>  <SCORE.INTRA.VDW>
-8.9286

>  <SCORE.INTRA.VDW.0>
-7.11895

>  <SCORE.INTRA.norm>
-0.55674

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
58

>  <SCORE.norm>
-0.0153606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.236105

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  199.2378  217.4899  253.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4021  217.9787  251.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2489  219.3240  251.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9632  219.8383  250.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8349  221.1774  250.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0033  222.0423  251.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3240  221.5322  252.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4324  220.1709  252.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6020  222.4232  252.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3362  222.0145  253.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6840  223.4389  250.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2774  224.2633  251.3777 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8371  223.8623  249.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5682  223.6065  248.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2322  222.1101  248.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8655  221.4252  249.4004 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7888  219.9662  249.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3815  219.6905  248.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5394  220.7975  249.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5354  221.7928  249.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4713  221.6699  249.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8772  221.4840  249.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
152.66232710,-53.44045394,-160.19925586,139.57658602,88.92927064,-65.68567138
66.41971359,-170.17484321,198.15131837,221.27668792,250.56543234,1.11798034
0.11123010,2.50458659

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448403/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.97949

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.609091

>  <SCORE.INTRA>
-4.42051

>  <SCORE.INTRA.DIHEDRAL>
2.60382

>  <SCORE.INTRA.DIHEDRAL.0>
8.07879

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.72242

>  <SCORE.INTRA.VDW.0>
5.23701

>  <SCORE.INTRA.norm>
-0.200932

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.408159

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  204.9887  220.2711  262.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7838  219.4005  261.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4314  217.9245  261.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0205  217.7050  261.3573 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6140  216.3463  261.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0981  216.1949  261.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3813  217.1122  262.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5359  218.5091  262.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3171  221.7500  262.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5436  222.5523  263.2231 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8675  217.8514  260.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5158  218.6992  261.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2907  219.1091  262.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5529  222.4935  262.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8004  223.5334  263.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.32282333,179.91738213,63.12969064,-171.45363288,171.25519581,-63.84094617
69.99826054,-48.03567888,-66.50149897,203.84854552,218.83041497,262.06450657
-1.03872134,-0.24338522,-2.85819702

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448404/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.2605

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.44

>  <SCORE.INTRA>
-2.13953

>  <SCORE.INTRA.DIHEDRAL>
1.0088

>  <SCORE.INTRA.DIHEDRAL.0>
0.0215811

>  <SCORE.INTRA.POLAR>
-0.733649

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.149528

>  <SCORE.INTRA.VDW.0>
-0.661318

>  <SCORE.INTRA.norm>
-0.213953

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.22605

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.065107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  203.4750  195.4951  254.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1934  196.0618  252.7473 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1870  195.9577  251.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6512  197.1486  251.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6721  197.1096  250.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2115  195.8924  249.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7056  194.7094  250.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7109  194.7385  251.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3263  195.7778  248.7609 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.7021  195.0280  247.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4344  193.8120  246.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6559  193.2586  247.6861 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.0465  193.9289  248.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4735  195.0364  249.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7874  193.3130  246.8236 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9083  197.1493  248.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0330  196.8669  247.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9660  196.6326  246.4637 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0906  198.3200  251.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5406  199.1755  250.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9469  194.2499  246.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  6  0  0  0
 13 14  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-123.80248306,-126.39776901,-115.51711376,177.22544390,61.30220972,206.45712378
195.78020730,249.62591673,3.04765747,0.78984773,-0.27430607

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448405/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.465

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-0.934996

>  <SCORE.INTRA.DIHEDRAL>
5.04559

>  <SCORE.INTRA.DIHEDRAL.0>
2.50561

>  <SCORE.INTRA.POLAR>
-0.0194505

>  <SCORE.INTRA.POLAR.0>
-0.194413

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.39166

>  <SCORE.INTRA.VDW.0>
4.71065

>  <SCORE.INTRA.norm>
-0.0467498

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.42325

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000825

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  183.1504  222.3727  248.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4557  222.1889  249.0632 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.3387  222.0975  250.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6836  221.9153  251.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8175  221.0308  252.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0090  220.8849  252.9311 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1058  221.6004  252.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9893  222.4434  251.4332 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8166  222.6205  250.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7612  223.3985  249.8445 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8496  221.4960  253.3214 Se  0  0  0  0  0  0  0  0  0  0  0  0
  190.4544  220.8038  252.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.0842  219.9624  254.0956 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6117  218.5521  253.7456 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.9940  218.0957  255.1451 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.6340  219.4000  255.6643 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.9085  220.4940  255.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7094  219.4746  257.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4208  219.5330  257.7454 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8488  217.6841  255.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7361  218.6335  252.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0383  223.0326  248.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.9233  218.7548  257.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.4068  216.9221  255.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.4969  219.0574  252.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13  6  1  6  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  6  0  0  0
 15 16  1  0  0  0  0
 15 20  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <CHROM.1>
-179.67650321,-139.47876093,96.25527975,112.17901026,-62.54618879,61.00080698
-65.82736116,54.29188693,187.57221763,220.80734182,253.08416013,2.04612871
-0.31510122,-0.92968110

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448406/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.563751

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-9.83625

>  <SCORE.INTRA.DIHEDRAL>
-8.69624

>  <SCORE.INTRA.DIHEDRAL.0>
13.2242

>  <SCORE.INTRA.POLAR>
-0.892106

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.45497

>  <SCORE.INTRA.VDW.0>
-0.642863

>  <SCORE.INTRA.norm>
-0.491812

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.0281876

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003553

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  195.0109  214.2255  244.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3097  214.7168  245.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0580  213.9919  246.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0016  214.7386  246.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8519  214.1250  247.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7649  212.7528  247.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8160  212.0062  247.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9560  212.6204  246.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6796  210.6211  247.5726 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6098  209.9957  248.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5736  208.6753  248.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6799  207.7131  248.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7816  208.1195  247.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5912  209.7511  246.6156 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.2376  210.1267  246.9651 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0633  209.7165  245.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7989  206.8850  246.6204 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.5504  205.7448  247.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5522  206.3237  248.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8754  204.1043  247.5756 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.9052  203.2260  248.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5651  204.2188  248.1735 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6548  203.7743  245.9442 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5384  203.7507  245.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9319  204.3555  245.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
-152.99496261,-6.93539843,158.24862229,64.13069849,196.76015576,209.03154314
247.05824520,1.40167300,-0.68944283,-0.22145610

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448407/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.46079

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-3.93921

>  <SCORE.INTRA.DIHEDRAL>
-11.5196

>  <SCORE.INTRA.DIHEDRAL.0>
13.922

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.82059

>  <SCORE.INTRA.VDW.0>
-0.415748

>  <SCORE.INTRA.norm>
-0.17127

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.237425

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001075

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  182.9980  215.7797  259.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8818  216.2417  260.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4808  216.2602  261.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1868  215.8787  261.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3066  215.4159  260.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7063  215.3658  259.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7626  214.7860  258.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6428  214.4061  258.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.2457  214.7631  257.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4832  216.3637  262.4821 N   0  3  0  0  0  0  0  0  0  0  0  0
  184.2200  215.8220  263.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.4180  217.3219  262.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.4435  216.1885  262.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.6409  214.4035  256.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
-144.78650899,178.98677339,-178.86273662,182.15973939,215.50457701,259.95942616
-0.84225670,-0.32736850,-1.69897032

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448408/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.97046

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-2.42954

>  <SCORE.INTRA.DIHEDRAL>
-4.77708

>  <SCORE.INTRA.DIHEDRAL.0>
5.28696

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0409992

>  <SCORE.INTRA.VDW.0>
0.00795194

>  <SCORE.INTRA.norm>
-0.242954

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.397046

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013433

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 32  0  0  0  0  0  0  0  0999 V2000
  229.1803  185.5201  239.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6305  183.7293  240.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6924  182.3305  241.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4917  182.6673  242.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6951  182.1404  243.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5613  183.1763  243.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7239  183.0927  244.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8483  184.3450  244.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0354  184.2675  246.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2347  185.5538  246.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4600  185.3725  247.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6170  186.5651  247.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6906  186.7537  248.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8541  187.9767  248.7990 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9322  189.0208  247.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9457  188.8497  246.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0868  189.8190  245.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2093  189.2827  244.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3429  190.2792  243.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4188  189.8592  242.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5096  190.8969  241.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5988  190.3810  240.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9118  191.2012  239.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0887  190.3107  238.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3742  188.9831  238.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3405  187.2310  238.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9294  188.1050  249.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8781  187.2390  250.7438 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9736  189.3299  249.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2095  189.5240  248.7853 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.0864  189.2413  250.9272 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.6539  190.4973  250.0694 F   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <CHROM.1>
55.18161882,223.18986398,187.36483904,245.03723997,0.24884572,0.75772156
-0.69897162

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448409/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.31278

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2

>  <SCORE.INTRA>
-3.08722

>  <SCORE.INTRA.DIHEDRAL>
-0.00213886

>  <SCORE.INTRA.DIHEDRAL.0>
0.720201

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.08615

>  <SCORE.INTRA.VDW.0>
2.41924

>  <SCORE.INTRA.norm>
-0.0964756

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.103524

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.306770

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  205.3676  203.7621  249.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6180  203.3608  249.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1755  202.1493  249.7543 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9847  200.9820  249.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9531  200.3177  249.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1722  200.6366  248.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3681  200.9167  248.6837 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.2143  199.3252  247.7390 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.1474  201.3590  246.9331 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.3762  204.1757  248.6164 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5087  203.7599  248.3401 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2613  202.9242  250.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1704  203.6298  250.4076 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4444  204.9370  249.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7629  204.9886  249.4999 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2262  201.5814  250.4654 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1530  201.9856  250.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8437  205.3505  248.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6273  200.9158  249.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.1750  201.3088  251.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
85.94976218,-179.24001767,-78.61031179,37.72186967,-39.97489262,206.47224082
202.32466131,249.04038875,-2.53332672,-0.43381017,3.14071300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448417/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.51939

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-3.88061

>  <SCORE.INTRA.DIHEDRAL>
-0.0967897

>  <SCORE.INTRA.DIHEDRAL.0>
2.25743

>  <SCORE.INTRA.POLAR>
-0.953223

>  <SCORE.INTRA.POLAR.0>
-0.0372536

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.591255

>  <SCORE.INTRA.VDW.0>
-1.57712

>  <SCORE.INTRA.norm>
-0.242538

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.407462

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  204.2112  198.1974  250.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7993  199.0808  251.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4067  200.4247  251.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9269  201.3342  252.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8908  200.9202  253.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1957  199.5489  253.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6710  198.6251  252.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1512  197.1993  252.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4743  201.8877  254.0285 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0411  203.2114  253.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5567  204.1951  254.5856 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1204  205.4860  254.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5876  206.3434  255.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1527  205.8252  253.6256 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4302  204.9496  252.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4387  205.2738  252.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9373  203.5292  252.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4386  202.6480  252.1282 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8213  201.5813  254.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9146  201.0518  256.0370 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.3270  201.9846  257.1234 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4228  201.3697  258.5548 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.8731  201.1348  259.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9991  200.7155  260.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1553  199.2171  260.5602 P   0  0  0  0  0  0  0  0  0  0  0  0
  209.1610  198.7025  261.5892 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9606  199.9654  261.3685 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3115  197.7187  260.7492 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7250  202.2432  259.4563 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9352  203.2781  257.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2807  199.7586  256.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8318  206.7797  253.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5496  200.6643  260.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9660  197.0703  260.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1036  203.1363  259.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7269  203.7040  256.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7659  199.1347  255.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  1  0  0  0
 22 23  1  1  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
>  <CHROM.1>
-100.98838466,-58.93122886,178.48748797,62.93998321,62.49922315,63.82152167
173.18329756,-57.25698185,60.79645085,145.68970956,58.80579732,52.72194327
206.52885557,201.41540360,255.71649858,3.02541207,-1.21036218,0.17456914

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448419/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
-2

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.2345

>  <SCORE.INTRA.REPUL.0>
0.2345

>  <SCORE.INTRA.VDW>
-0.936397

>  <SCORE.INTRA.VDW.0>
-2.08522

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005305

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 69 74  0  0  0  0  0  0  0  0999 V2000
  205.8739  196.5090  237.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6739  195.4847  236.6083 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2995  195.3187  236.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7138  196.2798  237.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7156  197.0432  237.9135 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6582  198.1148  238.8913 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5656  199.3146  238.6645 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.9236  200.3224  239.6130 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3920  200.0094  239.5200 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2975  198.6298  239.0633 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6823  200.2646  240.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3718  199.8227  241.2245 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5804  198.4203  241.1893 P   0  0  1  0  0  0  0  0  0  0  0  0
  200.8301  197.8509  239.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6053  197.9133  242.3159 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0843  197.9429  241.9252 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9278  198.9887  243.2944 P   0  0  1  0  0  0  0  0  0  0  0  0
  198.1543  199.9993  242.4419 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7690  198.0220  243.9312 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7714  200.0346  244.6636 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3457  199.9676  245.2344 P   0  0  1  0  0  0  0  0  0  0  0  0
  201.4862  199.9207  244.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5597  201.2796  246.1270 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4494  198.7417  246.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4470  198.6442  247.4957 P   0  0  1  0  0  0  0  0  0  0  0  0
  199.4106  199.9295  248.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0192  198.2780  246.8842 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8135  197.3095  248.3416 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1058  197.3238  248.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3168  197.1281  248.0130 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6718  196.7590  248.6151 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.3827  196.1326  247.4222 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2219  195.4245  246.6939 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0184  196.1589  246.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3275  195.2768  245.2592 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2631  194.0926  244.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5563  194.2528  243.2821 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8270  195.5970  243.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6471  196.2256  244.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7920  197.5498  244.5002 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1653  198.2509  243.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3990  197.7605  242.2067 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2261  196.3883  241.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4010  195.8845  240.8670 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3089  199.5737  243.6492 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0476  197.1572  246.6635 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5954  195.8308  249.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4327  200.1421  240.9388 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5656  199.8111  237.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3939  196.3200  237.5888 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6330  195.3615  236.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0204  194.4107  236.1551 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4871  194.3585  235.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9446  193.5109  235.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3065  195.4393  237.2131 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5757  198.6367  242.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2971  197.4786  243.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0509  201.3603  246.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8492  198.5358  245.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2222  198.0719  245.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6587  200.1276  242.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.4519  199.9674  244.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.5068  196.7672  245.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0492  196.1979  250.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3277  199.2182  241.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8179  199.1142  236.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9594  196.8977  238.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7135  194.9006  236.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.1131  195.2405  238.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 53  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 50  1  0  0  0  0
  6  5  1  6  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 49  1  6  0  0  0
  8  9  1  0  0  0  0
  8 48  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  6  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  6  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 57  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  6  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 58  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  1  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 30 29  1  1  0  0  0
 30 34  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 47  1  1  0  0  0
 32 33  1  0  0  0  0
 32 46  1  6  0  0  0
 33 34  1  0  0  0  0
 33 35  1  6  0  0  0
 35 39  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 60  1  0  0  0  0
 41 42  2  0  0  0  0
 41 45  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 45 61  1  0  0  0  0
 45 62  1  0  0  0  0
 46 63  1  0  0  0  0
 47 64  1  0  0  0  0
 48 65  1  0  0  0  0
 49 66  1  0  0  0  0
 50 51  1  0  0  0  0
 50 67  1  0  0  0  0
 51 52  2  0  0  0  0
 51 55  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 55 68  1  0  0  0  0
 55 69  1  0  0  0  0
M  END
>  <CHROM.1>
45.94091719,-57.07338060,-53.79129789,-167.07211241,54.41230832,-50.18058695
49.74061822,-25.55236437,90.99675439,-23.98231616,-48.51152318,37.51744818
65.44189613,-54.71295924,-50.02634417,-25.36557831,63.90210884,-73.86963189
-163.41470080,-59.41304025,-179.94685334,123.76375210,175.14357730,166.09385704
202.21106194,197.69376309,242.67395827,-1.20946840,-0.58364178,1.61779563

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448420/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-19.8101

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389091

>  <SCORE.INTRA>
-41.2101

>  <SCORE.INTRA.DIHEDRAL>
-17.043

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-6.26731

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-5.05458

>  <SCORE.INTRA.norm>
-0.749275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
-0.360184

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.198539

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  207.2342  182.6287  248.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3428  183.5983  248.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8124  183.7805  249.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6776  184.8458  250.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0057  185.8249  249.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7121  185.4706  247.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8757  184.4070  247.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4228  187.1345  249.4223 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7558  188.3776  249.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4213  189.3656  250.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0373  190.6866  250.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4932  191.4869  251.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3297  190.9961  253.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8489  189.7523  253.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5175  188.9992  252.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8493  188.5988  252.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3605  187.3811  252.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6904  186.5710  251.8309 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7108  186.9996  253.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5418  187.8203  253.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7661  187.3188  254.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1574  186.0047  253.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3638  185.1968  253.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1572  185.6960  252.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7380  187.4064  249.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2696  188.5885  249.1853 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8882  188.4491  249.2538 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.4946  188.9508  248.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3437  188.8243  250.5746 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9228  186.7065  249.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8873  185.8226  249.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5497  184.4605  249.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2824  184.0110  249.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3104  184.9281  248.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6529  186.2725  248.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 35  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-70.51352077,140.11879649,173.88503083,144.50018584,-69.15996513,-11.89524493
-9.16957289,211.98683734,187.03261374,250.56220307,-2.35989733,-0.32154513
0.55328604

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448421/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-29.7808

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.354286

>  <SCORE.INTRA>
-42.1808

>  <SCORE.INTRA.DIHEDRAL>
-89.445

>  <SCORE.INTRA.DIHEDRAL.0>
112.344

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-2.35532

>  <SCORE.INTRA.norm>
-1.20517

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
-0.85088

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000080

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  206.5098  226.9448  254.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9752  225.8147  254.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6489  226.2051  253.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1052  225.0734  252.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7822  225.4796  251.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2323  224.3501  251.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9062  224.7511  250.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3678  223.6136  249.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0470  224.0036  248.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4913  222.8846  248.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4361  223.0273  246.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0558  221.7882  248.8586 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5548  220.5852  248.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0109  219.5674  249.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4726  218.4168  248.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4790  218.2645  247.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0575  219.2551  246.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5986  220.3888  246.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8770  217.0759  246.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9086  219.6297  250.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9833  221.9028  249.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-179.84728295,-179.79374145,-179.82293617,179.61962574,179.94390206,-179.73346519
-179.57415839,-112.45423222,-173.73672022,199.91064754,222.43907460,249.78481380
-0.14406443,0.83092646,2.47755512

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448422/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.1921

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-0.714225

>  <SCORE.INTRA.DIHEDRAL.0>
1.98523

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.709604

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000205

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  208.3451  197.2542  248.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1609  198.4282  249.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1079  198.3887  250.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2207  197.1674  251.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4073  195.9934  250.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4711  196.0378  249.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1674  197.1007  253.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8255  196.6670  253.7701 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6684  197.5721  253.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1207  198.3438  254.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3173  197.5030  252.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5729  195.3251  253.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5889  198.1004  251.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7234  195.0510  253.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
100.50302851,-57.52580187,-109.02844673,178.32796651,-178.76865373,207.17903710
197.13362447,251.86547037,0.61628065,0.82606729,-0.79020535

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448423/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-6.88173

>  <SCORE.INTRA.DIHEDRAL.0>
8.55754

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.315286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018687

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  198.6392  213.9970  262.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2654  214.2697  261.9666 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.4213  215.0660  260.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5642  216.3356  260.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5180  217.1228  261.8666 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.8514  217.7353  262.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8049  219.1101  261.6241 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.3133  219.4038  261.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7823  220.5026  261.7286 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6135  218.2238  261.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6813  220.0078  262.2831 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7327  221.2876  261.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2645  221.2268  260.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3448  221.2442  259.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7818  221.1708  257.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1452  221.0807  257.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0669  221.0609  258.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6305  221.1342  259.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0362  216.2152  262.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3780  214.9199  262.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
175.47568352,-62.53581461,99.75605329,197.86006969,218.53377665,261.04299651
-2.05905499,0.66671549,-0.14066021

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448424/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.68989

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-1.71011

>  <SCORE.INTRA.DIHEDRAL>
-0.0379976

>  <SCORE.INTRA.DIHEDRAL.0>
0.999054

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.69112

>  <SCORE.INTRA.VDW.0>
0.807384

>  <SCORE.INTRA.norm>
-0.0855057

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.334494

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.065081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  203.8619  207.1809  245.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4027  207.4202  245.2157 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5884  208.0184  246.3863 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0966  208.0824  246.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2259  207.4363  246.5918 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8325  208.8760  244.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7569  207.2053  247.6142 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3167  208.3142  244.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8663  208.8552  244.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3712  206.2734  247.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2067  207.6298  248.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3724  208.5286  243.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  6  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <CHROM.1>
-173.25739650,-172.98806047,115.02254157,-64.14419373,178.47529810,201.34846328
207.82823945,245.78277769,-0.14652675,-0.21918825,1.98489011

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448425/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.26028

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-4.13972

>  <SCORE.INTRA.DIHEDRAL>
-3.89997

>  <SCORE.INTRA.DIHEDRAL.0>
5.19031

>  <SCORE.INTRA.POLAR>
-0.0331247

>  <SCORE.INTRA.POLAR.0>
-0.770078

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.07711

>  <SCORE.INTRA.VDW.0>
1.8839

>  <SCORE.INTRA.norm>
-0.517465

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.532535

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021130

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  200.2619  216.5388  258.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6748  217.4477  257.4114 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9023  218.5740  258.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6048  218.9067  257.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5270  218.2297  257.0433 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6345  217.2707  257.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6805  219.1721  256.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9373  220.3484  258.9178 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.7061  218.0636  256.6282 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2400  218.6512  255.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4758  219.8330  255.6261 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9978  220.3715  254.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2751  221.6838  254.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1808  221.4359  255.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4746  222.6292  255.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2491  219.7400  255.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-121.69509170,165.31633510,96.82120255,57.27326909,71.27312116,-178.45711667
-175.97437885,-59.85386960,179.26797385,197.87434644,219.54811845,257.16734228
0.40348493,-0.63666819,2.31830510

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448434/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.17732

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.893333

>  <SCORE.INTRA>
-10.2227

>  <SCORE.INTRA.DIHEDRAL>
-3.04066

>  <SCORE.INTRA.DIHEDRAL.0>
5.71678

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.30235

>  <SCORE.INTRA.VDW.0>
1.6615

>  <SCORE.INTRA.norm>
-0.681512

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.211821

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019537

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  205.1743  203.5447  256.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5123  204.8968  255.9207 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.5579  205.6836  256.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8296  206.9535  256.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5416  206.8428  256.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2726  205.6536  255.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6251  207.8658  256.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0444  209.0641  257.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3755  209.2142  257.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2689  208.1326  257.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9120  210.4917  258.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8442  210.4198  259.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3006  211.8128  257.8279 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4915  212.2211  256.3512 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.3610  213.1122  256.0578 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2879  212.8603  256.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1570  213.2867  256.7693 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8065  211.9284  257.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0920  211.4980  258.8525 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3469  214.1253  255.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2917  215.3085  255.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9283  216.2033  256.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0632  215.4834  257.6838 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.2082  214.9805  258.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9362  214.4689  259.3754 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6029  214.6182  259.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0440  215.2663  258.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5804  211.0967  255.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4234  210.6976  254.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4221  209.5463  253.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5785  208.7824  253.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7616  209.2145  254.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7672  210.3798  255.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5328  207.1175  252.8337 Br  0  0  0  0  0  0  0  0  0  0  0  0
  206.6309  214.0324  259.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  6  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 35  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
M  CHG  1  23   1
M  END
>  <CHROM.1>
152.71115306,-66.26719960,95.06979708,-67.44056656,-66.63375498,65.34641447
62.54244387,205.07765225,210.23584723,256.16830337,-0.00841087,-1.48833531
1.90812240

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448435/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.29571

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-4.10429

>  <SCORE.INTRA.DIHEDRAL>
2.19002

>  <SCORE.INTRA.DIHEDRAL.0>
7.19233

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.1993

>  <SCORE.INTRA.VDW.0>
-4.85571

>  <SCORE.INTRA.norm>
-0.120715

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.243991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  197.4863  211.8961  250.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9951  211.7790  251.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7003  211.9968  249.7385 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2210  210.8064  249.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1858  213.2577  249.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9490  214.3907  250.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4449  215.6589  249.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1963  215.8354  248.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4344  214.7446  247.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9274  213.4825  248.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-103.97102233,-4.29752453,200.00678530,213.30300562,249.51844703,2.35065607
-0.79493691,-2.94689075

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448436/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.76828

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-1.63172

>  <SCORE.INTRA.DIHEDRAL>
-2.6817

>  <SCORE.INTRA.DIHEDRAL.0>
4.47097

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.290876

>  <SCORE.INTRA.VDW.0>
2.46184

>  <SCORE.INTRA.norm>
-0.163172

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.576828

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  199.2710  212.5240  242.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3402  212.3536  243.3169 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1752  211.2066  242.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0679  210.4566  243.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3670  209.8811  245.1302 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0944  208.7114  245.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4127  209.0275  246.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2175  209.9783  247.5094 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5526  211.1885  246.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2358  210.9025  246.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4273  209.2993  248.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1480  210.2086  249.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8999  210.8303  249.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7596  211.8322  250.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7960  212.1752  251.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0246  211.5605  251.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1919  210.5688  250.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4640  213.2163  252.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1273  213.5054  251.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6524  212.6019  250.9455 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0517  213.6352  243.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6439  213.9423  244.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9516  213.9917  245.2509 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8732  214.1529  246.6209 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8986  214.2399  247.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5930  214.3547  248.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1885  214.4138  249.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2026  214.3349  248.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5325  214.1817  246.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7675  214.0196  245.9511 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 30  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-158.85722766,148.50270176,58.74585136,153.13696355,-178.26934498,100.77547401
109.59368468,201.77148121,212.09600709,247.48905452,1.88905862,1.38669302
-1.94658678

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448437/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.34217

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-6.05783

>  <SCORE.INTRA.DIHEDRAL>
0.710795

>  <SCORE.INTRA.DIHEDRAL.0>
3.98998

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.000152686

>  <SCORE.INTRA.REPUL.0>
0.000152686

>  <SCORE.INTRA.VDW>
-6.41246

>  <SCORE.INTRA.VDW.0>
-0.134485

>  <SCORE.INTRA.norm>
-0.201928

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.211406

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000080

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  195.5717  221.0203  259.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7300  221.8251  258.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4604  222.3172  258.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4679  223.0378  257.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6742  222.7238  256.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3823  221.9831  255.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6981  220.4767  254.9904 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6438  219.4913  255.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9695  220.4798  255.3896 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6789  219.1400  254.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2733  218.7732  254.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5799  220.0809  254.6855 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.5509  221.3183  254.9407 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3748  222.0733  255.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9074  222.2559  254.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3925  221.0262  253.9639 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.6723  220.4025  253.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1902  220.2952  252.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4731  220.8365  251.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0445  220.4469  251.4129 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3730  221.1957  252.6445 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.9610  220.4258  252.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2222  220.3005  251.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0709  219.5915  250.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.3362  220.3972  250.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4314  219.4593  248.9995 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9954  222.6689  252.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8553  222.4280  253.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6212  218.9147  249.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  6  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  6  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
64.84016060,65.97922239,-60.78978782,-60.78426324,166.07216664,-61.56094165
191.60386628,220.94913768,254.12495247,0.60501641,-0.26453167,1.02437704

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448438/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.929556

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-11.3296

>  <SCORE.INTRA.DIHEDRAL>
-5.007

>  <SCORE.INTRA.DIHEDRAL.0>
6.68697

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.82606

>  <SCORE.INTRA.VDW.0>
6.98438

>  <SCORE.INTRA.norm>
-0.404627

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
-0.0331984

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001292

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 55 56  0  0  0  0  0  0  0  0999 V2000
  180.1112  216.5313  256.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1705  215.4600  256.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0581  214.1833  255.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2007  213.1844  255.9375 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.4730  213.7007  256.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5831  212.8490  256.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7668  213.3041  257.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8588  214.6144  257.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7671  215.4660  257.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5696  215.0184  257.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4153  215.9772  256.9378 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.0509  216.3616  258.2615 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.5042  212.7102  254.6271 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.8483  213.5428  255.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.2593  214.3187  254.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0386  213.9154  252.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3853  212.5651  252.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.4130  214.8935  251.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4979  215.3888  250.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6333  216.0943  251.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8999  215.6437  251.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2933  214.3941  250.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0187  216.3741  252.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3383  215.6942  253.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4848  216.3117  254.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6531  215.6707  254.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9274  214.2711  253.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7632  216.3300  255.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5159  217.2848  254.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0546  216.5671  253.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7010  216.7545  251.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6422  217.7235  251.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3397  215.9627  250.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3741  214.9479  249.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0128  214.0330  249.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9348  212.6884  249.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1816  211.9480  250.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6127  211.8146  248.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0153  211.4051  248.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9158  212.5417  248.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1953  213.0143  250.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6156  212.4321  251.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1296  214.1852  250.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5433  213.7230  250.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6612  213.0422  251.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2172  213.6084  252.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7790  215.0102  252.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3240  212.8756  254.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2918  213.3621  255.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8540  213.1349  254.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9989  214.1475  254.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3781  215.6088  254.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5593  213.8923  254.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7480  215.5468  258.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.7554  212.1500  254.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
M  END
>  <CHROM.1>
50.25536127,-70.45463030,62.56495987,124.63345857,105.32163698,-60.34147827
118.91219960,98.93427895,176.92027496,-112.60004600,-81.86143432,-57.93437176
115.61607035,109.34011523,-171.98998593,126.67852810,92.66450306,-58.70676166
100.57448948,-97.99775269,-65.74161788,-106.28559717,-104.12646711,63.94922508
-115.68182362,186.20301565,214.46087596,253.26325920,-2.90046770,0.06893854
-1.74008737

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448439/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.81117

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.535849

>  <SCORE.INTRA>
-24.5888

>  <SCORE.INTRA.DIHEDRAL>
-14.0351

>  <SCORE.INTRA.DIHEDRAL.0>
24.797

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-17.5713

>  <SCORE.INTRA.VDW.0>
5.32877

>  <SCORE.INTRA.norm>
-0.46394

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
0.0719089

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.161136

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  213.1459  186.0867  245.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7812  185.8365  244.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5525  186.6872  243.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1483  186.3804  242.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9713  185.2552  241.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2216  184.4330  243.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6239  184.7225  244.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5225  185.0390  240.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2066  185.8489  239.6937 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2995  183.9190  240.3454 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9138  183.5912  239.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5288  182.3608  238.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9816  182.2650  237.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6822  183.4519  237.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9483  183.7800  235.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5961  185.0694  235.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0373  185.9925  236.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7913  185.6373  237.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0748  184.3289  237.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6645  181.2721  239.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2138  181.4118  241.0159 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3527  180.1412  239.4543 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5827  178.9926  240.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4125  177.9749  239.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7253  176.8715  240.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2113  176.7638  241.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3266  177.7333  242.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0140  178.8304  241.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6022  175.6673  242.6017 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0858  175.9393  243.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6975  187.9231  243.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2705  183.1593  241.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.8242  180.2044  238.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-0.59861354,-170.88618852,-0.97759964,-173.03663330,130.35780410,216.84526568
182.54135622,240.60015754,2.63959090,1.00164080,-0.95572215

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448440/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.17075

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-1.22925

>  <SCORE.INTRA.DIHEDRAL>
-1.16598

>  <SCORE.INTRA.DIHEDRAL.0>
5.0254

>  <SCORE.INTRA.POLAR>
0.00610702

>  <SCORE.INTRA.POLAR.0>
-0.0657798

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.667018

>  <SCORE.INTRA.VDW.0>
1.07153

>  <SCORE.INTRA.norm>
-0.0396531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.295831

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  205.5571  190.0674  245.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8662  190.8591  245.4024 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6242  192.3318  245.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8328  193.2368  245.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2113  193.2852  244.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3494  192.8021  243.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4808  192.1987  244.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5835  192.8390  242.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9714  190.2106  246.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4603  188.9231  245.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6160  188.7587  245.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-172.96292272,72.82525415,60.95211508,-113.41318536,117.29084459,208.24880079
191.37145407,244.85996925,2.10982669,-0.45394270,2.75649961

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448441/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.83725

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-1.56275

>  <SCORE.INTRA.DIHEDRAL>
-0.845535

>  <SCORE.INTRA.DIHEDRAL.0>
2.80617

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13998

>  <SCORE.INTRA.VDW.0>
0.35318

>  <SCORE.INTRA.norm>
-0.142068

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.803386

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  208.0333  194.8085  248.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6627  193.6885  248.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3903  193.8147  247.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4560  195.0659  246.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8506  196.1786  246.9630 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1566  196.0167  248.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1683  195.3056  245.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8818  194.4546  244.4720 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3005  195.1365  243.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8632  196.4518  243.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1535  196.5362  244.5683 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1555  197.3723  242.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9197  196.9193  241.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3557  195.5787  241.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0622  194.6835  242.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2596  197.8358  240.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8316  199.0817  240.1730 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.0511  199.7386  239.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2482  199.4243  240.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9884  197.4123  239.1529 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0166  192.7195  246.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6632  197.3338  244.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3572  196.4674  239.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2326  198.0067  238.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4762  192.9562  245.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
179.67196378,-2.68935731,-1.27556644,210.57492409,195.76014144,244.15291118
2.37046714,-0.98005814,2.66216896

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448450/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.39538

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-5.00462

>  <SCORE.INTRA.DIHEDRAL>
-3.5311

>  <SCORE.INTRA.DIHEDRAL.0>
3.57063

>  <SCORE.INTRA.POLAR>
-0.88612

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.109694

>  <SCORE.INTRA.REPUL.0>
0.109694

>  <SCORE.INTRA.VDW>
0.322208

>  <SCORE.INTRA.VDW.0>
-0.604037

>  <SCORE.INTRA.norm>
-0.263401

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.126073

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048411

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  186.8909  212.2024  255.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0319  212.6486  254.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4867  213.9086  254.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6304  214.2823  253.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0330  215.4417  253.6426 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1893  213.3165  252.7900 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6879  212.1194  252.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6433  211.7575  253.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1878  211.1009  252.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7101  209.8211  252.0341 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3095  209.0047  251.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9141  207.5871  251.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4600  206.6521  250.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8258  205.3582  250.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0669  204.1755  250.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4254  202.9122  250.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2333  202.9118  251.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6453  201.7048  251.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2504  200.4963  251.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4318  200.4856  250.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0195  201.6930  250.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5392  199.0102  251.6948 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.8869  205.5596  251.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8053  207.0675  251.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5329  206.7656  249.4792 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0510  205.6569  248.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5832  205.5771  248.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2100  206.8330  248.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7194  207.8681  249.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2005  208.0466  249.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3486  210.7892  253.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9600  211.3862  251.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 24  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.98153562,179.39835568,-179.93807369,179.53354637,19.19153955,189.84421126
207.06837963,251.42648128,1.53013367,0.66181920,0.24744124

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448451/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-27.6036

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-38.0036

>  <SCORE.INTRA.DIHEDRAL>
-86.676

>  <SCORE.INTRA.DIHEDRAL.0>
88.8577

>  <SCORE.INTRA.POLAR>
-0.000407964

>  <SCORE.INTRA.POLAR.0>
-0.0912269

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
5.33582

>  <SCORE.INTRA.VDW.0>
-2.47073

>  <SCORE.INTRA.norm>
-1.26679

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.920119

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001300

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  212.2875  238.0183  303.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7096  238.5742  302.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1438  237.7193  301.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4622  238.2546  299.8216 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9243  237.5550  298.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6470  236.5508  298.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1013  235.8572  296.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8084  236.1366  296.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0715  237.1214  297.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6131  237.8434  298.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7411  238.9076  298.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1912  239.6429  299.8984 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3773  240.5884  300.4726 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8692  241.3496  301.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0422  241.3356  301.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8300  242.3147  302.1760 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.2153  242.8107  303.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1528  243.7755  304.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3964  241.6548  304.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7137  243.4720  301.2842 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0134  243.4269  300.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4610  242.3997  299.7218 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9736  244.6662  299.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5984  245.8154  299.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5392  247.0240  299.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8680  247.0934  297.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2760  245.9484  297.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3343  244.7443  298.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7516  243.6677  297.4877 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.4299  240.7251  300.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.2855  244.2842  301.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 16 14  1  6  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
176.90302038,-177.21445816,-94.56993964,0.82207382,178.51740926,161.76873336
179.24657815,76.52116383,-2.97285207,209.71374547,241.19224927,300.06295585
-0.36609354,-1.07253009,1.20408109

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448452/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.9499

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496552

>  <SCORE.INTRA>
-5.4501

>  <SCORE.INTRA.DIHEDRAL>
4.20488

>  <SCORE.INTRA.DIHEDRAL.0>
2.879

>  <SCORE.INTRA.POLAR>
-0.413015

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.14828

>  <SCORE.INTRA.VDW.0>
3.44597

>  <SCORE.INTRA.norm>
-0.187934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.308617

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  205.8251  192.9174  245.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6745  192.2717  244.0967 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.9189  191.6061  244.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6722  190.8937  243.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8906  191.7416  242.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1616  192.9177  242.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1141  193.3417  243.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4734  193.6945  240.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4754  193.1635  240.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0808  191.9330  240.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8078  191.2393  241.4692 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9413  191.2812  239.4813 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9475  193.8481  238.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3474  194.3890  237.9451 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7829  195.0054  240.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2400  195.2873  239.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6366  196.5179  239.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4694  197.4610  240.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9440  197.2158  241.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6387  196.0285  241.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8522  198.6186  239.7633 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.5868  191.1533  238.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8401  191.7532  239.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  3  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-131.15150678,-51.72680885,208.10067943,193.91865499,241.23601368,1.17690384
-0.80403086,2.34287284

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448453/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.21416

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-0.185836

>  <SCORE.INTRA.DIHEDRAL>
0.605324

>  <SCORE.INTRA.DIHEDRAL.0>
2.56806

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.488498

>  <SCORE.INTRA.VDW.0>
-0.725542

>  <SCORE.INTRA.norm>
-0.00884933

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.343532

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  218.3514  173.2160  245.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8566  173.7321  246.7634 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7992  174.7245  246.8205 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.9390  174.4990  248.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8454  174.6385  249.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0715  173.9010  249.0838 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5934  173.4655  247.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6510  172.8403  247.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9562  174.6639  245.6417 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6565  173.7059  249.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2444  175.3852  245.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4761  173.7682  245.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
-178.83240325,217.56483856,173.95085012,247.41888594,-2.63040752,-0.49275006
1.46023912

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448454/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.2324

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.167602

>  <SCORE.INTRA.DIHEDRAL>
-0.0453735

>  <SCORE.INTRA.DIHEDRAL.0>
0.0653031

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.144915

>  <SCORE.INTRA.VDW.0>
0.268166

>  <SCORE.INTRA.norm>
-0.0186224

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.692489

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.078390

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  196.0158  213.6884  257.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7591  215.0243  258.0932 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5541  215.0187  259.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7502  214.0633  259.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6348  214.4325  258.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8046  214.4475  256.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6358  215.3656  256.9317 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0949  216.7820  256.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9992  217.7919  256.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5839  217.5977  255.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0408  216.3408  254.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8740  215.8976  255.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2253  216.6320  256.1024 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3947  214.5150  255.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1492  213.6454  254.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7067  212.3435  254.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5101  211.8911  254.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7521  212.7418  255.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1888  214.0484  255.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-72.98417793,-67.75554835,62.26199833,65.23835181,0.37651628,0.51509722,196.13606217
214.90726025,256.37392714,-0.12319572,0.66888626,2.80881301

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448455/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.53083

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.86917

>  <SCORE.INTRA.DIHEDRAL>
-0.147828

>  <SCORE.INTRA.DIHEDRAL.0>
0.960162

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79525

>  <SCORE.INTRA.VDW.0>
-0.36914

>  <SCORE.INTRA.norm>
-0.0983773

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.501623

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018317

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  166.6739  266.4333  361.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.6826  265.3493  360.3648 P   0  0  1  0  0  0  0  0  0  0  0  0
  168.8462  266.3503  360.4715 O   0  0  0  0  0  0  0  0  0  0  0  0
  168.1213  264.3591  362.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.6512  263.2315  362.6621 N   0  3  0  0  0  0  0  0  0  0  0  0
  168.1914  263.1893  363.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.9279  262.3608  365.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.6237  262.6403  366.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.5182  263.7204  366.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.7605  264.5680  365.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.0784  264.2676  364.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.0542  264.8975  362.8787 N   0  0  0  0  0  0  0  0  0  0  0  0
  166.6582  262.2878  362.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.4799  261.0764  362.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
  165.8651  260.0308  362.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  165.4483  260.2024  360.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  165.5852  261.4407  360.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.1733  262.4943  360.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.6361  264.3246  359.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
  169.6066  265.7031  362.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
  168.2913  263.4075  359.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
98.39282541,-28.58259723,169.00883113,167.70788029,263.53866089,362.35814342
-2.34481646,0.97490455,2.20504497

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448456/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.39988

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-3.00012

>  <SCORE.INTRA.DIHEDRAL>
-6.32993

>  <SCORE.INTRA.DIHEDRAL.0>
15.3883

>  <SCORE.INTRA.POLAR>
-0.0244534

>  <SCORE.INTRA.POLAR.0>
-0.0134283

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.247992

>  <SCORE.INTRA.VDW.0>
-1.76714

>  <SCORE.INTRA.norm>
-0.157901

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.231573

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  195.4518  222.8149  245.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4538  222.2090  246.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6784  220.8611  246.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5366  220.1079  246.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5562  218.7525  246.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3985  217.8607  247.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2697  218.3098  248.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2211  219.6724  248.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3725  220.5674  247.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1754  217.2970  248.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6394  216.7952  250.0789 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3493  216.1360  249.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1198  214.8341  249.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8155  214.6247  249.4874 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1754  215.7982  249.7674 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0886  216.7126  250.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7520  218.4014  250.2780 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.9873  218.4573  249.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7558  218.3874  248.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8544  217.1741  247.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5581  217.1130  246.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1580  218.2581  245.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0529  219.4674  246.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3471  219.5214  247.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1975  220.6922  248.2074 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.1530  213.8232  249.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3322  216.1648  250.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-178.92518640,170.75568725,-96.55812777,59.33371252,81.28716387,165.68177676
-74.43994030,77.04184327,196.79337314,218.30566584,248.15616468,-2.04132942
0.16896436,2.67019993

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448457/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.28656

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-8.11344

>  <SCORE.INTRA.DIHEDRAL>
-3.51231

>  <SCORE.INTRA.DIHEDRAL.0>
6.19966

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.35728

>  <SCORE.INTRA.VDW.0>
-0.800861

>  <SCORE.INTRA.norm>
-0.312055

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.203329

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  199.7262  206.2107  252.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0572  207.2506  252.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7319  207.3030  251.7904 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.0510  205.9190  252.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8702  205.4479  253.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3997  205.4632  252.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7339  204.3962  253.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1435  203.9820  253.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0967  204.5219  253.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2061  202.8993  254.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5055  202.3235  254.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4464  203.1960  255.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5381  203.0183  256.7142 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1007  204.1768  254.7678 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0065  205.1240  255.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4156  206.1854  254.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2343  207.1939  255.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6682  207.1270  256.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3133  206.0527  257.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4895  205.0514  256.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4337  208.0973  256.8533 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.6743  208.5306  254.0139 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.7390  204.3545  253.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-179.90543587,0.29324719,176.32732622,71.76959962,91.98959706,-169.62247388
206.42201404,205.71976621,254.33449733,-3.10297666,0.34165553,2.80186045

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448458/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.352

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-1.04797

>  <SCORE.INTRA.DIHEDRAL>
-1.40358

>  <SCORE.INTRA.DIHEDRAL.0>
3.71519

>  <SCORE.INTRA.POLAR>
-0.236707

>  <SCORE.INTRA.POLAR.0>
-0.413954

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.458621

>  <SCORE.INTRA.VDW.0>
-0.229254

>  <SCORE.INTRA.norm>
-0.0476351

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.470547

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000247

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  215.7608  179.8779  244.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1197  180.9436  244.5746 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4534  182.0439  243.8685 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4872  183.1684  243.8664 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.2959  183.7716  245.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5080  184.5540  245.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6743  183.6649  246.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9255  183.2794  247.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4233  183.3083  245.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0363  184.1727  242.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1481  184.1485  242.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1204  185.1307  242.5391 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3898  182.3978  244.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1881  182.7405  245.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5134  185.7556  241.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  1  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
159.96965885,63.99922186,70.20787944,-12.04317459,-70.94242889,-97.58376346
179.38282974,179.50594903,215.61907268,183.19909951,244.47168842,0.42117377
1.10253260,-3.04469399

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448459/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.29113

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-6.10887

>  <SCORE.INTRA.DIHEDRAL>
-0.0121179

>  <SCORE.INTRA.DIHEDRAL.0>
3.45838

>  <SCORE.INTRA.POLAR>
-0.867643

>  <SCORE.INTRA.POLAR.0>
-0.132357

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.15282

>  <SCORE.INTRA.VDW.0>
1.40485

>  <SCORE.INTRA.norm>
-0.509072

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.440928

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  220.9848  182.3128  246.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6419  182.1737  245.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3635  180.8367  244.8505 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.8150  180.8183  243.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3991  182.0251  242.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8429  182.3427  242.4007 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.6328  183.5570  241.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8325  181.2060  241.9091 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.4201  180.4895  240.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0194  179.0319  240.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9762  178.8145  242.2577 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.1688  180.0098  242.7739 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.2059  179.9253  244.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7391  178.5116  244.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4862  177.2813  244.2545 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.4956  177.4320  242.7047 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.4561  176.4208  242.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1922  175.0442  242.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5671  174.7252  243.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0358  175.7701  244.6834 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.6626  175.3609  246.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5197  173.8533  246.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2549  173.0285  245.3346 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.5640  173.2389  243.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2858  171.6499  245.6845 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4998  175.6657  244.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6520  179.9075  242.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8760  179.6326  245.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4487  178.2639  245.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3989  179.6096  245.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7724  171.5518  246.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  8  6  1  1  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  6  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  1  0  0  0
 25 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
168.79645373,-48.23715931,171.61905762,-54.62829633,-179.44376343,-42.54401700
-62.01947087,219.46684806,178.29216928,243.89213811,-1.22712503,0.85023290
2.67468691

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448460/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39328

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-4.00672

>  <SCORE.INTRA.DIHEDRAL>
-0.0628869

>  <SCORE.INTRA.DIHEDRAL.0>
3.98379

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.97528

>  <SCORE.INTRA.VDW.0>
3.05321

>  <SCORE.INTRA.norm>
-0.133557

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.246443

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003199

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  198.3033  214.6549  251.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3075  215.1883  250.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0434  216.5804  251.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1650  217.1664  250.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5702  216.5901  249.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9848  218.6467  250.6593 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2806  219.4082  250.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0214  219.9196  251.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7659  219.7937  253.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9325  219.0655  253.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5834  221.1664  253.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8096  219.4317  249.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9369  219.8524  248.8660 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8907  219.0162  248.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3348  219.0307  246.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1880  218.5296  246.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9456  219.2570  249.8810 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2644  219.2442  248.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
179.49092395,2.22293823,63.34164934,-111.91785204,-64.09073113,-170.30401782
118.66423494,179.31659971,179.61699459,197.16284501,218.40593171,250.29985995
0.33060308,1.29081151,2.69447205

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448461/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.20237

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.788235

>  <SCORE.INTRA>
-11.1976

>  <SCORE.INTRA.DIHEDRAL>
-17.4572

>  <SCORE.INTRA.DIHEDRAL.0>
20.055

>  <SCORE.INTRA.POLAR>
-0.653013

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.248793

>  <SCORE.INTRA.VDW.0>
-0.451381

>  <SCORE.INTRA.norm>
-0.658684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.129551

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010273

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  252.8138  202.8305  240.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
  253.5396  203.9479  239.5186 P   0  0  0  0  0  0  0  0  0  0  0  0
  254.8770  203.2529  239.8225 O   0  0  0  0  0  0  0  0  0  0  0  0
  252.9678  203.0443  238.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
  254.2655  205.0652  238.4152 O   0  0  0  0  0  0  0  0  0  0  0  0
  253.1715  206.3711  238.1137 P   0  0  1  0  0  0  0  0  0  0  0  0
  254.3431  207.0073  237.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
  252.4768  205.4366  236.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
  252.0775  207.6769  237.8123 O   0  5  0  0  0  0  0  0  0  0  0  0
  251.8628  202.9999  240.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
  252.5928  203.6610  237.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
  252.2039  206.1285  236.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 12  1  0  0  0  0
M  CHG  1   9  -1
M  END
>  <CHROM.1>
-171.19620430,135.48470461,-43.24596861,173.14039738,-147.58389958,253.36619654
204.98116591,238.58209789,1.44102324,0.19219734,2.62627939

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448462/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
-0.964981

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13124

>  <SCORE.INTRA.VDW.0>
0.0650346

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.723460

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  201.3618  214.1983  248.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7627  213.5386  247.1811 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3948  214.0347  246.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7024  213.3375  245.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6918  211.8184  245.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1343  211.3411  246.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8327  212.0795  247.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9504  211.4204  247.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6103  211.6830  247.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9829  212.0947  246.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9960  211.3915  248.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9126  209.8672  248.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3694  209.4356  250.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2027  208.0766  250.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6367  207.1161  249.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2376  207.5077  248.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3718  208.8694  248.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9415  212.1571  249.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9858  211.5163  250.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9392  212.2539  251.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8684  213.6423  251.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8352  214.2982  250.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8819  213.5648  249.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6790  211.9773  248.8441 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6215  211.5055  248.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
64.02978023,8.90642730,-71.41765435,-178.78286830,-97.96153682,63.52046897
197.49276933,211.59463030,248.41020619,0.08353195,0.76591084,1.09549572

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448463/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.95133

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-2.44867

>  <SCORE.INTRA.DIHEDRAL>
-0.346281

>  <SCORE.INTRA.DIHEDRAL.0>
3.33925

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27553

>  <SCORE.INTRA.VDW.0>
-1.57916

>  <SCORE.INTRA.norm>
-0.0979468

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.358053

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014694

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 47  0  0  0  0  0  0  0  0999 V2000
  207.0322  197.5056  245.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6182  198.0677  244.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3265  199.0307  243.7998 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8229  199.4254  243.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2224  200.3504  243.7955 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.8288  200.6899  242.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6919  199.9477  241.8139 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3272  201.7435  241.5430 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6253  202.0152  240.0850 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3549  202.1995  239.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6027  202.4308  237.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3689  201.0096  239.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5858  203.2424  239.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1468  204.3871  240.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9641  203.0212  239.9454 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5942  201.7126  239.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8768  204.1890  239.9613 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6842  205.1300  238.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8454  204.8970  241.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8224  204.9440  242.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6831  205.5883  241.6327 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4772  206.2341  242.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6290  205.3981  243.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4193  204.2059  244.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9501  204.1008  245.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5117  203.2919  243.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3150  202.1555  243.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0358  201.3761  244.9765 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6142  202.6898  244.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3710  203.1646  243.8032 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4304  203.7213  246.2514 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.3950  202.8963  247.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7664  203.7792  248.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0335  205.1816  247.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0262  205.1604  246.6163 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8643  206.3011  246.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7237  207.1277  245.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1182  206.4494  247.6222 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6521  206.8467  249.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6885  207.0472  250.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5882  208.2407  249.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2278  207.2407  251.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9637  205.3121  247.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9505  202.5390  242.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9370  205.6319  240.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0080  200.9626  245.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.3853  205.1207  246.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  6  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  2  0  0  0  0
 31 29  1  6  0  0  0
 31 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 43  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 43 47  1  0  0  0  0
M  END
>  <CHROM.1>
176.52398460,134.51171790,-69.04796598,-117.84843859,127.46208983,-178.01236856
-82.74598156,-60.85774583,114.98847488,-98.69741440,71.04974418,102.75985095
176.25435137,-58.49393026,105.31020719,-74.68410146,-179.61599781,61.47779906
64.07317748,207.01686123,203.48073169,243.91510202,1.45035490,-0.96565561
-2.13945766

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448464/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.13585

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.544186

>  <SCORE.INTRA>
-24.5359

>  <SCORE.INTRA.DIHEDRAL>
-5.92513

>  <SCORE.INTRA.DIHEDRAL.0>
23.167

>  <SCORE.INTRA.POLAR>
-2.27345

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-13.8436

>  <SCORE.INTRA.VDW.0>
1.37798

>  <SCORE.INTRA.norm>
-0.570601

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
-0.0264152

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017679

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  211.8881  197.2776  253.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2183  196.0157  253.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5791  195.1161  253.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4214  195.2263  251.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1795  194.0801  250.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0298  194.1773  249.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1197  195.4200  248.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3588  196.5660  249.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5090  196.4705  251.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2657  195.7853  255.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6467  194.6578  255.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6734  194.4432  257.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3219  195.3521  258.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9486  196.4729  257.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9231  196.6893  256.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
178.47129480,157.56182019,210.88125639,195.59948852,253.48889900,-1.18100015
-1.14287790,-1.25641345

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448465/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.19859

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-6.20141

>  <SCORE.INTRA.DIHEDRAL>
-23.7089

>  <SCORE.INTRA.DIHEDRAL.0>
25.5827

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
5.65302

>  <SCORE.INTRA.VDW.0>
-1.12864

>  <SCORE.INTRA.norm>
-0.413427

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.0799061

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  211.6485  184.5496  242.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7612  185.8910  243.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7479  186.2570  244.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6161  186.6255  243.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6676  187.9129  243.7684 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8286  188.9702  242.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1261  189.4141  242.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3126  190.5499  241.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2098  191.2624  241.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9198  190.8199  241.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7256  189.6658  242.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1341  188.0817  245.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9736  187.8117  245.3592 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0357  188.5385  246.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3828  188.8151  245.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2553  189.2902  246.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7757  189.4882  248.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4501  189.1690  248.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5923  188.6727  247.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6611  190.0417  249.1712 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.8356  190.2812  248.8593 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1741  190.2498  250.2922 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
-179.78604793,107.68946517,-91.76232798,-56.51532110,1.68031929,211.65975180
188.70140536,245.09978193,2.98553088,-1.23704565,-0.37988057

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448474/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1125

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-4.2875

>  <SCORE.INTRA.DIHEDRAL>
-6.19525

>  <SCORE.INTRA.DIHEDRAL.0>
7.71549

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.18987

>  <SCORE.INTRA.VDW.0>
-2.07868

>  <SCORE.INTRA.norm>
-0.194886

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.277841

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  208.1808  200.6499  251.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2874  201.6327  251.1002 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7443  202.9161  251.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9459  203.9175  251.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3279  205.2954  251.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5289  205.6677  250.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3498  204.6691  250.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9607  203.3136  250.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0763  207.4708  250.8609 Br  0  0  0  0  0  0  0  0  0  0  0  0
  206.2522  206.1774  252.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2826  205.1295  252.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6654  203.8483  252.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8176  202.8550  252.6250 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7571  203.4290  253.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7924  205.1533  253.2915 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.7123  202.6793  253.6589 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6593  201.3047  253.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5330  200.5107  253.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4184  200.7456  254.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3436  201.5559  254.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2050  200.9663  255.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1131  199.5871  255.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1767  198.7742  255.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3247  199.3523  254.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1702  201.7401  255.6135 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.0251  203.2410  254.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-130.34583171,4.41951545,4.76775733,205.09744182,203.57798411,252.58487151
-0.52785749,-0.44221738,-3.12543773

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448475/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.70015

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-2.69985

>  <SCORE.INTRA.DIHEDRAL>
-2.45943

>  <SCORE.INTRA.DIHEDRAL.0>
5.81484

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0665344

>  <SCORE.INTRA.REPUL.0>
0.0665344

>  <SCORE.INTRA.VDW>
-1.13746

>  <SCORE.INTRA.VDW.0>
1.61794

>  <SCORE.INTRA.norm>
-0.107994

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.228006

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  199.3358  217.7790  255.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7087  216.8681  254.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5883  216.1129  254.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0017  215.2414  253.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5209  215.0868  252.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6457  215.8570  252.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2307  216.7380  253.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9432  214.1814  251.6775 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9372  213.2103  252.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8593  212.2691  250.8667 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2535  213.1273  249.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1612  214.1691  250.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8938  214.8684  249.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8334  211.1336  251.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8317  210.9217  250.3941 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4851  210.4101  252.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5255  209.5755  252.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7273  210.3961  253.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8596  210.0606  252.7942 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4060  211.4590  253.9693 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3118  212.4243  254.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9456  213.1905  255.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8235  214.1538  256.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0736  214.3697  255.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4247  213.6160  254.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5523  212.6588  253.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9966  215.3956  256.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7599  216.0583  257.0639 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1147  215.4736  255.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0833  216.4300  255.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4615  211.4708  254.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-10.41278007,-113.38718980,-162.50631841,62.19744952,-132.81185084,-161.57155973
2.36284577,179.67928904,198.88946381,213.74931059,253.35933194,0.63131657
-0.73222376,0.09017772

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448476/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2566

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-3.14336

>  <SCORE.INTRA.DIHEDRAL>
-0.807099

>  <SCORE.INTRA.DIHEDRAL.0>
6.08479

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.87969

>  <SCORE.INTRA.VDW.0>
1.77105

>  <SCORE.INTRA.norm>
-0.104779

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.341888

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000383

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  219.5382  188.2493  242.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4664  187.6397  243.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2680  187.3428  242.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5433  186.4111  241.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5555  186.9936  240.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7838  187.4106  241.4284 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0118  186.9903  240.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1002  186.1656  240.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2883  187.5088  241.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3452  188.6714  242.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5530  189.0884  242.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7292  188.3832  242.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6952  187.2750  241.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4780  186.8337  241.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5811  190.2604  243.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4862  190.1114  244.7975 F   0  0  0  0  0  0  0  0  0  0  0  0
  223.9160  191.4239  243.1651 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.3819  190.4838  244.3888 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-17.69946110,144.61842752,221.60808903,188.29922421,242.42463893,2.60123632
-0.13864705,-2.37069979

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448477/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.59918

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.800819

>  <SCORE.INTRA.DIHEDRAL>
-4.10516

>  <SCORE.INTRA.DIHEDRAL.0>
5.77701

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.25176

>  <SCORE.INTRA.VDW.0>
-0.626843

>  <SCORE.INTRA.norm>
-0.0444899

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.366621

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.252203

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  192.0502  215.2870  255.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1862  215.2307  256.4960 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9065  215.2660  257.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0853  215.0221  258.7285 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1950  215.9015  259.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4787  215.7949  258.4944 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1765  216.2011  257.0123 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.8196  217.7414  256.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8376  218.5749  257.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2488  219.8848  257.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2718  220.0710  258.4028 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5061  218.9125  259.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4002  218.5561  260.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3252  217.2392  260.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4054  216.3142  260.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5376  216.6819  259.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6070  217.9924  258.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0163  221.2981  258.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7502  215.2187  259.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1156  216.9001  259.2849 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.0327  217.8111  259.9424 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7150  217.1020  257.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6721  216.9201  260.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7865  216.5822  261.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9544  218.2128  260.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  1  0  0  0
  6  5  1  1  0  0  0
  6 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
-60.92443549,-65.50894797,58.33017895,192.10072171,217.20793730,258.72418120
-3.00916668,0.26650695,0.75879038

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448478/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.91191

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-0.488094

>  <SCORE.INTRA.DIHEDRAL>
-0.10612

>  <SCORE.INTRA.DIHEDRAL.0>
0.316096

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.435034

>  <SCORE.INTRA.VDW.0>
-0.0445311

>  <SCORE.INTRA.norm>
-0.0195237

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.316476

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000360

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  207.1955  190.4586  246.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7796  189.2011  247.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6206  188.6005  246.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8764  189.2990  245.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2962  190.5479  245.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4507  191.1336  245.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5758  191.1946  244.4850 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.2270  187.2676  247.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8628  186.4744  248.1188 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1679  185.2684  248.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1515  185.3816  247.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1363  186.5759  246.7922 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1947  186.8325  245.8437 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4685  185.7538  245.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8659  184.4033  246.8660 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.3569  185.5778  244.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7490  184.8062  243.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6827  185.2834  242.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0716  184.4945  241.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5207  183.2279  241.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5687  182.7505  242.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1806  183.5372  243.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0280  182.2385  240.0362 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.4133  186.8416  242.7508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-1.83677981,97.63146362,-65.72250101,203.81160132,186.27469377,244.71979478
-0.30859897,-1.14858899,-1.21117569

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448479/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.50319

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-1.89681

>  <SCORE.INTRA.DIHEDRAL>
-2.96046

>  <SCORE.INTRA.DIHEDRAL.0>
4.99589

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.416575

>  <SCORE.INTRA.VDW.0>
-2.02516

>  <SCORE.INTRA.norm>
-0.0790336

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.270966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000365

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  216.7777  190.8676  243.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4114  190.8405  245.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6045  190.8157  246.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1762  190.8833  247.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5656  190.9545  247.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3820  190.9323  246.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8035  190.8786  245.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3032  191.2300  249.2043 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.5626  191.9101  248.9906 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2715  191.8409  250.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5792  189.7019  249.7965 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8837  189.2808  251.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0058  187.7648  250.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0816  187.4943  249.8788 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3125  188.6252  249.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5064  188.8295  248.0749 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.1983  187.3931  247.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8708  187.4586  246.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6643  187.4999  247.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4431  187.5572  246.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4031  187.6078  244.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5939  187.5992  244.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8211  187.5232  244.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9781  187.5634  247.2529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-151.47320264,-117.01675592,-138.99235739,67.23258110,-61.42568567,218.80670686
189.30426559,247.53821030,2.48606623,0.94812288,-2.60585212

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448480/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.51892

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-3.88108

>  <SCORE.INTRA.DIHEDRAL>
1.01935

>  <SCORE.INTRA.DIHEDRAL.0>
4.27095

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.39076

>  <SCORE.INTRA.VDW.0>
-3.21795

>  <SCORE.INTRA.norm>
-0.161712

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.271621

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000377

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  214.9284  177.3869  241.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2016  176.7038  242.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6218  177.2374  243.8337 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9843  176.7141  244.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3660  175.4545  244.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7163  174.9818  246.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6889  175.7493  247.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3092  176.9982  247.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9501  177.4941  246.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5291  178.8412  246.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2625  179.8252  245.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3203  179.7563  244.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5027  178.9156  243.8378 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5664  180.9241  243.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4864  181.5901  244.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9075  181.0370  245.3101 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9252  182.8795  243.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8367  183.6644  244.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2413  184.9825  243.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1728  185.7326  244.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5680  187.0002  244.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0275  187.5372  242.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0841  186.8126  242.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6878  185.5461  242.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
177.83999143,23.26158445,51.60798467,-179.84054925,178.19579772,214.63755435
180.50900040,244.32519244,-3.06324931,1.26883111,1.30060335

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448481/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.89641

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-4.50359

>  <SCORE.INTRA.DIHEDRAL>
-7.1529

>  <SCORE.INTRA.DIHEDRAL.0>
16.021

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.927144

>  <SCORE.INTRA.VDW.0>
0.376253

>  <SCORE.INTRA.norm>
-0.18765

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.245684

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004511

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  209.6936  184.8643  248.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6144  184.3791  247.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0391  184.1095  247.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9031  183.5934  246.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4308  182.3331  246.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8396  181.2658  246.9665 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2936  180.0224  246.2342 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.7981  180.3250  244.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7807  181.1464  244.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2329  182.4036  244.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5224  183.3947  244.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1055  178.7405  246.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8035  178.3535  245.3718 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0847  178.0896  247.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7089  180.9310  248.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1125  181.1139  248.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9744  180.9847  249.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4659  180.5888  250.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1091  180.2852  250.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2234  180.4466  249.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9862  179.9237  249.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8446  180.7620  249.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5133  178.4696  248.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  1  0  0  0
  7  8  1  0  0  0  0
  7 12  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
178.64625702,-59.63366502,-37.92279192,-28.59092103,-102.51437885,3.47647051
-68.89979056,212.11593157,181.26985572,247.31775151,2.61268651,1.31799678
-1.89706476

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448490/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07273

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-3.32727

>  <SCORE.INTRA.DIHEDRAL>
0.0220826

>  <SCORE.INTRA.DIHEDRAL.0>
8.10116

>  <SCORE.INTRA.POLAR>
-0.999186

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0589245

>  <SCORE.INTRA.VDW.0>
-3.48669

>  <SCORE.INTRA.norm>
-0.151239

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.366942

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000676

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  195.6250  210.0352  253.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3253  208.7803  254.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7994  207.7369  253.7518 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3384  206.5920  254.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5289  207.4356  253.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <CHROM.1>
-172.36159318,195.02937925,208.27272915,254.16499983,0.12326625,-1.20792621
-1.55889867

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448491/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33524

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-0.0647644

>  <SCORE.INTRA.DIHEDRAL>
0.0861602

>  <SCORE.INTRA.DIHEDRAL.0>
0.000415797

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.107845

>  <SCORE.INTRA.VDW.0>
0.171186

>  <SCORE.INTRA.norm>
-0.0161911

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.58381

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066303

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  252.3625  258.7758  125.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
  253.6121  258.9848  126.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  254.7511  258.5761  125.4253 O   0  0  0  0  0  0  0  0  0  0  0  0
  255.9140  258.7386  126.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
  257.1111  258.4228  125.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  258.3189  258.6013  126.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
  259.4816  258.2361  125.8525 F   0  0  0  0  0  0  0  0  0  0  0  0
  258.4839  259.9028  126.8012 F   0  0  0  0  0  0  0  0  0  0  0  0
  258.2496  257.8910  127.5982 F   0  0  0  0  0  0  0  0  0  0  0  0
  257.2853  257.9077  124.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
  256.1501  257.8013  123.5470 F   0  0  0  0  0  0  0  0  0  0  0  0
  258.1212  258.6906  123.5474 F   0  0  0  0  0  0  0  0  0  0  0  0
  257.8302  256.6614  124.2858 F   0  0  0  0  0  0  0  0  0  0  0  0
  255.8620  259.2230  127.4048 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.63692170,-179.97751746,179.00796816,1.67644489,256.79084300,258.44439657
125.59907942,3.13043211,-0.09215599,1.21442417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448492/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.9551

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-2.4449

>  <SCORE.INTRA.DIHEDRAL>
-2.39606

>  <SCORE.INTRA.DIHEDRAL.0>
3.873

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.24687

>  <SCORE.INTRA.VDW.0>
1.46919

>  <SCORE.INTRA.norm>
-0.174636

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.496793

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.113926

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  202.8293  200.6921  248.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8123  199.9150  247.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6924  200.2246  246.0137 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6657  201.6584  245.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6457  202.4125  246.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8944  202.2060  248.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1031  202.8673  248.5426 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2281  204.1361  249.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5703  204.1996  249.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0896  205.3767  249.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2339  206.4796  250.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8821  206.3784  249.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3471  205.2065  249.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7490  207.7659  250.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9196  208.3108  251.7046 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.9525  207.6059  251.3908 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.9397  208.7321  249.8320 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.1795  203.0116  249.1490 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2703  202.1933  248.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7206  199.5203  245.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9916  200.3497  244.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5061  200.4442  243.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4915  200.9942  246.0536 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5764  201.9390  245.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0182  203.3263  245.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2319  204.3768  246.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4997  205.5457  246.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7549  205.3485  245.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9501  203.7718  244.5909 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.9302  201.0289  246.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-93.80600536,-145.03968046,-136.32843609,-133.41494292,96.81466858,118.25425131
205.25326888,203.72481480,247.68075187,1.65114318,-0.77420600,-2.42558671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448493/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.46857

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-5.93143

>  <SCORE.INTRA.DIHEDRAL>
-0.352282

>  <SCORE.INTRA.DIHEDRAL.0>
6.65768

>  <SCORE.INTRA.POLAR>
-0.951784

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.51922

>  <SCORE.INTRA.VDW.0>
-2.3922

>  <SCORE.INTRA.norm>
-0.204532

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.188572

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000204

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  200.7246  227.8083  244.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1172  228.7552  244.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5955  228.7346  246.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6694  227.7322  246.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2501  226.7626  245.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7925  226.8152  244.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2733  225.9383  246.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1494  226.4399  247.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9955  227.5028  247.7336 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4838  224.8173  245.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5040  224.3664  246.3932 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9603  224.2818  244.6213 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0563  223.3966  244.6800 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3312  223.8902  244.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9844  224.2822  245.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6628  224.3210  247.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5675  224.8198  248.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8514  225.3179  247.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2311  225.2895  246.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2897  224.7378  245.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4702  224.6152  244.2138 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2980  224.0700  243.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0361  223.7756  242.5843 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2966  224.8630  249.5390 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.0942  228.0636  248.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8731  224.8469  243.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0350  222.6996  243.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-165.33402030,79.56021055,-76.13427971,80.28900118,200.20639415,225.51373444
245.91220181,-1.49334819,-0.08915050,1.01189766

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448494/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.76199

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-5.63801

>  <SCORE.INTRA.DIHEDRAL>
-2.34326

>  <SCORE.INTRA.DIHEDRAL.0>
4.30929

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.46638

>  <SCORE.INTRA.VDW.0>
-1.85093

>  <SCORE.INTRA.norm>
-0.234917

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.15675

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  196.8094  210.5270  247.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4309  210.1860  248.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2527  209.0391  249.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1135  207.7574  248.5902 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0464  207.2207  247.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1978  207.8254  247.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9974  207.1133  246.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6449  205.8155  245.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4917  205.2110  246.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6854  205.9153  247.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4251  205.5978  248.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6643  204.4859  247.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3231  204.2367  248.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6134  205.0928  249.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9441  202.9186  248.4510 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7818  202.3488  249.1288 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4624  200.9546  248.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3060  200.3479  247.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4660  200.9616  247.2617 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6970  202.1693  247.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0783  203.0498  247.0725 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.1831  198.9651  247.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1945  200.3921  249.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7921  199.2644  248.8914 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5174  201.2652  249.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2972  200.7770  250.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6410  201.8337  251.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0560  202.3525  250.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2609  203.1467  251.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4707  203.1460  252.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4831  202.3649  253.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2778  201.5704  252.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0642  201.5415  251.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8177  200.7912  250.3353 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9703  199.4110  250.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1388  206.8101  248.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3079  206.9234  249.8008 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 36  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  1  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-62.17550417,101.43917224,115.41029579,-175.67409343,-179.54219142,179.19583830
-130.63318005,194.65599137,203.71462107,248.95427942,0.59776541,0.70163008
0.40812141

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448495/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.8331

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335135

>  <SCORE.INTRA>
-6.5669

>  <SCORE.INTRA.DIHEDRAL>
-7.63792

>  <SCORE.INTRA.DIHEDRAL.0>
13.0803

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.74795

>  <SCORE.INTRA.VDW.0>
-0.122096

>  <SCORE.INTRA.norm>
-0.177484

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.157651

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  186.4086  218.1014  253.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1213  218.2342  252.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9545  218.5183  253.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6214  218.6270  252.5249 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.6274  217.6553  253.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1165  220.0830  252.4362 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.9535  220.7383  253.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8730  221.0698  254.2661 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1050  221.0259  254.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.2702  221.2128  251.3103 Br  0  0  0  0  0  0  0  0  0  0  0  0
  182.9507  221.4775  255.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
123.86786441,-58.32957156,-113.63637674,177.79229268,183.14892632,220.08652469
252.58428322,-0.80142980,0.51307848,-0.69402032

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448496/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.55292

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-5.84708

>  <SCORE.INTRA.DIHEDRAL>
-0.960637

>  <SCORE.INTRA.DIHEDRAL.0>
2.04623

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.36677

>  <SCORE.INTRA.VDW.0>
3.61117

>  <SCORE.INTRA.norm>
-0.584708

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.255292

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026823

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  196.1522  221.1123  261.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4552  220.3893  263.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6369  220.4795  264.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9280  219.7199  265.4204 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3042  219.2909  265.4477 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0629  219.0484  264.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1000  218.4043  264.4936 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6090  219.5851  263.1540 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4212  219.2593  261.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0171  217.9845  261.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0289  217.1344  261.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6724  220.4544  266.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7630  219.9434  267.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4800  220.6489  268.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1078  221.8778  269.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0305  222.3944  268.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3065  221.6823  266.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7799  222.6421  270.2905 N   0  3  0  0  0  0  0  0  0  0  0  0
  193.9377  222.1632  271.0634 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3633  223.7203  270.4669 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.3817  221.2870  264.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2033  222.2389  263.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4543  220.8239  264.9696 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2276  221.5643  264.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6587  218.8503  266.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  1  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  2  18   1  20  -1
M  END
>  <CHROM.1>
-26.13753240,120.80176432,-91.34926569,0.08936615,179.41608170,195.82466044
220.60588602,265.58341447,1.17769851,0.52828854,-1.79483685

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448497/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1218

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-0.278231

>  <SCORE.INTRA.DIHEDRAL>
-0.413745

>  <SCORE.INTRA.DIHEDRAL.0>
5.53285

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0713582

>  <SCORE.INTRA.VDW.0>
0.51188

>  <SCORE.INTRA.norm>
-0.011593

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.42174

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  203.4353  203.0859  254.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2017  203.5368  253.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7508  204.9589  252.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2595  204.9497  253.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0217  204.1255  252.6938 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7700  205.8920  254.0514 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0646  206.7548  254.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6076  207.4477  255.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7212  206.7824  254.6397 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9910  205.9350  253.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7611  205.9896  253.9079 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5038  205.3122  251.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7258  204.3754  250.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4719  204.6831  249.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0159  205.9478  248.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8357  206.9121  249.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0850  206.6019  251.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7370  206.2829  247.4529 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7649  205.8456  254.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1971  207.3973  255.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9107  205.5121  246.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
59.35239344,-43.20823012,0.15633352,203.84540889,205.53700326,252.36099562
-0.24085982,1.30100527,-2.89492199

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448506/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.31641

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.0835867

>  <SCORE.INTRA.DIHEDRAL>
-0.0210728

>  <SCORE.INTRA.DIHEDRAL.0>
0.778171

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0730503

>  <SCORE.INTRA.VDW.0>
0.119483

>  <SCORE.INTRA.norm>
-0.0046437

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.406467

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009671

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  216.3430  178.4925  246.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1084  178.8432  245.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4935  177.8565  244.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0319  176.7342  245.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1160  176.9674  246.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5732  175.6106  244.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4824  175.6938  243.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7579  176.9006  242.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3442  177.9656  243.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0124  174.2749  242.3155 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.4229  173.3204  243.2302 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2774  174.7754  241.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4524  173.5823  241.7494 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2131  174.1800  240.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4322  175.0005  241.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9961  174.7353  242.4215 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3241  173.7940  243.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3349  172.8427  242.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9310  175.6741  242.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3153  176.5967  242.1708 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4320  175.4685  244.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3845  176.2602  245.5107 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
16.13566597,-76.08209779,-87.58244617,217.11587875,175.62480302,243.51789864
1.18884514,0.02561123,0.85066073

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448508/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.8491

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.5509

>  <SCORE.INTRA.DIHEDRAL>
0.00395259

>  <SCORE.INTRA.DIHEDRAL.0>
2.91197

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.55288

>  <SCORE.INTRA.VDW.0>
-3.44302

>  <SCORE.INTRA.norm>
-0.0704956

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.311323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003849

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  181.0582  215.8095  259.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8289  216.4369  260.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7614  217.7567  260.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9229  218.4702  260.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1532  217.8707  260.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2136  216.5735  260.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4296  216.0771  259.7264 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.2798  218.5540  260.7587 F   0  0  0  0  0  0  0  0  0  0  0  0
  180.8607  219.7281  261.2162 F   0  0  0  0  0  0  0  0  0  0  0  0
  178.5688  218.3318  260.7216 F   0  0  0  0  0  0  0  0  0  0  0  0
  178.6727  215.7746  259.8936 F   0  0  0  0  0  0  0  0  0  0  0  0
  181.1225  214.4449  259.2619 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.2125  213.5604  259.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7606  213.5913  260.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8272  212.7756  261.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3504  211.8639  260.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8204  211.7851  259.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7870  212.6358  258.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3491  212.5673  257.4863 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.3145  210.8972  258.2702 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.3605  211.0651  260.7798 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.3468  212.8738  262.5549 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.2518  214.4193  261.8816 F   0  0  0  0  0  0  0  0  0  0  0  0
  180.1188  213.9574  258.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5401  214.7975  257.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5306  214.3128  256.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.0792  213.0436  256.5536 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.6611  212.2335  257.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6450  212.6368  258.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1089  211.7588  259.2605 F   0  0  0  0  0  0  0  0  0  0  0  0
  178.2461  210.9589  257.4938 F   0  0  0  0  0  0  0  0  0  0  0  0
  177.9481  215.1554  255.6673 F   0  0  0  0  0  0  0  0  0  0  0  0
  179.9410  216.0721  257.2213 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-145.21325529,36.22712392,34.60795958,181.26304826,214.51823098,259.36932403
-2.16690377,0.57101855,-2.74991486

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448509/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.29554

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.254545

>  <SCORE.INTRA>
-0.104462

>  <SCORE.INTRA.DIHEDRAL>
0.00223641

>  <SCORE.INTRA.DIHEDRAL.0>
13.1999

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.10558

>  <SCORE.INTRA.VDW.0>
-3.74558

>  <SCORE.INTRA.norm>
-0.00316551

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.25138

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.329881

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  208.6242  190.1665  245.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7601  191.1171  244.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8413  191.2258  243.5394 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3220  192.1140  242.5960 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4434  192.8908  243.1494 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.9841  191.9421  244.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5966  193.3412  242.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2833  194.5493  242.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2500  194.9956  241.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5403  194.2479  240.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8910  193.0402  240.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9290  192.5936  241.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6871  194.8297  239.2964 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.8603  194.0058  243.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6015  192.4080  241.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9913  193.2368  240.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3009  191.6776  241.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0489  190.4346  241.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7992  189.8123  241.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7943  190.3835  240.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0498  191.5638  240.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2906  192.2165  240.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4446  193.6983  239.4980 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.4794  194.5362  243.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
146.90461018,-67.70610951,-22.68731099,208.66635668,192.69311937,241.58238208
-2.90027409,-0.30657632,-1.09518770

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448510/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.70418

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-3.69582

>  <SCORE.INTRA.DIHEDRAL>
-7.60413

>  <SCORE.INTRA.DIHEDRAL.0>
10.4074

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.106243

>  <SCORE.INTRA.VDW.0>
-0.873178

>  <SCORE.INTRA.norm>
-0.160688

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.161051

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000795

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  187.3107  210.4706  259.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1652  209.7112  260.4735 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1033  210.6925  260.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9056  210.1627  261.7102 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.9819  211.3104  262.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6612  211.3145  261.6161 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.4881  210.9433  262.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4970  210.7293  263.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.3204  210.7034  261.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1504  210.2075  262.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.0965  209.7126  261.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.1738  209.8230  259.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.2988  210.4585  259.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3723  210.8717  260.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5417  211.3920  259.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6301  211.5761  260.3115 N   0  0  0  0  0  0  0  0  0  0  0  0
  178.4485  210.6158  257.9422 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.4833  210.8614  256.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.2354  209.2838  259.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
  175.4142  208.1951  259.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.0488  209.0455  261.8627 O   0  0  0  0  0  0  0  0  0  0  0  0
  175.7002  208.9759  263.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0868  209.3239  260.9742 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0544  208.5827  261.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9841  208.3257  262.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.9969  208.1173  260.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0990  208.3256  259.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1310  207.8062  258.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0312  207.0844  258.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8944  206.9440  260.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8864  207.4400  261.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.7812  206.3221  260.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.5852  205.9933  261.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.0737  206.4889  258.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.6232  206.8699  256.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2343  207.9903  256.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0870  208.8687  256.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7265  208.6002  259.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0812  207.3892  260.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7579  206.2631  259.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8242  206.7647  258.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4731  207.9370  257.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7825  209.0833  258.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 36  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 38 43  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <CHROM.1>
-168.61381197,151.28413076,169.68829818,110.17579094,172.03787514,109.97635578
13.83673944,-27.23389666,35.41648901,-19.64151519,5.59625687,-12.92183047
-29.63477468,172.90394193,180.60663407,208.98874851,260.02174244,0.03798741
0.05785779,1.00111056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448511/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.37753

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.451163

>  <SCORE.INTRA>
-10.0225

>  <SCORE.INTRA.DIHEDRAL>
4.17754

>  <SCORE.INTRA.DIHEDRAL.0>
12.2539

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0437976

>  <SCORE.INTRA.REPUL.0>
0.0437976

>  <SCORE.INTRA.VDW>
-11.8923

>  <SCORE.INTRA.VDW.0>
6.17113

>  <SCORE.INTRA.norm>
-0.233081

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.218082

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  188.7193  207.7004  254.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4670  207.1585  253.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6704  206.1285  252.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4109  205.5985  251.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8427  204.3102  251.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5186  204.1981  250.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5672  205.3986  249.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8073  206.6488  250.4805 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.1729  205.6926  248.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.89822088,115.59892845,189.78977358,206.01634677,251.41857320,-2.92676438
-1.23712516,3.01521620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448512/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87037

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-1.52963

>  <SCORE.INTRA.DIHEDRAL>
-2.65371

>  <SCORE.INTRA.DIHEDRAL.0>
2.69605

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.202769

>  <SCORE.INTRA.VDW.0>
-0.273717

>  <SCORE.INTRA.norm>
-0.169959

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.652264

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  4  3  0  0  0  0  0  0  0  0999 V2000
  211.5985  194.0621  250.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2037  193.3711  249.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6659  194.3839  248.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2712  193.6925  247.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99996183,212.43481984,193.87738873,249.18484209,3.09341673,-1.12322075
3.06273891

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448522/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-1.10892e-05

>  <SCORE.INTRA.DIHEDRAL>
-2.21015e-05

>  <SCORE.INTRA.DIHEDRAL.0>
2.21015e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.84102e-08

>  <SCORE.INTRA.VDW.0>
-0.101496

>  <SCORE.INTRA.norm>
-2.77229e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.6

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  214.1762  189.9468  244.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1263  189.7749  245.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7376  188.3002  245.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7203  190.2876  246.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6330  190.8000  245.2274 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.0684  190.1227  243.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9703  190.5700  243.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4593  189.9977  241.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0388  189.4528  242.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4438  191.0970  240.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3756  188.9453  241.4625 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1251  188.2298  240.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
62.06802928,179.10330313,120.10396691,179.82045258,211.20457901,189.86553634
243.57114878,-0.70274102,0.60104414,-2.23447830

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448524/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.35956

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.04044

>  <SCORE.INTRA.DIHEDRAL>
-2.41697

>  <SCORE.INTRA.DIHEDRAL.0>
2.42929

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.168046

>  <SCORE.INTRA.VDW.0>
4.86104

>  <SCORE.INTRA.norm>
-0.0867032

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.69663

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.158567

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  208.4522  199.9637  250.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7408  199.2248  250.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9335  200.1789  250.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8901  197.9887  250.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0163  197.0647  250.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7049  196.4115  249.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9188  195.6473  248.6139 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.5773  194.7707  247.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1561  196.5134  248.3318 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.9600  196.8365  249.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7811  198.0693  249.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7992  198.8594  248.4194 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.1307  197.8307  247.4490 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.8407  198.5696  246.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2058  199.9004  246.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0007  200.8766  247.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1661  200.2194  247.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3380  200.8112  248.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7307  202.1833  247.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9195  202.7423  248.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0860  202.0489  248.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2689  202.0093  247.9041 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.6734  203.4314  247.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4864  204.2202  246.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2566  204.1107  247.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5562  205.1846  248.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3786  201.3349  248.4901 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8574  197.4154  246.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1146  200.4160  248.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
169.98299658,-66.93026646,171.81847321,169.47613087,79.85510559,179.36101047
62.47113838,214.12777890,199.77101591,248.39663339,2.52468477,-0.26613369
-2.99744210

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448525/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.56177

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-1.83823

>  <SCORE.INTRA.DIHEDRAL>
1.55095

>  <SCORE.INTRA.DIHEDRAL.0>
2.07122

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.61371

>  <SCORE.INTRA.VDW.0>
0.587903

>  <SCORE.INTRA.norm>
-0.0656512

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.341492

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002463

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  209.4692  197.8857  247.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9158  198.9940  248.5408 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6936  199.5153  247.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9372  200.4281  248.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8338  201.4244  249.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2765  202.5413  250.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0665  203.4584  250.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4414  203.2149  251.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9782  202.0547  250.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2106  201.1926  249.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8844  200.0776  248.8475 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.6122  200.6513  247.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7043  201.4542  246.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3399  202.8285  247.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3033  203.6747  247.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9448  204.9214  248.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6234  205.3528  248.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6551  204.5383  247.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0083  203.2917  247.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7307  202.3560  246.4038 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.9712  203.2273  247.8456 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.2076  204.1176  251.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5142  204.4040  251.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3255  204.5045  251.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9021  205.8003  251.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-143.32058348,-141.50835490,69.03424897,74.50650760,44.64442332,209.03142178
202.51132900,248.79297786,-1.70100333,-0.11502601,0.55951514

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448526/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31386

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-4.08614

>  <SCORE.INTRA.DIHEDRAL>
4.40569

>  <SCORE.INTRA.DIHEDRAL.0>
1.02069

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.28899

>  <SCORE.INTRA.VDW.0>
3.17147

>  <SCORE.INTRA.norm>
-0.163446

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.252554

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000249

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  212.9421  196.1564  244.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3232  197.4496  244.1779 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2370  197.8322  244.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9493  197.3123  244.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8513  197.6999  245.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0064  198.6443  246.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2543  199.2257  246.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3623  198.8483  245.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6767  199.5072  246.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0059  199.9889  247.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4270  199.4761  245.0949 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7188  200.0826  245.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0158  198.2075  244.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-78.33847040,-151.63622690,179.35827498,211.76651936,198.54053812,245.56252659
-0.25827795,-0.25067354,-2.46044472

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448527/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.6674

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-3.7326

>  <SCORE.INTRA.DIHEDRAL>
-0.225075

>  <SCORE.INTRA.DIHEDRAL.0>
3.29674

>  <SCORE.INTRA.POLAR>
-0.693075

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.26361

>  <SCORE.INTRA.VDW.0>
2.35557

>  <SCORE.INTRA.norm>
-0.31105

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.38895

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  218.4771  180.9796  243.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8403  181.0306  243.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3605  182.1111  242.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5149  183.1344  242.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1475  183.0977  242.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6289  182.0106  242.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2318  184.1935  241.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7466  185.1993  241.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8577  186.3336  240.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3777  186.0922  241.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9406  185.0188  241.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8987  184.0929  242.0621 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5877  184.8416  241.9941 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6198  185.7418  241.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4087  185.6639  241.7335 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0982  186.8097  240.8142 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4058  187.0965  240.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7728  188.1177  240.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1261  183.7294  242.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0350  182.9587  242.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5289  181.9327  243.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1053  181.6792  244.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1968  182.4276  244.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7146  183.4435  244.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4600  180.4404  245.3909 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.3548  187.6432  241.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7164  187.7029  241.3811 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.9445  188.7970  240.8015 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.9817  187.6908  242.6648 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.0615  186.4252  239.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3855  186.3245  238.8124 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.4771  185.3753  238.4993 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.6244  187.5402  238.5400 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.0592  184.1599  241.3280 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.5453  183.2305  242.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4125  187.4907  240.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 30  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
-2.68421434,41.77745715,-43.65634127,-132.63310716,215.73770481,184.71073001
241.81325868,-2.30362101,0.14633471,-0.54672863

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448528/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.40144

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.276471

>  <SCORE.INTRA>
-13.8014

>  <SCORE.INTRA.DIHEDRAL>
-7.32918

>  <SCORE.INTRA.DIHEDRAL.0>
15.5388

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.1369

>  <SCORE.INTRA.VDW.0>
8.05028

>  <SCORE.INTRA.norm>
-0.405925

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
-0.129454

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  202.3579  222.2584  246.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9267  222.8551  245.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8962  222.1675  244.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8193  221.4099  245.4782 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.2580  221.3403  243.9691 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.5907  223.0604  244.0855 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.5755  224.5116  245.3357 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.6303  220.8357  247.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7736  220.3577  248.1616 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.5438  219.9953  246.1631 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.8768  220.6944  247.7377 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.2381  223.1054  247.8557 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <CHROM.1>
-168.05799033,-42.67932823,202.89093923,222.13714089,246.18093187,2.26851390
-0.86364263,2.65086722

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448529/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.29848

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.101524

>  <SCORE.INTRA.DIHEDRAL>
-0.00551538

>  <SCORE.INTRA.DIHEDRAL.0>
1.51131

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0987664

>  <SCORE.INTRA.VDW.0>
-1.26698

>  <SCORE.INTRA.norm>
-0.00846034

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.608206

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.287575

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  216.7971  177.9151  253.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3673  179.2054  253.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3886  180.3243  252.5471 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.4563  180.3763  252.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5283  181.7293  253.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3504  182.1371  253.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3754  180.0533  251.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4403  181.1686  250.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1209  181.5435  249.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4784  180.4163  249.0354 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4667  180.2383  247.5830 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.0526  179.6945  247.2428 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.7467  178.9790  248.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9794  178.0539  248.6944 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5064  179.6689  249.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1800  179.7040  250.8206 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0613  180.8332  247.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1177  180.9980  247.8196 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1529  181.7165  245.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2001  181.4748  244.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3216  182.2906  243.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4335  183.3227  243.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4042  183.5928  244.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2625  182.7806  245.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6642  184.0247  242.4556 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8414  183.4160  241.8620 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.3201  182.2419  242.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5059  182.9741  240.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5749  179.2822  247.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3011  179.5433  245.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2852  178.6524  245.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5553  177.4932  246.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8647  177.2263  247.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8870  178.1168  247.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7400  176.3827  245.6881 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 27  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
48.56034702,-64.10468654,-179.60510319,-56.20271614,-56.88458170,-105.62175330
-140.60668296,-114.11124973,-1.50888946,216.48456832,180.33175974,247.53073667
1.25103749,-0.75698828,1.67907913

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448530/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.5037

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.423529

>  <SCORE.INTRA>
-3.89632

>  <SCORE.INTRA.DIHEDRAL>
-1.80434

>  <SCORE.INTRA.DIHEDRAL.0>
5.53943

>  <SCORE.INTRA.POLAR>
-0.687799

>  <SCORE.INTRA.POLAR.0>
-0.811037

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.655637

>  <SCORE.INTRA.VDW.0>
-0.88612

>  <SCORE.INTRA.norm>
-0.114598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.308932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000238

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  185.5203  219.8095  254.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6430  218.3534  254.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9383  217.3922  255.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0515  216.0286  255.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8643  215.6339  253.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5408  216.5906  253.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4622  217.9389  253.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3019  216.1294  252.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3707  216.8861  251.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6136  217.1908  250.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6387  217.9619  249.9133 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5086  218.5177  250.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4378  218.2396  252.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3772  217.3443  252.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3361  217.0138  253.8677 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3662  218.8068  253.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3632  219.6521  252.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4135  219.9582  251.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4947  219.3767  250.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4097  220.7986  250.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9825  221.8009  251.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6984  222.0914  252.5633 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0125  222.5260  250.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6560  223.5386  251.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6567  224.4293  250.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0885  224.2893  249.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0631  225.1470  248.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6133  226.1366  249.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2129  226.2845  250.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2409  225.4278  251.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5482  226.9537  249.0704 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.3075  215.0004  255.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-155.24828636,-131.24309801,-28.98361248,-2.39203352,179.36544784,-1.63012748
191.38313837,220.14232797,251.96898439,2.90881547,-0.64983383,-2.37435039

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448531/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.93332

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35625

>  <SCORE.INTRA>
-1.46668

>  <SCORE.INTRA.DIHEDRAL>
-2.43509

>  <SCORE.INTRA.DIHEDRAL.0>
7.11174

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.24913

>  <SCORE.INTRA.VDW.0>
-0.217076

>  <SCORE.INTRA.norm>
-0.0458337

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.310416

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000275

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  198.0687  221.2760  253.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9173  221.3158  254.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1453  220.1290  255.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9516  218.8185  255.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4089  217.5523  255.6770 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9364  217.4233  255.6616 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.2001  218.5719  254.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9517  218.3175  254.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2322  219.3212  253.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7514  220.6231  253.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9814  220.8813  254.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7381  219.8742  254.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2293  221.7540  253.1002 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8466  222.0320  253.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0438  219.0936  253.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1271  218.1687  253.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4992  217.2017  257.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7817  216.1536  257.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1018  215.1484  256.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7682  215.8494  259.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4369  216.6954  259.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3749  216.4878  261.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6394  215.4257  261.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9804  214.5651  260.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0501  214.7705  259.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0929  220.4283  257.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2307  221.6197  257.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7558  217.3576  256.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
62.76399341,67.96587059,-122.98544411,36.33207001,43.86594445,3.72238810
194.99589855,218.56842453,256.12071761,-1.61381719,0.38897677,2.27695871

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448532/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.26831

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-2.06167

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
-0.153025

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.269197

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  207.8737  182.9992  240.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5374  183.2181  241.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1987  184.4094  242.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9814  184.7758  243.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9453  185.6120  244.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8390  186.0297  245.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7522  185.6404  246.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7917  184.8051  245.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8929  184.3881  244.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6545  186.1472  247.7042 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6127  185.9962  248.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5384  185.2478  248.3997 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6425  185.3402  249.4325 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0427  186.1902  250.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5732  186.8836  250.0549 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.0280  186.4781  251.7333 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.4055  185.9537  251.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8619  186.6176  249.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8898  187.4586  250.0805 N   0  0  0  0  0  0  0  0  0  0  0  0
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  199.2972  188.7655  249.0908 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0896  188.1562  247.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7807  189.0614  246.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5130  189.0270  245.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5240  188.0796  245.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8213  187.1732  246.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1197  187.2260  247.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3881  186.3410  248.6309 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3412  186.8575  247.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2659  185.8324  248.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 22  1  0  0  0  0
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 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
178.69866977,158.10947248,172.51271490,6.92710028,-21.40342167,-56.28099594
-107.24704009,204.68609191,186.29947388,247.39567280,0.76145563,0.39224099
-1.64546676

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448533/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.42693

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-3.97307

>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
12.0867

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.302438

>  <SCORE.INTRA.VDW.0>
-1.20562

>  <SCORE.INTRA.norm>
-0.141895

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.300962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  176.8727  212.4476  235.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4383  212.3560  233.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.8490  211.2883  232.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6958  210.2958  233.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1308  210.4009  234.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.7178  211.4712  235.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1460  209.1480  232.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.2497  207.9836  232.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.5651  207.0466  232.6552 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <CHROM.1>
-90.82477986,177.29423518,210.25348019,233.68163836,-1.59098357,1.01502972
-2.67044465

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448534/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38074

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.0192583

>  <SCORE.INTRA.DIHEDRAL>
-0.0379361

>  <SCORE.INTRA.DIHEDRAL.0>
0.738967

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000290253

>  <SCORE.INTRA.VDW.0>
-0.374588

>  <SCORE.INTRA.norm>
-0.00213981

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.708971

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024064

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 40  0  0  0  0  0  0  0  0999 V2000
  187.0253  211.0563  256.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1256  209.5371  256.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1115  208.8394  255.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3846  209.1716  257.6930 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.2415  209.7073  259.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3591  209.1563  259.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0834  208.0663  259.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8551  207.3474  258.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5628  207.7349  257.7220 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3164  207.6595  260.6495 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.8863  208.9336  261.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7907  209.6298  261.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2941  210.7338  261.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3481  211.3838  261.5555 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9728  210.9582  263.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1128  210.1982  263.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5510  209.1944  262.8378 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9733  210.5360  265.0869 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.4288  211.4597  264.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0867  212.6373  263.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9303  213.9091  264.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6646  215.0282  263.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2154  214.8327  262.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1262  213.5418  261.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3800  213.2951  260.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2707  212.0073  259.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4853  211.3962  259.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0587  211.3766  261.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7855  212.4589  262.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5110  212.1263  263.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4722  212.1369  265.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5076  213.3565  265.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3945  214.5615  265.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3255  214.5590  263.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4429  213.3504  263.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 29  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
66.89429431,144.97704095,-102.56891883,52.29431587,92.41619562,190.44091386
211.00090931,261.57027836,2.15128801,0.85878255,-2.61379616

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448535/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.98304

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297143

>  <SCORE.INTRA>
-8.41696

>  <SCORE.INTRA.DIHEDRAL>
-1.84452

>  <SCORE.INTRA.DIHEDRAL.0>
12.0551

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.4947

>  <SCORE.INTRA.VDW.0>
0.311214

>  <SCORE.INTRA.norm>
-0.240485

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.0566582

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000300

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  201.3411  200.5363  247.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5031  200.1509  248.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0269  201.3225  249.8537 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.9943  202.5123  250.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5933  201.9117  250.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3902  201.5874  252.1640 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9971  201.2552  252.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3143  200.4122  252.6203 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.2305  200.6428  252.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5326  200.2708  254.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9672  199.0778  252.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4444  203.5361  251.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6484  204.6900  251.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0286  205.6719  252.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2156  205.5333  253.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0061  204.3951  252.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6191  203.4063  251.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7693  203.3123  248.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8361  204.0263  248.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6336  204.8952  247.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3660  205.0370  246.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3195  204.2752  247.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5186  203.4115  248.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4529  200.7194  251.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5550  199.9278  251.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2671  199.6963  250.1722 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8165  199.4340  252.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3348  200.5431  253.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
71.64241120,50.14541909,69.73082515,84.64834045,174.31409675,-64.65345590
169.04695626,45.60193930,2.06365486,-72.13174074,201.36542743,202.16833844
250.71525421,-2.64227381,-1.28033566,1.23493136

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448536/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.64164

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57037

>  <SCORE.INTRA>
-6.75836

>  <SCORE.INTRA.DIHEDRAL>
-3.24353

>  <SCORE.INTRA.DIHEDRAL.0>
10.4446

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0365951

>  <SCORE.INTRA.VDW.0>
-0.612115

>  <SCORE.INTRA.norm>
-0.25031

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.320061

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015419

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  216.2610  192.1542  242.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5515  191.8544  242.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7776  190.6702  241.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7256  189.7843  241.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4400  190.0926  241.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1940  191.2764  242.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8025  191.6041  242.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5246  190.8859  244.5464 Br  0  0  0  0  0  0  0  0  0  0  0  0
  219.1258  190.3572  240.9096 N   0  3  0  0  0  0  0  0  0  0  0  0
  220.0286  191.1742  241.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2826  189.2949  240.2909 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
>  <CHROM.1>
-90.21161344,215.85911568,190.83206580,242.67838077,-0.37946079,0.43457744
0.59731562

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448537/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38214

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0178625

>  <SCORE.INTRA.DIHEDRAL>
-0.0430111

>  <SCORE.INTRA.DIHEDRAL.0>
0.741485

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00364307

>  <SCORE.INTRA.VDW.0>
-0.620196

>  <SCORE.INTRA.norm>
-0.00162386

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.580194

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000543

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  196.6940  203.0286  244.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6553  203.4264  243.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7799  201.5489  245.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8208  200.4124  243.7430 Br  0  0  0  0  0  0  0  0  0  0  0  0
  198.4299  201.3368  246.3711 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.1918  201.1564  246.4148 Br  0  0  0  0  0  0  0  0  0  0  0  0
  196.6546  203.9353  245.9597 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6878  203.5431  246.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
0.10443803,179.89663447,196.79032828,201.37665935,245.41604258,-1.57758741
-0.05701244,-1.96571759

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448540/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.68865

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-4.71135

>  <SCORE.INTRA.DIHEDRAL>
-0.000463107

>  <SCORE.INTRA.DIHEDRAL.0>
0.720565

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.71112

>  <SCORE.INTRA.VDW.0>
3.70458

>  <SCORE.INTRA.norm>
-0.67305

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.241236

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015252

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 39  0  0  0  0  0  0  0  0999 V2000
  197.6276  213.8591  263.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6418  214.8646  264.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5419  214.7968  263.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0507  216.0275  262.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9631  216.1185  261.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3311  214.9449  261.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7795  213.7129  261.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8835  213.6367  262.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1955  214.8639  260.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5457  213.7896  260.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3892  213.9486  259.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9024  215.0116  258.7768 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9596  212.7072  258.7027 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7918  212.5092  257.8967 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.0183  211.2039  257.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5353  210.1681  257.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5601  208.8292  257.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6429  207.6770  258.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6021  206.4028  257.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4972  206.2644  256.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4084  207.3988  255.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4164  208.6828  255.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2248  209.8807  254.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1889  211.2307  255.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2632  210.3819  259.0242 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5492  211.6215  259.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7819  212.1158  260.3935 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.5506  212.5504  258.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4633  213.4142  258.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4861  213.1232  259.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8493  212.0407  260.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3520  211.3828  260.0544 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.4568  217.3346  261.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0433  217.8832  260.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  1  0  0  0
 15 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
-142.17184154,90.28632843,-179.71535496,119.44530017,190.86718864,212.39481605
259.54483427,-0.84681300,0.31377550,-2.68939014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448546/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.5717

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.276471

>  <SCORE.INTRA>
-3.8283

>  <SCORE.INTRA.DIHEDRAL>
-2.3748

>  <SCORE.INTRA.DIHEDRAL.0>
9.27968

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.6409

>  <SCORE.INTRA.VDW.0>
1.95611

>  <SCORE.INTRA.norm>
-0.112597

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.163873

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  198.4920  201.4525  243.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5928  202.2698  244.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8550  203.1264  245.2687 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1366  203.0992  245.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1523  202.3453  245.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8767  201.4610  244.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7444  200.7749  243.6389 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4244  202.3720  245.8952 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8889  204.1952  245.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0318  203.8794  246.8764 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2305  202.5985  246.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0455  202.5636  246.2815 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9767  201.4712  246.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8202  203.7001  248.1216 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9845  201.7563  245.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4758  200.6576  246.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3672  202.8400  248.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2439  203.6236  248.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 15  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <CHROM.1>
103.30122298,-179.33201986,-60.39943026,-102.75359239,-68.82537079,-179.47851168
197.86569037,202.49549423,245.63276600,0.46177251,-0.05617977,-2.20555791

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448547/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.29334

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-2.10666

>  <SCORE.INTRA.DIHEDRAL>
0.24115

>  <SCORE.INTRA.DIHEDRAL.0>
2.71831

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.18977

>  <SCORE.INTRA.VDW.0>
0.213894

>  <SCORE.INTRA.norm>
-0.150476

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.520953

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013448

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  201.2784  214.6706  253.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8310  213.5205  252.2462 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0582  212.8534  252.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7180  211.9173  251.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8607  212.0493  251.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9320  210.8744  251.5164 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8300  212.5284  252.0102 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3792  210.2666  250.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2443  211.7810  251.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-168.82081305,-175.56563262,118.64412063,-179.16961722,202.62453805,212.57817289
252.11736105,-2.40457497,-0.02023670,-2.71723036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448548/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.778878

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-6.62112

>  <SCORE.INTRA.DIHEDRAL>
-4.29182

>  <SCORE.INTRA.DIHEDRAL.0>
6.12381

>  <SCORE.INTRA.POLAR>
-0.738036

>  <SCORE.INTRA.POLAR.0>
-0.0183353

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.96589

>  <SCORE.INTRA.VDW.0>
1.90287

>  <SCORE.INTRA.norm>
-0.945875

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.111268

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007269

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  210.4873  196.8598  244.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5734  195.8961  244.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7992  194.5472  244.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9506  194.1388  245.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8461  195.1294  245.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6197  196.4789  245.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2018  192.6626  245.5164 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3231  192.0555  244.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0029  192.1616  243.1955 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5679  192.4426  246.8846 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7806  191.7622  242.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.9746  193.1482  242.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7896  192.7571  247.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  6  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
106.38469378,-60.22922810,61.03992747,179.02223227,211.17855499,194.13092110
245.01818883,2.78760188,-1.22628241,1.16927803

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448549/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.05764

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-2.34236

>  <SCORE.INTRA.DIHEDRAL>
-3.24957

>  <SCORE.INTRA.DIHEDRAL.0>
4.08834

>  <SCORE.INTRA.POLAR>
0.332891

>  <SCORE.INTRA.POLAR.0>
-0.332891

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.84941

>  <SCORE.INTRA.VDW.0>
0.6411

>  <SCORE.INTRA.norm>
-0.234236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.605764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031267

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 64 66  0  0  0  0  0  0  0  0999 V2000
  194.5303  211.7189  255.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2965  211.4574  257.1378 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7997  211.5577  256.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4225  210.6154  256.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3520  212.8103  256.9183 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7333  213.1276  256.5184 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9428  214.6574  256.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0170  215.3748  255.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0180  214.8193  254.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7248  215.2251  253.1521 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1590  213.7530  253.9373 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9632  212.9620  252.7139 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9368  211.4627  253.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6538  210.5587  251.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6146  209.0919  252.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4808  208.2993  251.8795 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5620  208.7385  252.9778 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6342  213.4776  252.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5673  212.8938  252.2952 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7092  214.6330  251.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6565  212.4407  257.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2430  213.0377  258.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7878  211.1027  257.3739 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8809  212.3645  258.1577 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6999  212.1512  259.6666 P   0  0  1  0  0  0  0  0  0  0  0  0
  196.5471  213.3964  259.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3706  212.6626  260.4479 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5189  211.9379  261.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6769  213.1438  261.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3971  213.0059  263.2621 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7904  212.3206  263.1928 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6015  212.4382  264.5305 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.6684  211.3282  264.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3674  210.9787  265.9140 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7050  209.5833  266.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5553  208.6374  265.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7807  207.1927  265.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5170  206.3593  264.4983 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3166  206.7859  266.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5426  207.7105  267.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2124  209.1073  267.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3379  209.9793  268.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9346  211.3585  268.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5062  211.8469  267.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2193  213.1891  267.0104 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1366  214.0206  268.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8574  215.2106  267.9637 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4204  213.4798  269.2840 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9437  212.2384  269.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3884  211.8675  270.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2250  213.7300  264.6125 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7311  210.9636  262.7688 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4851  214.3206  263.8178 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8631  213.4890  257.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5162  213.5366  254.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9071  209.4422  253.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5977  215.0156  251.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2467  210.7104  256.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8616  211.8884  260.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.0528  213.6423  266.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3908  214.0836  270.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5383  214.4164  264.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.1969  210.8654  261.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6481  214.2525  264.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 54  1  0  0  0  0
  6  7  1  1  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 55  1  0  0  0  0
 12 13  1  1  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 58  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  6  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 30 29  1  6  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  1  0  0  0
 32 33  1  6  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
 34 44  1  0  0  0  0
 34 35  1  0  0  0  0
 35 41  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 49  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 60  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 61  1  0  0  0  0
 49 50  2  0  0  0  0
 51 62  1  0  0  0  0
 52 63  1  0  0  0  0
 53 64  1  0  0  0  0
M  END
>  <CHROM.1>
-82.76088282,-179.71928643,166.57952060,-59.78363129,-104.40849350,-52.47246653
-93.14142261,135.67975458,176.54456530,-98.93594639,-179.33438485,-109.06930990
5.55763882,3.45576850,-3.37385286,104.41011979,97.53779852,-45.30093255,179.72943426
54.46273910,169.22100569,160.96761968,157.71795358,49.91656373,-164.84140455
57.05839166,146.38009458,198.58730212,211.89157168,260.37965037,2.51114280
1.13939738,-2.37924935

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448550/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.479245

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
-0.636352

>  <SCORE.INTRA.POLAR.0>
-1.86635

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.61682

>  <SCORE.INTRA.VDW.0>
-2.28055

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026147

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  188.0419  214.9915  255.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0502  213.9621  256.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7664  214.0129  255.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7411  213.1681  256.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9907  212.2581  257.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2586  212.1890  257.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3066  213.0132  257.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5450  212.8655  257.9962 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2298  213.9039  258.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3707  214.2658  258.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4674  214.4888  259.5944 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9469  215.6721  260.3366 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2801  215.3666  261.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8157  216.5612  261.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1065  214.1842  262.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0924  216.8786  259.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3017  217.8158  259.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2358  216.8424  258.6000 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6813  217.8330  257.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0964  219.0014  257.6514 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7342  219.8218  256.7306 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7910  219.2391  256.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0195  217.6234  256.7337 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.6831  219.8151  255.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4546  221.1102  254.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2584  221.6455  253.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3220  220.9118  253.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5708  219.6299  253.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7620  219.0904  254.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0206  221.5247  252.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4378  221.4996  252.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1470  212.1490  257.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.5073  214.1976  259.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7234  215.9617  258.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  6  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
51.24860247,-121.99898952,-59.86158146,-179.21871553,108.42760729,4.26908031
0.60941239,132.08550360,190.31098448,216.84559165,257.06272553,2.56540424
0.74033387,1.74463114

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448551/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.44359

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-6.95641

>  <SCORE.INTRA.DIHEDRAL>
-3.53731

>  <SCORE.INTRA.DIHEDRAL.0>
9.68972

>  <SCORE.INTRA.POLAR>
-0.623935

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.06638

>  <SCORE.INTRA.VDW.0>
0.0294345

>  <SCORE.INTRA.norm>
-0.2244

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.207858

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000146

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  203.1965  207.1865  251.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4703  206.1102  250.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4347  206.4830  249.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6983  205.5353  248.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0312  204.2692  248.9371 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0363  203.8875  250.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3205  202.5579  250.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3192  202.0387  251.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0513  202.8792  252.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7810  204.2279  252.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7596  204.7614  251.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5937  205.9788  246.9170 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.2860  204.3413  246.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5364  203.4888  246.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5106  203.7133  245.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4538  202.4371  246.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5954  201.5768  246.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8546  202.2938  247.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9906  201.8903  247.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6072  203.4232  248.1731 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6711  204.3382  248.5711 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.0975  204.1358  250.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0758  204.7256  251.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9354  206.2303  250.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7982  206.6166  249.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3121  207.8934  249.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2101  208.3050  247.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6115  207.4554  246.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1047  206.1879  246.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2045  205.7552  248.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6544  203.7005  248.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 31  1  0  0  0  0
 21 20  1  1  0  0  0
 21 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-156.04446274,-79.03371961,-65.14844186,-177.04876175,64.02716147,-159.50863752
-101.58745661,205.29174324,204.70391569,248.82424960,-3.08020537,-1.24018951
3.01672350

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448552/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0178682

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-12.4179

>  <SCORE.INTRA.DIHEDRAL>
-2.98882

>  <SCORE.INTRA.DIHEDRAL.0>
9.67771

>  <SCORE.INTRA.POLAR>
-1.00176

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.51748

>  <SCORE.INTRA.VDW.0>
-1.88816

>  <SCORE.INTRA.norm>
-0.413929

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.000595606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000086

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  195.8301  212.8428  262.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8571  213.3568  263.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2637  214.3582  264.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9856  214.1222  265.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0498  215.5678  263.6393 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2970  213.9301  261.2681 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4076  214.4897  260.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6766  214.0781  259.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0549  215.5452  260.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2215  213.3776  260.4245 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6605  216.2330  264.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7218  215.7844  261.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8690  214.1134  259.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4256  213.0907  260.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  1  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <CHROM.1>
64.35824380,64.55950867,105.13859540,179.61912454,92.91147377,179.26853753
0.38811686,196.05131236,214.21450445,262.08900612,1.49997927,0.86323414,1.57249173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448553/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.12626

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-5.27374

>  <SCORE.INTRA.DIHEDRAL>
-0.413175

>  <SCORE.INTRA.DIHEDRAL.0>
3.4253

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.66715

>  <SCORE.INTRA.VDW.0>
0.603728

>  <SCORE.INTRA.norm>
-0.527374

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.512626

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011085

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  216.6182  195.9360  248.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2533  197.0436  247.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0183  196.7375  246.8001 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3261  196.2850  245.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9985  197.1504  244.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4824  196.9036  247.5377 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.4308  195.9608  248.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2479  198.3049  247.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1053  196.3630  246.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8809  197.0122  246.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8550  196.4991  245.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0426  195.3529  244.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2666  194.6650  244.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2850  195.2006  245.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2887  193.3670  243.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2165  192.9302  243.3112 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5012  191.7489  242.6441 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7605  191.4686  242.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3142  192.4626  243.6575 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7473  192.5344  243.9406 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3492  193.6803  243.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0116  192.5018  245.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2975  192.7266  245.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4988  192.9364  247.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4261  192.8670  248.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1629  192.5050  247.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9611  192.2914  246.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5632  189.9500  242.5512 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.6794  188.6051  243.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3795  188.7796  244.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2441  188.7491  245.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5520  188.9848  245.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3121  189.0650  247.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3631  189.2852  248.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6657  189.4211  247.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9287  189.3201  246.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8770  189.1000  245.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9543  189.7201  248.7087 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-102.60896870,-110.92616443,-62.40061745,-144.06674548,3.29702387,-54.01675277
-67.58284351,-171.97859736,-51.76193104,121.99521643,-176.04591434,213.22968734
192.98072267,245.86269185,-1.35078956,0.80890772,-3.04831722

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448563/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.37813

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.431579

>  <SCORE.INTRA>
-11.0219

>  <SCORE.INTRA.DIHEDRAL>
-6.78357

>  <SCORE.INTRA.DIHEDRAL.0>
21.9761

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.63009

>  <SCORE.INTRA.VDW.0>
-4.49858

>  <SCORE.INTRA.norm>
-0.290049

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.14153

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  193.2841  216.9373  259.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6293  215.9449  258.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9242  214.6293  258.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8681  214.3429  260.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5133  215.3376  261.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2268  216.6268  260.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8159  217.8441  261.7844 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.2753  212.8016  260.8350 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.2948  213.6481  257.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6067  212.3851  258.0854 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8611  211.7746  256.9180 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7504  212.5880  255.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4231  213.8242  256.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9662  212.0836  254.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2476  210.9026  254.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8216  213.0230  253.4808 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9942  212.6441  252.1837 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8317  213.5597  251.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9947  213.2445  249.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8115  214.2460  248.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9765  213.9019  247.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3001  212.6600  247.1524 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4683  211.7117  248.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3293  211.9504  249.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1067  210.7881  256.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5668  213.9782  253.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
178.95728749,0.48580838,179.24226239,179.85182148,194.37065705,213.84479836
255.82236728,2.10122654,-1.29532119,1.84112853

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448564/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.82991

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-1.57009

>  <SCORE.INTRA.DIHEDRAL>
-4.11957

>  <SCORE.INTRA.DIHEDRAL.0>
4.12654

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.489696

>  <SCORE.INTRA.VDW.0>
-1.01379

>  <SCORE.INTRA.norm>
-0.0654205

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.326246

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  192.7741  210.4750  249.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9690  209.5269  249.4641 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.1432  208.8694  250.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2139  208.8780  251.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0005  208.2654  251.3254 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0000  207.5398  252.5668 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2408  208.2953  253.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3929  206.2556  252.3253 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5814  205.6028  251.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1659  206.0483  250.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8228  208.5139  248.4328 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1122  208.7943  247.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5265  209.8837  246.7645 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8743  207.7208  246.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1288  207.8357  244.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6189  208.0897  244.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7562  206.4754  244.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2365  208.9008  244.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1811  208.2087  250.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.0736  205.7095  253.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.5627  207.5664  248.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <CHROM.1>
-128.06324530,80.00991166,108.63814098,35.50735825,-179.95217695,63.17682727
193.63872660,208.10315531,248.83245360,-2.17929702,-1.27042863,-2.08267766

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448565/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.97607

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-2.42393

>  <SCORE.INTRA.DIHEDRAL>
0.0130032

>  <SCORE.INTRA.DIHEDRAL.0>
4.23423

>  <SCORE.INTRA.POLAR>
-0.999281

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.1422

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.256121

>  <SCORE.INTRA.VDW.0>
0.334708

>  <SCORE.INTRA.norm>
-0.134663

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.49867

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005255

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  204.0590  194.3975  250.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1925  192.9782  250.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3446  192.9816  248.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4700  191.5675  248.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6132  191.5680  246.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4765  191.6000  245.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6074  191.5867  244.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8757  191.5353  243.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0189  191.5157  244.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8820  191.5241  246.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9415  191.5749  242.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8736  191.6129  241.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2028  191.5035  241.8547 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4870  191.5024  240.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8049  191.3238  240.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0975  191.2942  238.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0765  191.4527  237.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7704  191.6507  238.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4840  191.6800  239.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3489  191.4054  236.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4098  191.0296  241.3359 I   0  0  0  0  0  0  0  0  0  0  0  0
  206.9829  191.2797  242.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-179.50556468,179.69302025,-85.63128588,-1.96398806,-175.17052106,206.69542389
191.57780769,242.73802760,-1.98584571,0.12526191,-1.66871713

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448566/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.70667

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-1.69333

>  <SCORE.INTRA.DIHEDRAL>
-4.40025

>  <SCORE.INTRA.DIHEDRAL.0>
5.24309

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.506799

>  <SCORE.INTRA.VDW.0>
-0.463374

>  <SCORE.INTRA.norm>
-0.0806346

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.414603

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  225.4938  187.9396  247.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6132  186.4512  248.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8547  185.7974  248.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9250  184.4069  248.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7577  183.6499  248.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5226  184.2944  248.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4458  185.6809  248.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3666  183.4913  248.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2826  183.9320  249.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2063  184.9521  249.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1723  182.9769  248.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0053  183.2172  249.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8725  182.3811  249.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6046  182.5122  249.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7991  181.4566  249.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6085  180.7243  248.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8498  181.2672  248.4697 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.3362  186.6707  247.9144 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
141.65165793,0.07315520,-179.04544107,-179.40967452,223.04986535,184.21154361
248.59886127,0.43899412,0.18438775,0.12210313

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448567/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.57514

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.824859

>  <SCORE.INTRA.DIHEDRAL>
-2.11305

>  <SCORE.INTRA.DIHEDRAL.0>
4.27059

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.231667

>  <SCORE.INTRA.VDW.0>
-0.46525

>  <SCORE.INTRA.norm>
-0.0458255

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.476397

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000512

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  194.0070  217.1511  255.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3672  217.6389  255.3779 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.9212  216.9204  254.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0690  216.9698  252.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8311  218.3259  252.0473 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2904  219.4979  252.9322 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.8300  219.7452  252.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0057  220.1103  253.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7042  220.8475  254.5351 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.1487  220.3483  254.9555 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4768  219.1578  255.1884 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7074  219.7346  256.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0775  221.1463  255.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7478  221.7287  255.1353 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.9996  220.9409  253.8220 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.7574  221.9833  252.8870 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3829  223.1935  255.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6915  222.2144  254.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8405  219.3547  254.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2680  218.2821  254.8566 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7124  218.6700  250.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0584  219.6450  249.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0917  219.1957  251.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5283  222.0541  252.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1621  222.2110  253.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.7812  217.7005  254.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  1  0  0  0
  6 15  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
156.25721212,74.67344811,-59.57224889,-90.40080097,-60.79324013,194.50406688
219.71176387,253.79896122,1.18929371,-0.26989444,-2.55262893

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448568/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.69111

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-4.70889

>  <SCORE.INTRA.DIHEDRAL>
-1.63645

>  <SCORE.INTRA.DIHEDRAL.0>
8.51191

>  <SCORE.INTRA.POLAR>
-0.0387885

>  <SCORE.INTRA.POLAR.0>
-0.489351

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.75879

>  <SCORE.INTRA.VDW.0>
2.0753

>  <SCORE.INTRA.norm>
-0.204734

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.117005

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000274

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  213.3952  203.3860  251.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6165  202.1257  250.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1130  202.0377  249.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2596  200.8619  248.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0004  199.7813  249.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4885  199.8672  250.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2934  201.0255  251.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1619  198.5783  248.6642 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2206  198.5200  247.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2569  197.3265  246.7101 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9415  197.3662  245.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7216  196.3915  244.6572 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7649  198.7717  244.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2542  199.8347  246.2254 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.4492  196.0526  247.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6992  195.9630  248.6294 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3508  195.6567  249.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7851  195.5275  250.9527 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3990  195.7243  251.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7565  195.5870  252.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3813  195.8130  252.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6338  196.1747  251.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2601  196.3000  250.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6381  196.0734  249.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3346  196.2049  248.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6973  196.5254  247.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
32.80369871,41.20284976,-125.22260716,213.17914153,198.06657441,248.88956543
0.34782154,1.14066242,0.71380291

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448569/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71686

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-0.683137

>  <SCORE.INTRA.DIHEDRAL>
-1.12822

>  <SCORE.INTRA.DIHEDRAL.0>
7.1538

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.119026

>  <SCORE.INTRA.VDW.0>
-2.19043

>  <SCORE.INTRA.norm>
-0.0262745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.296802

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  206.5244  205.8686  244.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2398  205.6511  246.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2751  204.4806  246.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0341  204.7156  245.5621 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3222  204.7199  243.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4154  203.7636  243.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1938  203.7941  243.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1039  202.8307  242.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3192  204.0627  245.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.1820  204.5095  244.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5373  202.2045  242.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <CHROM.1>
-67.70630487,99.17762812,-57.42601816,-165.76928442,-8.16363674,-179.88285959
205.97712204,204.42814680,244.41153464,-2.00229929,-0.37151077,-2.25540192

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448570/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.7617

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.3

>  <SCORE.INTRA>
-1.6383

>  <SCORE.INTRA.DIHEDRAL>
4.67992

>  <SCORE.INTRA.DIHEDRAL.0>
1.10519

>  <SCORE.INTRA.POLAR>
-0.999413

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.580251

>  <SCORE.INTRA.VDW.0>
0.859619

>  <SCORE.INTRA.norm>
-0.204787

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.09521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024104

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  191.9363  222.4725  256.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0873  221.8683  257.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9918  220.7167  258.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7438  220.1527  258.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5961  220.7788  257.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6917  221.9237  257.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6489  218.9682  259.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7470  218.3226  259.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5804  217.2135  260.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4416  216.7373  260.8815 O   0  3  0  0  0  0  0  0  0  0  0  0
  190.3946  217.2668  260.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4414  218.4046  259.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1240  216.6134  260.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8760  217.0998  260.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6785  216.4863  260.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7001  215.3698  261.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9164  214.8646  261.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1167  215.4763  261.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7228  216.5168  261.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5158  215.4034  262.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5930  214.7284  262.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8974  215.1575  262.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1298  216.2608  261.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0552  216.9333  261.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
-1.25235038,179.94048063,179.64868621,191.52511346,217.72838474,260.17259212
-1.51535762,0.06517022,2.50835831

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448571/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.44566

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.954345

>  <SCORE.INTRA.DIHEDRAL>
-3.98424

>  <SCORE.INTRA.DIHEDRAL.0>
3.9854

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.03778

>  <SCORE.INTRA.VDW.0>
-0.545045

>  <SCORE.INTRA.norm>
-0.0397644

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.310236

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017547

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  228.2447  183.9760  247.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8866  183.3957  246.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8797  182.2620  246.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3153  184.4701  245.1892 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.1262  185.4481  244.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7506  185.1513  243.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6267  186.0526  242.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.9297  187.2571  243.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3582  187.5534  244.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4685  186.6537  245.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4976  184.8995  245.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
76.84670477,82.99601265,228.41140228,185.14969135,244.93969172,-2.87339989
-1.13976427,-1.91928192

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448572/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.37725

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-2.02275

>  <SCORE.INTRA.DIHEDRAL>
-1.45432

>  <SCORE.INTRA.DIHEDRAL.0>
2.23725

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.29559

>  <SCORE.INTRA.VDW.0>
1.01798

>  <SCORE.INTRA.norm>
-0.202275

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.537725

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000270

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 47  0  0  0  0  0  0  0  0999 V2000
  200.8785  218.0728  255.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9177  218.9755  254.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9782  218.6130  252.9950 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1808  219.3411  252.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4700  220.2778  252.5029 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3782  218.9056  250.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6961  219.6026  249.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8252  219.2098  248.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6322  218.1184  248.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3715  217.4701  249.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2377  217.8545  250.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5941  217.5864  246.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8850  217.9350  245.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1352  216.9196  244.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0485  216.0313  245.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2998  216.4522  246.5194 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6182  214.8297  244.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2634  213.8914  245.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5016  213.7708  246.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9453  214.4574  247.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4722  212.7769  247.1686 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8857  212.0533  246.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7221  210.9904  245.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3041  210.3635  247.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7870  209.8434  248.2724 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2343  210.4776  244.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2590  211.2580  243.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6583  209.1586  244.6051 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0465  208.4766  243.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3744  207.1193  243.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6599  206.3908  242.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6406  207.0009  241.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3604  208.3576  240.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0779  209.0861  242.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0155  204.7087  242.4328 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.0104  212.5844  244.6221 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.0062  212.7188  248.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3876  212.8440  248.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8685  212.8300  250.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9856  212.7028  251.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6163  212.5904  250.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1278  212.6100  249.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6158  208.5875  245.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  3  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <CHROM.1>
-179.37588151,2.42630979,-176.15179358,-0.04124227,-163.92093495,-122.48628717
23.63119655,-176.08968674,202.26452896,213.38979833,247.06909211,-2.31513389
0.96747157,-1.86856416

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448573/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.61976

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.319048

>  <SCORE.INTRA>
-5.78024

>  <SCORE.INTRA.DIHEDRAL>
-14.8583

>  <SCORE.INTRA.DIHEDRAL.0>
25.9699

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.64892

>  <SCORE.INTRA.VDW.0>
-1.74235

>  <SCORE.INTRA.norm>
-0.137625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.181423

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 33  0  0  0  0  0  0  0  0999 V2000
  202.5328  215.0505  247.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0040  215.8399  249.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5329  217.2782  248.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4630  215.8594  249.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7678  214.5109  249.3442 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2109  213.8983  250.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4822  213.8241  251.6683 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4673  213.3729  250.6079 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9859  212.8121  251.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1490  213.8779  252.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5003  213.7527  254.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5874  214.7711  255.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3263  215.9203  254.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9896  216.0490  253.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9014  215.0321  252.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3155  214.7187  249.2944 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4878  213.7351  248.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2080  213.6674  247.5844 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0194  212.7252  249.8474 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0741  211.6466  250.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7456  210.7408  251.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8246  209.6904  251.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5087  208.8877  252.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1098  209.1396  253.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0324  210.1665  253.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3506  210.9643  252.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8135  208.3967  254.6257 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6732  213.4981  251.0725 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8838  215.2567  250.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1559  207.7266  254.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5450  213.8315  251.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2760  212.8583  251.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
>  <CHROM.1>
65.46384257,60.16916988,109.02895319,144.94444403,178.27472066,-64.13946134
122.57995546,-88.39252964,-80.95961128,172.36987249,-72.02937750,77.83827786
-0.12194638,199.62167975,213.22174552,251.30886581,0.59051823,-0.69004954
-1.06124441

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448574/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.68968

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.621429

>  <SCORE.INTRA>
-9.71032

>  <SCORE.INTRA.DIHEDRAL>
-7.04822

>  <SCORE.INTRA.DIHEDRAL.0>
12.8367

>  <SCORE.INTRA.POLAR>
-0.972226

>  <SCORE.INTRA.POLAR.0>
-0.0277561

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.88064

>  <SCORE.INTRA.VDW.0>
-2.00312

>  <SCORE.INTRA.norm>
-0.346797

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.274632

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.056880

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  224.3829  185.9209  234.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1016  186.9632  235.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9730  188.3725  235.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7613  189.1806  236.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6177  188.5804  237.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7211  187.2080  237.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9712  186.4135  236.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8049  190.6915  236.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1175  189.0510  234.7011 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.8938  188.7104  234.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2204  187.7036  234.3166 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3083  189.7793  233.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6368  190.7826  233.9835 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4230  191.6663  234.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6467  191.6211  234.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6343  192.6706  235.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4151  193.5250  236.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7970  194.5016  236.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4555  194.6500  236.9364 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.6920  193.8297  236.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3164  194.0176  236.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4273  193.2457  235.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9224  192.2669  234.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2988  192.0593  234.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2193  192.8154  235.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5192  195.4681  237.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9158  195.4215  237.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5981  196.2913  238.6246 N   0  3  0  0  0  0  0  0  0  0  0  0
  225.6165  196.2196  238.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.9936  197.2473  239.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6125  197.3614  239.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8777  196.4707  238.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4380  189.9710  234.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 25  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 32  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  CHG  1  28   1
M  END
>  <CHROM.1>
30.77665196,-82.25655710,76.07349099,-3.94109199,173.49817419,-0.54349672
222.71863381,191.70788859,236.09922190,1.11014459,0.43477451,-2.70099774

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448575/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.582

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-4.818

>  <SCORE.INTRA.DIHEDRAL>
-1.47535

>  <SCORE.INTRA.DIHEDRAL.0>
7.24818

>  <SCORE.INTRA.POLAR>
-0.424103

>  <SCORE.INTRA.POLAR.0>
-0.133054

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.63838

>  <SCORE.INTRA.VDW.0>
3.18343

>  <SCORE.INTRA.norm>
-0.155419

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.212323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000452

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  195.8555  224.0830  256.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1297  224.3510  255.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2925  225.3727  254.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4487  224.8563  255.5245 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5592  225.7347  255.4651 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.3061  225.6258  254.4929 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6154  226.4888  256.4328 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.5318  223.0242  254.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7837  223.2575  252.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1636  222.0776  252.2241 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.2578  221.3952  251.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3796  221.9082  252.2101 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.8551  224.9323  254.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7777  224.0077  254.4564 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5728  224.4504  253.8634 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.4115  224.1831  252.6721 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8553  225.0595  254.6468 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.5358  225.3155  257.1620 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2795  225.1839  258.5454 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.1235  224.9222  258.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2858  225.3479  259.2299 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  8   5   1   7  -1  10   1  12  -1  15   1  17  -1  19   1  21  -1
M  END
>  <CHROM.1>
58.26798946,-179.49355290,57.77290355,179.93503471,-59.53382725,-179.12508398
-88.70266573,179.70572095,88.70023011,-179.84855335,87.93109327,-87.58531495
196.14426978,224.36112924,255.02372167,1.08540120,0.05636005,1.09773636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448576/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.45238

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.828571

>  <SCORE.INTRA>
-18.8524

>  <SCORE.INTRA.DIHEDRAL>
-16.0365

>  <SCORE.INTRA.DIHEDRAL.0>
16.0863

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.202895

>  <SCORE.INTRA.REPUL.0>
0.202895

>  <SCORE.INTRA.VDW>
-9.81966

>  <SCORE.INTRA.VDW.0>
8.86342

>  <SCORE.INTRA.norm>
-0.897732

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
-0.0691608

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011329

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  209.4196  179.0853  243.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0156  180.0530  242.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8583  180.4159  241.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1186  179.8033  241.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5119  178.8200  242.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6635  178.4809  243.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7564  178.1874  242.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6192  178.4974  241.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2466  179.4448  240.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0124  180.1149  240.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7235  181.1596  239.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4981  182.5822  239.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6724  183.1761  240.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9583  182.4288  241.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9994  181.8415  241.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9340  182.4805  242.5892 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1009  181.9927  243.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
59.39512448,59.74398317,-64.95986624,117.68501671,179.33408174,211.78618121
180.49586203,241.44162645,2.15325583,-0.45926489,2.88788420

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448577/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.62152

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-2.77848

>  <SCORE.INTRA.DIHEDRAL>
-0.960621

>  <SCORE.INTRA.DIHEDRAL.0>
2.88419

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.29817

>  <SCORE.INTRA.VDW.0>
-0.59776

>  <SCORE.INTRA.norm>
-0.173655

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.413845

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043569

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  204.3180  213.7569  253.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8987  213.6672  252.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9220  213.5877  251.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5166  213.4904  250.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5987  213.4333  249.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4246  212.4123  248.6215 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0068  214.6188  248.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1715  214.6168  247.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6401  215.9373  246.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8385  216.2830  247.2757 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.2949  213.8394  254.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7085  213.9294  255.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6679  214.0092  257.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9395  214.0879  257.5198 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
179.87843498,179.98527740,179.76707927,179.24079860,105.01505397,177.09446723
-179.52086333,59.11231935,-179.93996157,179.97646182,203.50380524,214.16535397
251.55220084,1.06607893,0.68848193,1.99862728

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448578/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.5957

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.1

>  <SCORE.INTRA>
-2.8043

>  <SCORE.INTRA.DIHEDRAL>
-3.3036

>  <SCORE.INTRA.DIHEDRAL.0>
4.58543

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.1525

>  <SCORE.INTRA.VDW.0>
0.931669

>  <SCORE.INTRA.norm>
-0.200307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.899693

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.079526

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  194.1571  207.9570  253.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2829  208.6194  255.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2754  208.2820  256.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2966  208.8754  257.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3350  209.8732  257.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3835  210.2455  256.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3358  209.5969  255.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1626  208.4058  258.5482 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.4526  206.9093  258.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4606  209.2118  258.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5194  208.6430  259.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4158  207.5644  255.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6281  208.1529  255.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8037  209.3638  255.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5692  207.1982  254.8706 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9418  207.6002  254.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3447  205.7642  255.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
95.25150809,-28.25651180,-2.65458481,196.22533894,208.32912758,256.36006233
2.61880662,-0.38058340,1.44193352

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448579/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.217

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-2.183

>  <SCORE.INTRA.DIHEDRAL>
-1.00063

>  <SCORE.INTRA.DIHEDRAL.0>
6.14032

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.68268

>  <SCORE.INTRA.VDW.0>
1.86379

>  <SCORE.INTRA.norm>
-0.128412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.365706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000178

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 31  0  0  0  0  0  0  0  0999 V2000
  194.6272  217.2589  246.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6687  218.0526  247.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6369  217.5901  249.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0814  217.7181  247.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2927  218.4216  247.7047 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8096  218.1027  246.9366 P   0  0  0  0  0  0  0  0  0  0  0  0
  199.6554  219.5679  247.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3133  216.8673  247.8521 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3267  217.7839  246.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4275  219.5218  247.8083 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1314  220.6188  248.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8847  220.9659  249.7387 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2082  221.1891  247.7800 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9451  222.5471  247.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4431  223.1890  248.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5171  223.2518  250.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6182  224.4314  250.4345 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1631  222.0467  251.0520 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9823  220.1901  251.3987 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5820  219.7574  251.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6416  219.3223  250.5346 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.7050  218.6834  251.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7184  218.1234  249.9873 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1137  218.0112  252.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1647  220.0517  246.4630 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0300  217.2307  248.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3182  216.8943  245.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7489  220.4224  247.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4265  222.2561  251.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7312  220.5573  250.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0087  218.5337  253.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2606  219.7767  246.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  6  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  6  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
M  END
>  <CHROM.1>
176.20832713,174.19584581,-176.48278752,130.45929789,-105.64547455,156.24247874
-84.10638794,73.55865274,157.04774151,97.31362616,-45.57815264,-117.35635423
-11.06647439,-65.45508948,92.41447498,-69.45918803,-61.24660895,-5.44869960
198.74808635,219.60034438,248.85256995,-2.63615488,-0.44614382,0.38467049

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448580/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-63.405

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.776

>  <SCORE.INTRA>
-82.805

>  <SCORE.INTRA.DIHEDRAL>
-15.3416

>  <SCORE.INTRA.DIHEDRAL.0>
32.6696

>  <SCORE.INTRA.POLAR>
-2.01029

>  <SCORE.INTRA.POLAR.0>
-0.983434

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-68.2992

>  <SCORE.INTRA.VDW.0>
60.9161

>  <SCORE.INTRA.norm>
-3.3122

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
-2.5362

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024768

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  204.5742  191.4992  248.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2965  191.6930  247.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2761  190.7730  247.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5589  189.6515  248.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8047  189.4611  249.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8231  190.3812  249.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6591  188.6853  247.6387 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.9041  188.7831  248.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4765  190.0948  248.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1865  187.3348  247.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8045  190.7174  248.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4524  187.3008  247.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
108.35073513,-61.47339263,60.95101772,62.67234803,206.75955895,189.76894610
248.27474071,-2.54354094,-0.09299315,-3.09063354

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448581/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.69946

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-2.70054

>  <SCORE.INTRA.DIHEDRAL>
-2.6619

>  <SCORE.INTRA.DIHEDRAL.0>
3.49909

>  <SCORE.INTRA.POLAR>
0.0307808

>  <SCORE.INTRA.POLAR.0>
-0.0307808

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.47424

>  <SCORE.INTRA.VDW.0>
0.443952

>  <SCORE.INTRA.norm>
-0.270054

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.469946

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016722

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  198.2444  224.7763  256.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4975  224.4467  257.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5978  223.3428  257.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8836  222.9584  258.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9665  223.4581  259.3633 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9879  221.7782  257.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4169  222.0563  257.8203 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.7674  220.7116  257.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2501  220.7551  257.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8364  221.0344  259.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4451  222.3519  259.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9593  222.4240  259.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0928  223.2727  256.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1768  223.0513  255.2595 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.6738  222.6520  254.8614 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.5221  223.6583  254.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9562  225.0264  253.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6490  225.2551  253.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6537  224.1838  254.3125 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.3866  224.9086  254.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8571  226.1235  253.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7188  221.2949  254.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 14 13  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
179.63758049,-1.33436724,-109.05433959,-178.58631308,75.18376674,-61.72267393
194.19141566,223.15869994,256.49052940,-0.88813183,0.29070542,2.01919112

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448582/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.22713

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-5.17287

>  <SCORE.INTRA.DIHEDRAL>
-5.24811

>  <SCORE.INTRA.DIHEDRAL.0>
7.26303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.54881

>  <SCORE.INTRA.VDW.0>
-0.619617

>  <SCORE.INTRA.norm>
-0.23513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.283052

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022722

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  195.1082  208.3247  251.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9912  206.8066  251.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6146  206.3602  251.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3977  204.8453  251.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9454  204.5206  251.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9173  205.1076  250.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1182  204.7630  249.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0774  205.4781  248.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1224  204.8270  248.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0524  205.5659  247.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9507  206.9626  247.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8922  207.6071  247.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9956  206.8725  248.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9603  207.6987  246.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8427  207.0294  245.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8962  209.2206  246.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9283  209.8722  247.5688 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.9410  209.7287  245.6598 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.7637  209.6472  245.7481 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.4708  203.6039  249.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6971  202.9567  249.8024 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7943  203.1283  247.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1927  204.0113  246.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5722  203.4887  245.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
177.14329522,-174.30906015,63.99355623,54.00703541,-80.47540304,123.33487757
0.33734194,56.30599949,-72.57100070,179.20554746,193.03899825,206.31165479
248.36554609,-0.51234252,0.83619531,1.71834173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448583/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.2873

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.641667

>  <SCORE.INTRA>
-4.11268

>  <SCORE.INTRA.DIHEDRAL>
-3.54098

>  <SCORE.INTRA.DIHEDRAL.0>
14.6738

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.34219

>  <SCORE.INTRA.VDW.0>
-1.09471

>  <SCORE.INTRA.norm>
-0.171362

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.470305

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005813

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  205.8929  212.1035  251.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9088  211.6691  250.1529 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3836  210.8475  249.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5757  211.3772  247.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1866  210.6112  246.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5853  209.2935  247.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2218  208.7259  248.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6624  209.4992  249.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3266  208.5512  246.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1357  207.4807  246.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8352  206.7677  245.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8230  207.0465  243.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5109  205.6971  245.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1521  205.5952  247.0764 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4678  206.7336  247.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2251  207.0705  248.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5695  204.5113  247.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2291  204.4441  249.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6248  203.3523  249.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4072  202.3434  249.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7791  202.4145  248.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3465  203.4849  247.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0485  213.1517  247.4568 Br  0  0  0  0  0  0  0  0  0  0  0  0
  209.3869  204.8309  245.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-103.87299080,157.98411363,178.42553511,207.31238511,208.55220790,247.77657480
2.90524935,1.05207767,-1.25549594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448584/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.2503

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-2.1497

>  <SCORE.INTRA.DIHEDRAL>
-2.03707

>  <SCORE.INTRA.DIHEDRAL.0>
8.58236

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13117

>  <SCORE.INTRA.VDW.0>
1.43959

>  <SCORE.INTRA.norm>
-0.0934654

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.271752

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  190.5731  216.3219  261.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7519  215.4923  260.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9209  215.6188  259.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1914  214.9508  258.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0555  214.0855  258.8694 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9044  213.5275  260.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2628  212.5005  260.6219 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.4782  211.5850  259.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0843  211.6212  260.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2400  210.8428  259.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8090  210.0498  258.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1970  209.9108  258.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0141  210.6092  259.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9565  209.3932  257.2950 N   0  3  0  0  0  0  0  0  0  0  0  0
  182.7381  209.3578  257.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5061  208.9426  256.2779 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.6069  214.4031  261.5347 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.2593  213.5827  257.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2360  214.1145  257.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6879  216.1247  257.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 17  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <CHROM.1>
-108.40066439,187.19030434,212.74569996,259.14314975,0.34350112,0.80682421
1.50915245

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448585/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.81687

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.58313

>  <SCORE.INTRA.DIHEDRAL>
1.77779

>  <SCORE.INTRA.DIHEDRAL.0>
4.05025

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.47203

>  <SCORE.INTRA.VDW.0>
0.586328

>  <SCORE.INTRA.norm>
-0.0291565

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.290843

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  202.0701  214.0234  239.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9263  214.8506  240.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7849  214.6105  241.8841 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7738  215.2901  242.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0238  216.0793  241.9218 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6488  215.0057  243.9245 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2428  214.7646  244.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2904  213.6831  244.5697 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2233  212.4020  243.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3428  211.8964  243.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2355  210.8066  242.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0044  210.1888  242.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8855  210.6494  242.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9964  211.7425  243.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7526  213.3115  246.4364 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.5508  215.8885  244.6601 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.6915  215.4674  244.8887 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0986  216.9880  245.0066 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <CHROM.1>
-179.23339001,-1.19931046,-135.33264849,-91.40600209,60.22092934,199.83818929
213.75090330,243.88592871,-1.21012114,1.24081064,1.09645161

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448594/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.47193

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-1.92807

>  <SCORE.INTRA.DIHEDRAL>
-2.48648

>  <SCORE.INTRA.DIHEDRAL.0>
7.20724

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.684833

>  <SCORE.INTRA.VDW.0>
-2.48817

>  <SCORE.INTRA.norm>
-0.107115

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.470663

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031908

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  192.9612  205.2764  262.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8198  205.6669  261.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1661  204.7886  260.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6595  203.5277  260.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8116  203.1343  261.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4647  204.0157  262.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8237  202.5842  259.3274 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6218  203.0029  258.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3869  203.9557  258.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5990  201.9639  257.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7997  201.8106  256.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9252  200.8302  255.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8538  199.9902  255.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6582  200.1297  255.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5172  201.1186  256.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1590  201.2370  257.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3641  200.3152  257.5925 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9109  202.5739  257.7552 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7002  202.8585  258.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4729  202.2834  259.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3695  202.6977  260.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5144  203.6829  259.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7506  204.2500  258.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8500  203.8413  257.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
55.91561893,15.49003539,-146.02447607,-157.26027656,-175.63269891,58.25258872
192.72083360,202.72512995,258.70799810,-2.15086108,-0.01850185,-2.20163577

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448595/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.1715

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-9.2285

>  <SCORE.INTRA.DIHEDRAL>
-15.484

>  <SCORE.INTRA.DIHEDRAL.0>
29.2634

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.20198

>  <SCORE.INTRA.REPUL.0>
0.20198

>  <SCORE.INTRA.VDW>
-0.476618

>  <SCORE.INTRA.VDW.0>
-1.75148

>  <SCORE.INTRA.norm>
-0.384521

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0904794

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005905

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  208.6087  201.1795  258.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5123  201.2735  257.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0466  200.9319  256.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9459  201.0253  255.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4897  200.6839  253.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3929  200.7819  252.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9404  200.4405  251.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8437  200.5334  250.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3930  200.1932  249.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2962  200.2836  248.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8448  199.9435  246.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7440  200.0284  245.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2812  199.6869  244.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1655  199.7709  243.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6773  199.4322  241.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5604  199.5110  240.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0885  199.1650  239.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0906  199.2180  238.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7141  198.8474  237.0971 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7763  199.8798  236.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9346  199.7614  237.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3806  197.5643  237.2241 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8172  196.9818  236.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7068  197.4442  234.9478 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5593  195.7106  236.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6358  199.8046  238.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.97107329,179.92735366,-179.77685425,179.98277246,179.80442472,179.94033585
179.89647182,179.99781549,179.73042466,-179.87325512,179.75186437,-179.97121692
179.76734275,-179.04958680,179.98441274,179.63423668,-63.58552059,71.33167835
170.31348484,-53.46763685,0.49312501,205.55351582,199.59698931,245.11043524
-1.35075262,0.78879716,-1.87345865

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448596/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.3046

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.016

>  <SCORE.INTRA>
-5.09536

>  <SCORE.INTRA.DIHEDRAL>
-7.38415

>  <SCORE.INTRA.DIHEDRAL.0>
8.6102

>  <SCORE.INTRA.POLAR>
-0.719348

>  <SCORE.INTRA.POLAR.0>
-0.000331212

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.0425

>  <SCORE.INTRA.VDW.0>
-3.27779

>  <SCORE.INTRA.norm>
-0.203814

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.812186

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  217.9168  189.5034  243.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5594  190.8886  243.3240 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1803  191.2331  244.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3817  191.2223  244.9245 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2628  191.5492  245.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6373  191.0245  242.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5380  190.8354  240.8171 P   0  0  0  0  0  0  0  0  0  0  0  0
  220.5649  191.6066  240.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6484  189.2822  240.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0709  191.2215  240.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3405  189.0587  242.2193 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7199  191.7466  246.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.9295  188.7781  240.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.3958  190.6666  240.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.8858  188.2082  242.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
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M  END
>  <CHROM.1>
-178.09932977,-175.09947538,105.96293169,63.71966943,179.20372928,153.46876483
60.52369487,-58.68537174,219.04461396,190.66711209,242.37055881,1.71923890
0.66249212,1.38175805

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448597/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.65655

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-11.0566

>  <SCORE.INTRA.DIHEDRAL>
-7.27018

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-1.23311

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.22889

>  <SCORE.INTRA.VDW.0>
1.26825

>  <SCORE.INTRA.norm>
-1.00514

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
-0.150596

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057692

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  224.9370  176.8699  246.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4296  177.1021  246.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6996  175.9580  245.9296 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.1690  174.5948  246.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3673  173.4705  246.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7432  172.2045  246.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9312  172.0424  247.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7473  173.1438  247.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3835  174.4243  247.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2726  175.5925  247.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8447  176.0659  244.4875 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.0263  176.8676  243.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0605  177.4683  244.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3871  176.9417  242.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4941  177.8060  241.9782 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.6995  177.3445  242.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8861  176.3097  243.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7833  178.2900  242.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0919  177.9789  242.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1435  178.8436  242.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8976  179.9863  241.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5931  180.3175  240.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5353  179.4756  241.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.3899  178.4545  242.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.3494  179.4003  242.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.6744  178.9870  242.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.7227  179.8722  242.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.4483  181.1741  243.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.1287  181.5790  243.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0812  180.6848  243.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6512  175.6247  244.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  6  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-83.82297117,-78.03473263,71.36245071,-4.18843816,177.84769591,-151.73097141
-152.15216137,225.86906615,177.30369643,244.02196069,-2.46024735,-0.24269175
-0.85347102

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448598/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4045

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.413333

>  <SCORE.INTRA>
-1.99545

>  <SCORE.INTRA.DIHEDRAL>
-1.86062

>  <SCORE.INTRA.DIHEDRAL.0>
7.23621

>  <SCORE.INTRA.POLAR>
-0.424145

>  <SCORE.INTRA.POLAR.0>
-0.137976

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.37695

>  <SCORE.INTRA.VDW.0>
-1.20512

>  <SCORE.INTRA.norm>
-0.0665152

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.346818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001326

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  191.5546  216.8222  246.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8686  216.4871  246.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1547  216.9266  248.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3800  216.6207  248.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3490  215.8723  248.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0463  215.4364  246.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8263  215.7380  246.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7193  215.5233  248.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5518  217.1893  250.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5703  217.0492  250.9024 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4916  217.9488  250.6058 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6022  218.4888  251.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6102  219.6449  252.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2264  220.8075  251.8816 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9273  219.2430  252.1769 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0474  220.0957  252.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3135  219.5056  252.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4582  220.3029  252.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3444  221.6906  252.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0941  222.2903  252.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9509  221.4936  252.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4301  222.4734  252.5955 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.0090  219.5589  252.6194 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.1151  218.2465  252.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-177.81653233,178.59241749,74.21571623,93.76429965,-177.81646960,196.24754536
218.68421852,250.61463271,2.30337762,0.10010252,-2.41161689

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448599/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.55382

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-2.84618

>  <SCORE.INTRA.DIHEDRAL>
-5.40866

>  <SCORE.INTRA.DIHEDRAL.0>
7.84094

>  <SCORE.INTRA.POLAR>
-0.499593

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.55676

>  <SCORE.INTRA.VDW.0>
0.00396162

>  <SCORE.INTRA.norm>
-0.123747

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.328427

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000156

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  183.5150  213.4917  254.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9873  213.4869  254.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4260  214.8022  253.9390 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1145  214.8765  253.5696 P   0  0  0  0  0  0  0  0  0  0  0  0
  186.8679  216.2368  252.8959 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5054  215.1666  255.4407 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.6145  216.1420  256.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6799  215.7142  257.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7034  217.6020  255.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4936  213.8459  255.9969 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8354  212.9384  255.3893 P   0  0  0  0  0  0  0  0  0  0  0  0
  189.7785  213.5768  256.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2024  211.5608  256.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2102  210.8906  255.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7404  209.6494  256.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1771  212.0310  254.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0377  211.5014  253.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2782  210.7433  253.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8030  214.9507  253.2003 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2276  214.6457  251.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7250  214.7538  251.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  6  7  1  1  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
178.81546150,163.93974728,-43.30536218,174.66017706,105.63017019,68.00886489
81.64463881,83.20610988,-73.24205874,179.84925751,179.32705760,-179.79546120
187.80150655,213.73847976,254.59731416,2.53310392,0.52429105,-0.41662668

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448600/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.73138

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.828571

>  <SCORE.INTRA>
-8.66862

>  <SCORE.INTRA.DIHEDRAL>
-2.69298

>  <SCORE.INTRA.DIHEDRAL.0>
10.221

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.32213

>  <SCORE.INTRA.VDW.0>
1.02448

>  <SCORE.INTRA.norm>
-0.412792

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.41578

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  208.4360  190.1934  246.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6827  189.8722  245.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7815  188.7822  245.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0101  188.5302  244.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1047  189.3754  244.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0102  190.4684  245.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8118  190.7020  246.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1522  191.2122  245.6049 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9873  192.6187  245.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6297  187.8398  244.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0997  187.3310  245.8504 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3022  187.3250  243.4846 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8900  188.3398  242.3777 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.8247  187.4924  241.1656 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6888  186.4172  241.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9505  185.5320  240.5075 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2931  186.5628  242.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4206  186.2124  242.9566 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4570  188.0020  239.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4772  188.8232  239.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2823  190.2056  239.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1826  191.0983  238.5986 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3593  190.5964  238.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6522  189.2420  238.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6966  188.3448  238.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8562  189.5256  242.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5111  190.7474  242.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4205  191.8048  242.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6780  191.6824  242.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0143  190.5124  241.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1158  189.4414  241.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  6  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-52.01358569,143.76078506,-62.14705539,-99.68368292,74.83514196,-104.79397641
209.71957802,189.17355484,242.62876806,0.98490008,1.00229875,1.80021792

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448601/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20025

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-5.19975

>  <SCORE.INTRA.DIHEDRAL>
3.79156

>  <SCORE.INTRA.DIHEDRAL.0>
7.7983

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.09553

>  <SCORE.INTRA.VDW.0>
-0.97218

>  <SCORE.INTRA.norm>
-0.167734

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.200008

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001083

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  193.1533  223.2814  251.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4786  222.3668  250.2941 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6305  221.4173  250.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9163  221.7192  250.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9677  220.8190  250.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7498  219.6094  250.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4890  219.3075  251.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4400  220.2090  251.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2355  221.7355  249.7553 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6558  222.3947  248.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4661  222.9231  248.7866 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7783  222.4092  249.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9181  221.0803  250.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3449  221.0431  250.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6016  220.5113  251.6358 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8727  220.5010  250.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2541  219.4917  250.6305 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6416  221.2495  252.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3100  220.5718  253.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3701  221.2678  254.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7517  222.6169  254.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0360  223.2960  253.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9739  222.6080  252.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2923  223.2412  250.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4542  222.3775  247.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6774  221.7201  247.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3432  221.6967  246.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7998  222.3443  244.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6255  223.0755  245.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9631  223.1028  246.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5746  222.2350  243.4353 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
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  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 24  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
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M  END
>  <CHROM.1>
-99.79185962,95.82779886,1.60010563,192.04499454,221.70992967,249.65422275
-2.25229293,0.20716373,-1.34414048

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448610/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.66945

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.270968

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-3.18019

>  <SCORE.INTRA.DIHEDRAL.0>
4.82281

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-1.00579

>  <SCORE.INTRA.norm>
-0.0880823

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.182885

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000435

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  211.0053  195.9091  252.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0844  194.8041  251.3840 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.6561  193.9917  251.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.2596  195.1323  250.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5063  194.4560  251.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0910  193.3256  251.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4914  191.9237  251.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2827  191.0962  252.9487 C   0  0  2  0  0  0  0  0  0  0  0  0
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  211.4989  187.4056  253.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
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  212.8881  189.0799  255.2152 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.9088  190.3643  255.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
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  210.5390  192.6603  253.4998 O   0  0  0  0  0  0  0  0  0  0  0  0
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  209.7632  193.4647  258.5059 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
92.17862265,68.31127342,-139.40654783,-175.37792638,211.37196958,191.49217890
254.14379566,1.13938553,1.37603091,-0.81574491

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
0.368538

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-0.0258121

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.2883

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002560

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 57 62  0  0  0  0  0  0  0  0999 V2000
  215.4895  193.5985  240.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0966  193.8760  240.8716 O   0  0  0  0  0  0  0  0  0  0  0  0
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  211.9200  192.8518  244.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
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  210.1749  196.7841  249.1547 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3024  198.0997  248.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3037  192.7320  253.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6735  186.4996  246.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 48  1  0  0  0  0
 11 10  1  6  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  1  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 19 23  1  0  0  0  0
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 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
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 33 35  1  0  0  0  0
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 35 57  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
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M  END
>  <CHROM.1>
-120.69514043,-23.61908796,-172.69909339,178.20101737,-119.25067764,-173.80070278
57.19213862,84.81010719,-170.50781414,-179.91454005,-4.09028150,55.08843363
57.01916056,178.90432307,55.81154477,131.01078575,209.89317935,191.81634177
247.90688932,-0.59388725,0.97144499,0.39068603

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448612/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6166

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.370909

>  <SCORE.INTRA>
-8.78335

>  <SCORE.INTRA.DIHEDRAL>
-6.96461

>  <SCORE.INTRA.DIHEDRAL.0>
21.1742

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.30105

>  <SCORE.INTRA.VDW.0>
-1.28178

>  <SCORE.INTRA.norm>
-0.159697

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
0.211212

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.177078

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  210.1856  225.0417  261.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1676  225.4933  260.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5330  225.6043  259.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6146  226.0274  258.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3211  226.3715  258.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9434  226.2514  260.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8624  225.8101  261.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9159  226.1317  256.9312 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1071  225.7758  256.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0911  225.2874  256.8660 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1057  225.9991  254.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2658  224.5959  254.0154 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.6709  224.6085  254.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0490  225.7305  254.9917 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8300  225.4202  255.5249 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7208  224.1063  255.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8681  223.5223  255.0372 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1200  222.1362  254.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4391  221.6640  254.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7005  220.2943  254.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6458  219.3874  254.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3318  219.8439  254.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0647  221.2157  254.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9700  217.7026  254.6693 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.5679  223.3734  256.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8897  222.8748  257.5296 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1008  222.3173  257.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1937  220.9180  257.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4130  220.2649  258.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5852  220.9971  258.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5167  222.3874  258.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2845  223.0382  258.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7222  220.2564  258.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8513  220.6915  257.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1356  226.3528  256.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4170  223.3944  258.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
3.67753710,-81.18957490,59.31637172,36.11722283,-100.88552248,27.38494966
-39.82069271,-98.37178109,136.19582254,207.98866905,223.08202326,256.75109134
-0.86272161,1.32855090,2.95147407

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448613/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.12244

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.423529

>  <SCORE.INTRA>
-11.2776

>  <SCORE.INTRA.DIHEDRAL>
-3.52774

>  <SCORE.INTRA.DIHEDRAL.0>
14.055

>  <SCORE.INTRA.POLAR>
-0.788295

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.83349

>  <SCORE.INTRA.VDW.0>
-1.64503

>  <SCORE.INTRA.norm>
-0.331693

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.0918365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  209.4539  189.5333  252.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3106  188.5429  252.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7225  187.3914  251.4335 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.4381  187.9912  250.2765 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2278  189.0618  250.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6123  188.4554  249.1071 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.9964  187.3576  248.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8185  186.3962  247.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2588  185.3129  246.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8787  185.2071  246.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0456  186.1777  247.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6014  187.2531  248.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3436  184.1457  246.1987 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.5660  189.4901  249.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4847  190.8594  249.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2450  191.2778  249.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6557  190.1506  250.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4494  189.0666  250.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6697  186.3707  251.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4783  186.4457  251.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2207  185.3060  250.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5219  184.6581  250.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
6.43483512,-72.22557699,-57.45446264,106.39667855,179.48310952,207.66661888
187.61996031,249.49744553,-1.29923734,0.87709248,-2.62902383

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448614/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.93223

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-1.46777

>  <SCORE.INTRA.DIHEDRAL>
-0.398481

>  <SCORE.INTRA.DIHEDRAL.0>
3.23571

>  <SCORE.INTRA.POLAR>
0.0676451

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.49852

>  <SCORE.INTRA.VDW.0>
-2.92733

>  <SCORE.INTRA.norm>
-0.0698939

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.377725

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  195.7664  218.7517  250.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8002  217.7091  250.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1001  216.5474  250.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6541  216.3424  252.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0118  215.1965  252.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7850  214.2209  252.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1693  214.3835  250.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8246  215.5352  250.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3062  215.5050  248.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6593  215.8307  248.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8920  215.7850  247.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5762  214.9049  246.4947 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2959  216.7360  246.2319 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5979  217.9539  246.6536 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2125  219.1891  245.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5203  220.4716  246.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0325  220.4120  246.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3785  219.2062  246.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0602  217.8793  246.3949 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.4216  216.8067  247.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6186  215.8341  246.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3213  215.8230  245.4085 O   0  0  0  0  0  0  0  0  0  0  0  0
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  193.3882  215.1158  248.9531 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0085  214.1561  249.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.0809  211.8345  250.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2775  212.1600  251.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8675  213.4798  251.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2232  214.4899  250.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7024  215.6953  251.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4383  216.6903  250.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5178  216.6350  245.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6370  216.7362  248.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 33  1  0  0  0  0
 14 13  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
91.01590726,98.15008862,-176.99894018,-110.00198766,124.83705579,-127.07898697
13.70220743,-179.01578262,51.59948459,25.99841677,194.78006307,216.06034197
248.89588262,1.08005160,0.27853798,-0.69591726

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448616/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.63548

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
9.24523

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.4756

>  <SCORE.INTRA.VDW.0>
1.70812

>  <SCORE.INTRA.norm>
-0.336391

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.144859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000094

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  202.7112  219.8652  256.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1803  219.0149  255.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3477  219.7474  254.6136 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8296  219.0393  253.1226 P   0  0  0  0  0  0  0  0  0  0  0  0
  199.8762  219.4666  253.5141 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.4745  220.3582  252.3573 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8359  220.3463  251.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1456  221.6640  251.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1948  218.1716  251.2955 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.4484  217.2351  251.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.86668830,77.75503340,88.34440445,174.04274386,179.53341470,201.91216895
219.50306474,253.20889841,-1.64867285,-0.57426041,-1.60094712

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448618/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.15556

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07869

>  <SCORE.INTRA.VDW.0>
-0.329488

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.050609

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  190.4139  211.3508  259.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3804  210.2701  259.6339 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4497  210.3590  260.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3210  209.1039  260.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8307  208.7788  259.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1287  209.3565  258.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9658  210.3119  258.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5520  209.1121  256.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6330  208.2778  256.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2981  207.6762  257.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9294  207.8968  258.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7258  207.2219  260.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0232  207.8801  261.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7664  207.2655  262.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2040  205.9555  262.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9373  205.2805  260.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2419  205.9211  259.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-36.93538700,194.26771491,208.41156994,259.56572691,2.85710732,0.69942324
-1.61586653

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448619/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39778

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-0.0022174

>  <SCORE.INTRA.DIHEDRAL>
-0.115574

>  <SCORE.INTRA.DIHEDRAL.0>
1.85587

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0555698

>  <SCORE.INTRA.VDW.0>
-0.223579

>  <SCORE.INTRA.norm>
-0.000130435

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.37634

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034822

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  224.7376  179.6308  235.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0101  180.4453  235.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6531  181.8206  235.7361 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.7968  182.6669  235.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3445  184.1284  235.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4907  184.4107  237.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0621  185.7711  237.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1583  185.9524  238.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9907  185.1168  238.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1337  185.2191  239.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2828  185.9505  240.2905 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9596  184.3080  239.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
179.96394288,179.82649524,60.20100651,-179.67357231,179.82967496,-60.22023549
-179.97751405,-0.06534756,224.38060321,183.77204476,237.35274454,0.90806986
-0.52597420,-2.80309603

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448620/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6071

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.11667

>  <SCORE.INTRA>
-1.79286

>  <SCORE.INTRA.DIHEDRAL>
-1.60072

>  <SCORE.INTRA.DIHEDRAL.0>
1.60194

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.992504

>  <SCORE.INTRA.VDW.0>
0.629658

>  <SCORE.INTRA.norm>
-0.149405

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.967261

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026512

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  198.5741  223.6004  254.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8229  222.1917  254.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4330  221.9649  253.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2858  221.0649  255.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4941  219.7577  254.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9289  218.6803  255.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1568  218.8736  256.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0166  220.1836  256.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5606  221.2708  256.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5894  217.8124  257.2698 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2741  216.9214  258.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8793  215.7227  257.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6715  215.1546  256.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2140  213.9111  256.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9822  213.2186  256.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2497  213.8086  258.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7453  215.0518  258.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1274  215.5758  259.7315 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5492  216.6991  260.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0222  217.3128  261.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3804  218.4192  261.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1950  218.8786  261.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7525  218.3266  260.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4975  217.3158  259.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8130  217.3864  256.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 24  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
178.89038961,74.66467045,-87.05911643,198.10887625,218.05246194,257.46995859
1.52898620,1.44218000,-0.57371571

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448621/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.86977

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.530226

>  <SCORE.INTRA.DIHEDRAL>
-0.0940454

>  <SCORE.INTRA.DIHEDRAL.0>
1.12549

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.483203

>  <SCORE.INTRA.VDW.0>
-0.502101

>  <SCORE.INTRA.norm>
-0.0220928

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.327907

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001125

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  205.6042  190.9626  248.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1444  191.2528  249.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2968  191.1947  250.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7860  191.4757  251.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1258  191.8345  252.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9805  191.8779  250.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4893  191.5888  249.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6007  192.1542  253.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8213  192.0618  254.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0643  192.5582  253.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2087  193.9598  253.9992 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0528  194.9422  253.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8068  194.7445  251.8659 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1885  196.3583  253.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4201  196.5552  254.8214 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5187  197.8453  255.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8279  198.1094  256.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6817  199.6181  256.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8716  200.3382  257.6478 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2790  200.0531  255.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1183  199.0103  254.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6761  199.1147  253.4641 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2509  194.2131  254.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0603  201.0074  255.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
1.96674750,110.53433522,-75.87569180,-0.70816468,-177.58802131,208.23468531
194.98297530,253.30455979,2.77201298,1.23969431,2.55616568

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448622/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.6159

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-5.7841

>  <SCORE.INTRA.DIHEDRAL>
-12.177

>  <SCORE.INTRA.DIHEDRAL.0>
14.6462

>  <SCORE.INTRA.POLAR>
-0.00857781

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.333555

>  <SCORE.INTRA.VDW.0>
-0.657837

>  <SCORE.INTRA.norm>
-0.262914

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.209814

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010938

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  196.3138  206.2624  249.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9130  205.0821  249.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8750  204.1657  250.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2285  204.4126  250.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6134  205.5908  249.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6697  206.5520  248.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0512  207.7087  248.3982 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9844  208.8831  248.1780 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.5429  210.1874  247.8285 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7319  208.5486  247.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3736  209.2217  249.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1138  209.5615  250.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0975  209.7902  251.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3453  209.6052  252.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5207  209.1638  251.1273 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.7783  209.7851  253.9152 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.4763  203.0196  250.9978 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2526  202.0265  251.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4860  201.1531  252.1572 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2051  201.6091  251.9929 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1842  202.7368  251.2956 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-177.90608056,11.07980286,166.27883573,-143.31492718,196.72233811,206.93597159
250.44737276,-1.86194374,1.41378707,0.16661410

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448625/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.61791

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.78209

>  <SCORE.INTRA.DIHEDRAL>
-6.7522

>  <SCORE.INTRA.DIHEDRAL.0>
8.18083

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.594007

>  <SCORE.INTRA.VDW.0>
-2.42588

>  <SCORE.INTRA.norm>
-0.132481

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.315138

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001688

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  204.0829  206.5342  247.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5968  205.3558  248.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3237  204.8866  248.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5274  205.5913  247.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0121  206.7715  246.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2909  207.2478  246.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7797  208.4581  246.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0942  209.0631  245.4108 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0244  208.8479  246.5579 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7744  203.2979  248.6846 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.7551  202.8365  249.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3722  203.4274  249.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9456  202.3489  247.2823 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5682  202.3086  246.6810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.3588  209.6439  246.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.3180  202.7018  246.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
8.50826058,178.89479000,-179.24799197,59.46592797,202.78471012,205.01943094
247.49681256,-1.24510304,-0.62231117,3.01854114

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448634/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.89389

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.50611

>  <SCORE.INTRA.DIHEDRAL>
-3.88379

>  <SCORE.INTRA.DIHEDRAL.0>
5.06394

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.564213

>  <SCORE.INTRA.VDW.0>
-0.972816

>  <SCORE.INTRA.norm>
-0.179008

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.420992

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008050

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  181.2354  211.5380  256.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5041  212.2755  255.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3448  213.2792  254.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.5324  212.6775  254.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3406  211.9349  255.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4810  210.9513  256.0426 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8424  209.6268  256.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9322  209.0937  255.6979 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0082  207.7305  255.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9596  207.0237  255.6091 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.7757  207.2008  256.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5500  205.8989  256.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3182  205.4075  257.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9425  204.0991  257.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6201  204.1226  258.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.2421  205.4445  258.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2427  206.2115  257.6369 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.0518  206.1624  258.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.2743  205.5564  259.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.1741  206.2008  260.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.8217  207.4716  259.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.5570  208.0793  258.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6662  207.4426  258.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3399  208.1937  257.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3221  209.4646  257.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.8331  207.5279  256.0889 O   0  5  0  0  0  0  0  0  0  0  0  0
  181.7554  208.5192  256.9527 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 27  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  1  26  -1
M  END
>  <CHROM.1>
179.70692119,179.24433335,27.40516095,-149.65007621,180.57148550,208.23094646
256.99633718,0.82101158,0.36390160,-0.27982982

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448635/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.69982

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-2.70018

>  <SCORE.INTRA.DIHEDRAL>
-4.97738

>  <SCORE.INTRA.DIHEDRAL.0>
10.9791

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.211493

>  <SCORE.INTRA.VDW.0>
-1.73349

>  <SCORE.INTRA.norm>
-0.100007

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.248141

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000313

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  228.8258  188.7167  244.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4644  188.1795  244.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4970  187.6115  245.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3339  187.6189  244.7038 N   0  3  0  0  0  0  0  0  0  0  0  0
  223.9198  187.3484  245.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9736  187.5036  244.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3296  187.8431  242.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6601  188.0721  242.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5999  187.9802  243.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8809  188.2814  243.3895 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.5863  187.1632  246.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6792  186.5778  247.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.9067  187.3702  247.6383 C   0  0  1  0  0  0  0  0  0  0  0  0
  228.2453  188.7649  248.2310 C   0  0  2  0  0  0  0  0  0  0  0  0
  229.1707  188.5437  249.3474 N   0  0  0  0  0  0  0  0  0  0  0  0
  229.1598  187.2185  249.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.9402  186.6743  250.4895 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.1547  186.5013  248.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8486  185.3343  248.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
  230.2096  189.5323  249.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.8129  190.7318  250.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1370  190.3130  251.9139 N   0  3  0  0  0  0  0  0  0  0  0  0
  228.3522  189.6920  251.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
  230.0163  189.5810  252.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4398  191.4680  252.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0519  189.6803  248.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2587  189.7724  249.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0120  190.4351  249.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6044  191.0590  248.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4204  191.0775  247.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6350  190.4108  247.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0698  190.6088  250.5591 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4488  190.8752  251.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6899  189.1731  250.7857 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0896  187.8859  250.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3341  188.6323  242.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  1  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  CHG  2   4   1  22   1
M  END
>  <CHROM.1>
-173.85376590,80.20516343,89.51346309,83.68155885,53.20360157,-52.73033921
-97.27018475,39.05928381,226.86646619,188.70815676,248.09706245,-2.02915123
-0.45793299,1.11922989

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448636/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27812

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394118

>  <SCORE.INTRA>
-5.12188

>  <SCORE.INTRA.DIHEDRAL>
0.16389

>  <SCORE.INTRA.DIHEDRAL.0>
11.265

>  <SCORE.INTRA.POLAR>
-0.29452

>  <SCORE.INTRA.POLAR.0>
-1.20548

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.20246

>  <SCORE.INTRA.VDW.0>
-3.28967

>  <SCORE.INTRA.norm>
-0.150644

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.243474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  212.3527  178.3505  246.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9431  178.0685  247.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8814  176.6192  247.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3380  178.5526  247.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4996  180.0759  247.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8322  180.5293  249.1692 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3804  180.5832  249.2762 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.1443  181.8969  249.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1220  182.7631  249.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9754  182.5499  249.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8492  183.3805  249.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7235  183.1530  248.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7307  182.1068  247.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8499  181.2911  247.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9748  181.5138  248.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6430  181.8765  246.6831 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.0707  183.9443  250.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3726  182.1978  250.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4741  182.9860  251.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4669  181.3225  250.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6458  181.4156  250.3782 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8907  179.3791  250.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6652  178.7621  249.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2367  177.6266  250.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0276  177.0884  251.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2446  177.6743  251.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6715  178.8050  251.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5077  175.6921  252.3609 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.8770  184.0255  251.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  1  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
80.11003090,56.17219297,-69.94274663,-145.36193895,170.60963515,-1.39030204
211.50036700,180.13423457,249.48806308,1.00883266,0.26082063,2.91293505

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448637/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.50168

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-5.89832

>  <SCORE.INTRA.DIHEDRAL>
-11.4503

>  <SCORE.INTRA.DIHEDRAL.0>
14.3494

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.173146

>  <SCORE.INTRA.VDW.0>
-2.60667

>  <SCORE.INTRA.norm>
-0.210654

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.160774

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000526

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  198.8576  205.2461  249.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9527  205.5310  248.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9805  206.3159  247.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8662  206.7465  248.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8117  206.5205  249.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7990  205.7616  250.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6820  205.4938  251.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5153  204.5077  252.2574 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.0095  206.5969  252.5541 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.4300  205.1359  252.2067 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.4994  207.5164  247.5929 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.1801  206.5190  246.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0356  207.7768  245.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0943  208.9671  246.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8306  210.2200  245.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5965  210.2630  244.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5850  209.0771  243.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7995  207.8413  244.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4642  211.5163  243.7252 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.4647  212.2534  243.6760 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4352  211.6694  243.0286 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.7473  211.4077  246.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3929  212.5102  246.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9951  211.1305  247.9531 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  3  19   1  21  -1  24  -1
M  END
>  <CHROM.1>
-134.53916651,-12.95929429,20.48013976,-173.65388485,197.53199824,208.13067572
247.57548131,-1.24863454,1.52247921,-1.20717671

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448638/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.61236

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-0.787642

>  <SCORE.INTRA.DIHEDRAL>
-2.32881

>  <SCORE.INTRA.DIHEDRAL.0>
6.32126

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.376762

>  <SCORE.INTRA.VDW.0>
-1.62771

>  <SCORE.INTRA.norm>
-0.0328184

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.358848

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000601

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 44  0  0  0  0  0  0  0  0999 V2000
  205.5627  193.7346  243.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4867  192.5861  243.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5696  192.9773  242.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2561  192.0868  241.9491 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8570  194.3146  242.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9908  194.8119  241.4830 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2686  195.0044  242.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3491  194.4609  242.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1510  196.0196  243.4366 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9742  197.1826  242.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7848  197.6992  244.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9714  196.4366  244.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5386  195.8571  244.9046 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.3055  195.1143  246.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8443  195.5574  247.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4793  194.0890  246.5431 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2660  192.8124  245.8794 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.7404  192.7764  245.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9467  193.3744  246.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2975  191.9958  244.5958 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1580  192.5659  244.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6549  192.4060  244.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4607  192.1261  243.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0936  190.7515  243.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8055  190.4884  241.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2997  191.3906  240.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4345  191.0840  239.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9296  192.6172  240.6796 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7874  192.8073  239.5731 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3350  193.9935  240.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4649  194.3466  239.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7337  193.4589  238.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8284  193.6121  237.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7011  194.6710  237.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4501  195.5808  238.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3503  195.4203  239.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6294  191.4579  242.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5068  194.9714  242.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.3370  194.0191  247.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9595  191.3194  244.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4772  193.4475  241.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2982  193.6082  239.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  6  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 41  1  0  0  0  0
 29 42  1  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <CHROM.1>
179.47204104,66.66307058,178.42725628,-67.01746521,175.56976185,-67.81578103
-96.16217269,109.57655818,-166.21134694,174.60284822,210.21064818,193.69726568
242.62107858,2.23295599,0.57992619,1.12945384

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448639/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.77856

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389189

>  <SCORE.INTRA>
-8.62144

>  <SCORE.INTRA.DIHEDRAL>
0.273305

>  <SCORE.INTRA.DIHEDRAL.0>
3.52966

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.3581

>  <SCORE.INTRA.VDW.0>
-1.66314

>  <SCORE.INTRA.norm>
-0.233012

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.156177

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.140063

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  202.0405  222.9766  256.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0658  222.6750  254.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4831  221.4984  254.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5406  221.2052  252.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1677  222.0807  252.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7375  223.2574  252.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6935  223.5505  253.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0559  219.9295  252.6073 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0252  219.4835  251.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4173  220.0541  250.2937 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4933  218.0390  251.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1694  217.4324  252.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5472  217.5681  250.0089 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1823  216.2319  249.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5015  215.2069  250.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2432  213.8850  250.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6848  213.5896  249.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3758  214.6148  248.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6323  215.9453  248.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7939  214.2933  246.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.24254803,2.05822643,-0.07924144,176.50208315,-37.46757020,200.88375700
218.67762759,251.40520152,0.40809746,1.29193670,1.74256567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448640/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.03157

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-2.36843

>  <SCORE.INTRA.DIHEDRAL>
-6.14285

>  <SCORE.INTRA.DIHEDRAL.0>
7.77482

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.702999

>  <SCORE.INTRA.VDW.0>
-0.850556

>  <SCORE.INTRA.norm>
-0.118421

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.401579

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000360

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  205.3311  201.5142  245.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9637  200.5316  245.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5230  200.2544  247.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4447  200.9560  247.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8067  201.9339  247.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2492  202.2101  245.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9964  200.6568  249.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5198  200.2531  249.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2384  198.9509  248.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4054  199.1155  247.1636 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2816  198.3213  246.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9345  197.4165  246.9615 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4023  198.5808  244.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3398  197.8276  244.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5313  198.0612  242.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7847  199.0605  242.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8500  199.8215  242.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6616  199.5803  244.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9945  199.3247  240.8344 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.8359  198.6397  240.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3115  200.2164  240.3090 O   0  5  0  0  0  0  0  0  0  0  0  0
  201.8022  199.7660  246.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <CHROM.1>
-123.19435893,63.24387263,-67.06129696,123.21080483,176.83107956,203.86108161
199.65496118,245.19299593,-1.71561173,-1.14239780,-1.83618724

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448641/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25848

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-4.14152

>  <SCORE.INTRA.DIHEDRAL>
-2.88989

>  <SCORE.INTRA.DIHEDRAL.0>
5.06388

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.69658

>  <SCORE.INTRA.VDW.0>
-1.05511

>  <SCORE.INTRA.norm>
-0.197215

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.298023

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003414

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  190.7154  209.4816  261.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7105  208.4477  260.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9568  207.4199  261.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9396  206.3401  261.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4309  205.4575  260.2374 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4605  204.4233  259.7191 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6858  205.0887  259.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2897  205.8373  257.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4887  206.5139  257.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0466  207.2491  255.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2208  207.9358  255.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7691  208.6695  253.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8857  209.2883  253.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9368  203.5721  260.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2515  204.7887  260.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4284  210.5415  260.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4340  211.5616  260.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1281  212.6318  259.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1460  213.6521  260.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9810  213.7624  259.8596 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6963  214.4607  261.1479 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5576  209.7601  252.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1769  203.0853  261.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9113  204.2507  259.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.0773  215.1285  261.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  1  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <CHROM.1>
179.93183117,-179.91502354,179.87094798,-64.90865402,175.58945412,-64.59850612
178.23447358,-65.90717343,61.04520500,179.77686526,-179.86208138,-179.85963869
-179.79639561,-179.37342945,-178.94969050,-179.79003124,-179.90413308,-108.40320087
179.95025723,192.35735602,208.44201070,259.07539822,2.77993044,0.79289304
-0.60367889

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448650/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.9929

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.971429

>  <SCORE.INTRA>
-2.40707

>  <SCORE.INTRA.DIHEDRAL>
0.473035

>  <SCORE.INTRA.DIHEDRAL.0>
1.37451

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.64359

>  <SCORE.INTRA.VDW.0>
0.673342

>  <SCORE.INTRA.norm>
-0.114623

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.856806

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009852

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  189.0108  213.8998  252.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3182  213.4701  253.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6184  214.3926  253.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5932  215.7056  253.5582 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.2650  216.1351  252.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9869  215.2458  251.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8496  216.6812  254.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7668  217.5230  255.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0859  218.6648  254.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2940  216.9468  256.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9671  215.6535  256.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5136  215.1542  258.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3772  215.9482  258.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6975  217.2353  258.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1508  217.7404  257.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9358  215.5035  260.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6314  214.6012  260.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
103.97325110,99.47331754,-0.21826102,-0.59121002,188.47329729,216.00797146
255.52314108,-2.19659545,-1.28564750,0.76342546

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448651/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.87546

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-1.52454

>  <SCORE.INTRA.DIHEDRAL>
-2.11492

>  <SCORE.INTRA.DIHEDRAL.0>
4.62599

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.467078

>  <SCORE.INTRA.VDW.0>
0.0552642

>  <SCORE.INTRA.norm>
-0.0952835

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.429716

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018122

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  190.8160  219.1564  266.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0318  219.8492  265.0390 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.2053  221.3317  265.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3248  222.3062  264.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8770  222.0175  264.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2071  222.5558  265.8594 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3546  221.0825  264.1109 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6145  221.5703  262.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5721  221.7724  261.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6623  222.7987  261.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3905  220.7046  261.5855 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3006  219.4549  263.5203 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7807  219.3653  263.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2016  217.9480  263.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9317  217.0511  263.4451 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.7912  218.0358  263.0273 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3924  217.6691  263.5761 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.2199  216.1542  263.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1517  215.6570  264.7707 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.5925  216.2243  264.7049 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7515  215.4576  265.3370 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.2819  214.4208  266.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1717  213.5083  265.8115 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.8860  214.2273  265.3060 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8294  214.4331  266.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4684  213.1712  267.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7203  212.5490  267.7958 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.8973  212.3734  266.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1148  213.4017  268.8627 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2324  213.3326  264.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6517  214.9323  264.3736 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3435  218.2962  262.8347 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7171  217.9679  261.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9762  220.2505  264.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0056  220.8938  260.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.4115  213.3709  269.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.1863  214.3313  263.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.4770  219.2573  262.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 35  1  0  0  0  0
 12  2  1  1  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  6  0  0  0
 17 18  1  0  0  0  0
 17 32  1  6  0  0  0
 19 18  1  6  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
M  END
>  <CHROM.1>
-167.94252029,-46.09670582,62.27686383,94.15353740,-96.34163113,89.72631186
-128.14702279,-178.38958565,-59.02595397,-59.30747649,64.79729477,189.29930188
217.62363106,264.53145744,-1.73512584,-0.48990833,2.68018271

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448652/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.40971

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-13.8097

>  <SCORE.INTRA.DIHEDRAL>
-5.14639

>  <SCORE.INTRA.DIHEDRAL.0>
13.0182

>  <SCORE.INTRA.POLAR>
-1.31423

>  <SCORE.INTRA.POLAR.0>
-0.306219

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.76813

>  <SCORE.INTRA.VDW.0>
2.76053

>  <SCORE.INTRA.norm>
-0.418476

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
-0.0427184

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  214.4228  178.0242  243.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9206  178.7095  244.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8795  178.1407  245.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3844  179.9962  244.5625 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9260  180.8681  245.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2518  182.1698  245.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7131  183.1044  246.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8702  182.7365  247.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6131  181.4267  247.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1406  180.5010  246.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4865  183.9214  248.5688 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.5326  185.2045  247.9047 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7812  183.7458  249.8202 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0983  183.4587  248.8245 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0507  183.7994  247.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9361  182.8327  246.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3495  181.4125  247.0007 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.2909  180.4276  245.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5992  179.0396  246.2084 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7010  178.6604  247.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7884  179.6499  248.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4722  180.9821  248.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1922  180.3880  243.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1239  182.5049  249.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.5611  179.0014  246.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-175.26244603,8.83751747,76.13310681,-77.80420895,-64.98920190,-177.91584201
217.70616294,181.45785001,246.94586586,2.08779783,0.28427139,-2.66964057

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448654/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.7388

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-4.6612

>  <SCORE.INTRA.DIHEDRAL>
-1.49204

>  <SCORE.INTRA.DIHEDRAL.0>
3.3474

>  <SCORE.INTRA.POLAR>
-0.440359

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.41796

>  <SCORE.INTRA.VDW.0>
-1.24736

>  <SCORE.INTRA.norm>
-0.211873

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.306309

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000371

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  203.8066  213.6021  259.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8200  212.7098  259.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9307  213.0765  258.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0371  214.3340  257.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0181  215.2322  257.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9037  214.8632  258.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0532  214.7022  256.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0969  213.9582  256.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2022  215.9599  255.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1888  216.3423  254.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3532  217.5167  254.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5234  218.2539  254.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4858  217.7898  255.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3508  216.6649  255.8605 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
7.31490760,-173.07920025,201.89294557,215.34776072,256.69912945,-1.17813851
-0.58214068,-0.62443313

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448655/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87023

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-1.52977

>  <SCORE.INTRA.DIHEDRAL>
-5.74154

>  <SCORE.INTRA.DIHEDRAL.0>
6.23364

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.341

>  <SCORE.INTRA.VDW.0>
-0.705041

>  <SCORE.INTRA.norm>
-0.109269

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.419302

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009061

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  213.9539  193.3126  249.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1435  193.1932  247.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0493  193.0533  246.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1280  193.8889  245.8832 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8095  191.8957  246.7312 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3337  190.8428  245.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7722  190.5808  245.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4338  190.2696  247.2479 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.9628  191.5704  245.5578 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.3890  189.4713  245.2656 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.6775  191.2572  244.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9928  191.5787  244.1290 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.5057  190.2135  243.4190 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.9546  192.2727  243.7803 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.1610  189.6611  246.2594 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9640  189.0682  247.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2895  187.8383  247.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9822  187.2315  248.8470 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3527  187.8736  249.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0260  189.0787  249.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3219  189.6732  248.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7827  186.9268  246.2989 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.8078  191.9775  246.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1600  189.8078  246.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-115.07307090,103.39155142,-48.31908897,-55.03122236,52.32353376,67.29385565
103.79092504,214.02497324,190.35066804,246.50944414,-3.04223261,1.54829506
-2.24831173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448656/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.52722

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-10.8728

>  <SCORE.INTRA.DIHEDRAL>
-7.14606

>  <SCORE.INTRA.DIHEDRAL.0>
9.84586

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.29975

>  <SCORE.INTRA.VDW.0>
0.184183

>  <SCORE.INTRA.norm>
-0.494217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.0694192

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001944

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  202.4936  190.2635  245.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0331  190.0112  247.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8534  188.9768  247.5727 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5068  188.5648  248.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5503  189.0180  249.4473 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3417  187.4616  249.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4633  186.9515  248.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1459  185.6330  249.4922 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.9873  185.6938  250.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0730  186.7117  250.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9461  186.9233  251.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2311  186.2480  252.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7274  184.8081  252.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0296  184.7480  251.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0824  187.4675  247.5419 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2214  187.1161  246.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0359  185.6637  246.7474 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.7064  188.1827  246.0812 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1718  189.4161  246.2806 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9613  190.1583  245.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5465  191.5636  245.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2992  192.3495  244.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8602  193.6699  244.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7096  194.2222  245.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9520  193.4240  246.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3564  192.0883  246.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3094  195.5351  245.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3650  195.9082  246.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5872  194.4733  243.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5151  194.0432  242.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6525  188.2997  247.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6313  188.0833  245.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-175.69262882,1.17449256,6.20768911,175.91941417,10.24319380,-140.03330723
-178.89916822,63.39553113,140.00370235,204.32530373,189.31968869,247.57021069
1.48864942,0.75998276,-0.55554078

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448657/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.96301

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48

>  <SCORE.INTRA>
-11.437

>  <SCORE.INTRA.DIHEDRAL>
-5.79744

>  <SCORE.INTRA.DIHEDRAL.0>
12.8859

>  <SCORE.INTRA.POLAR>
-0.0926058

>  <SCORE.INTRA.POLAR.0>
-0.526216

>  <SCORE.INTRA.REPUL>
-0.719037

>  <SCORE.INTRA.REPUL.0>
0.719102

>  <SCORE.INTRA.VDW>
-4.62823

>  <SCORE.INTRA.VDW.0>
3.13465

>  <SCORE.INTRA.norm>
-0.381233

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.098767

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  203.2490  203.6316  250.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1162  203.8696  249.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1546  202.9387  249.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1848  205.1799  248.6630 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.6584  206.3822  249.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1498  206.2829  249.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3755  205.9474  248.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9908  205.4679  247.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4719  205.1911  247.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8979  206.2155  248.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2835  205.3323  249.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4543  204.4313  249.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-81.61970513,-67.24492793,-60.62202927,200.53717180,205.12221068,248.94804581
0.39726570,-0.13067279,2.42994552

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448658/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.47583

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.924168

>  <SCORE.INTRA.DIHEDRAL>
0.0835313

>  <SCORE.INTRA.DIHEDRAL.0>
0.738129

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.965934

>  <SCORE.INTRA.VDW.0>
0.799844

>  <SCORE.INTRA.norm>
-0.0840153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.588712

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001383

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  198.4401  199.9283  248.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9952  200.6786  247.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7826  201.3289  246.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1835  202.2690  245.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9922  203.4315  246.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2660  203.0616  246.8293 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0873  201.7866  247.7386 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.1727  201.8682  246.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3363  202.0760  249.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2251  202.7261  249.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1381  204.2939  247.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5676  199.5557  246.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1056  203.5583  249.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-69.29509252,-60.54845025,199.50367307,201.92720651,247.39397833,-2.75188678
-1.02900354,-1.18888280

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448659/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.59157

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-3.80843

>  <SCORE.INTRA.DIHEDRAL>
-6.02883

>  <SCORE.INTRA.DIHEDRAL.0>
7.57593

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.794019

>  <SCORE.INTRA.VDW.0>
-0.250792

>  <SCORE.INTRA.norm>
-0.317369

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.215964

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000715

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  206.6130  194.4315  241.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8476  193.7292  241.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9529  194.4809  241.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9388  195.6576  242.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1949  193.6461  241.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3090  192.5870  242.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4072  193.2177  244.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4440  193.3716  244.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1684  193.5918  244.5772 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1604  194.2137  245.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-1.02446271,-69.58224579,-61.39570076,-100.31556091,-179.47038889,209.27617956
193.91036603,243.14974679,2.31227619,0.41675303,-1.62770822

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448660/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.9375

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-1.4625

>  <SCORE.INTRA.DIHEDRAL>
0.519588

>  <SCORE.INTRA.DIHEDRAL.0>
2.19204

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.7223

>  <SCORE.INTRA.VDW.0>
4.32932

>  <SCORE.INTRA.norm>
-0.14625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.89375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 46  0  0  0  0  0  0  0  0999 V2000
  193.7728  217.9659  250.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6519  218.4387  251.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9859  217.9434  251.1825 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9227  218.3221  252.2041 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2592  217.8133  251.8288 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3387  218.6334  252.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5036  218.2385  252.1156 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9274  220.0207  252.7783 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.1935  220.1270  252.2008 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.7519  221.2288  252.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8770  221.5320  250.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7207  222.5559  250.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4676  223.3016  251.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3619  223.0352  252.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5238  222.0104  253.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0171  219.9129  254.2498 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0614  218.7172  254.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3457  217.6207  254.5228 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6619  219.0109  256.2884 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2431  220.3362  256.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9426  221.0191  257.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3392  220.8523  255.0452 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7918  218.1462  257.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3371  216.8603  257.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4018  215.9943  258.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9092  216.3956  259.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3768  217.6714  259.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3333  218.5429  258.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4487  216.5365  251.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1040  216.7898  249.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3839  215.4983  248.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1752  214.4904  249.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4578  214.1882  251.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2556  215.4706  251.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4975  217.8006  253.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9002  218.6329  254.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6736  218.1892  255.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0129  216.8931  256.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4998  216.0183  255.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6987  216.4603  253.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4758  221.8532  254.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
  8 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 41  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <CHROM.1>
179.99419922,-176.10667620,-102.39236316,117.37543086,55.44977711,-17.45004950
-1.10187521,198.34958954,218.51357297,253.62463735,1.36527709,-1.17594428
-1.69573697

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448661/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.735

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.31

>  <SCORE.INTRA>
-2.665

>  <SCORE.INTRA.DIHEDRAL>
-1.69775

>  <SCORE.INTRA.DIHEDRAL.0>
6.66534

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.81613

>  <SCORE.INTRA.VDW.0>
-7.13593

>  <SCORE.INTRA.norm>
-0.066625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.243375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  196.6369  226.4378  259.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0077  225.1078  259.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9302  224.1891  260.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3309  222.9270  260.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2452  222.0154  261.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5687  222.2129  262.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5699  220.7871  260.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3663  219.6651  261.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5976  218.6245  260.8426 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7891  218.6962  259.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7554  217.8668  259.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8066  217.9846  258.3406 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.7490  219.3839  257.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8418  220.3367  258.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7114  221.5390  257.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1299  219.7412  258.6878 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.1381  220.8349  259.1549 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.3991  220.7368  258.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7308  221.7740  257.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8956  221.6933  256.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7202  220.5798  256.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4080  219.5394  257.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2503  219.6174  258.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8386  220.5084  256.0264 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.0132  216.9372  257.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1514  215.9434  256.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7536  215.0755  255.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0443  215.4494  255.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5230  216.8409  256.4489 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.9208  219.4196  262.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3605  217.8982  261.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 14  1  1  0  0  0
 16 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
179.39674666,178.27568948,4.26497155,177.62527495,116.52665032,-119.44650158
194.13696118,220.02870809,258.61326180,0.78250649,0.60438606,0.89863321

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448662/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.53611

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-6.86389

>  <SCORE.INTRA.DIHEDRAL>
-14.5136

>  <SCORE.INTRA.DIHEDRAL.0>
15.542

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.392913

>  <SCORE.INTRA.VDW.0>
-2.44518

>  <SCORE.INTRA.norm>
-0.228796

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.151204

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000383

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  213.7364  193.4860  252.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7991  192.6083  251.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5342  192.6562  250.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1825  193.5582  249.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7199  193.3901  248.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7678  192.4007  247.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4219  191.6652  249.4556 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.1077  191.9891  246.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0175  192.5929  246.3056 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.5480  192.3183  245.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6047  193.3585  246.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6365  190.9954  246.0408 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1327  194.4374  250.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3995  194.3943  251.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1781  195.8378  248.8870 I   0  0  0  0  0  0  0  0  0  0  0  0
  212.4805  190.5505  246.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2466  190.6445  245.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
-87.18476366,213.49470773,194.00064668,248.99749212,0.09598185,0.80894460
1.81047895

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448663/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.48463

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.915368

>  <SCORE.INTRA.DIHEDRAL>
6.92546e-08

>  <SCORE.INTRA.DIHEDRAL.0>
0.8

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.915368

>  <SCORE.INTRA.VDW.0>
-0.0278221

>  <SCORE.INTRA.norm>
-0.0704129

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.421895

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002399

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  194.6866  213.0125  256.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3928  213.9432  255.5374 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9141  213.3905  254.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5441  215.2800  255.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1575  216.2520  255.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2218  217.6253  255.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7476  217.9863  256.8015 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8768  218.4565  254.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9503  219.3803  255.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-0.01565761,179.99418666,195.82787178,215.78250994,255.59747678,2.03684464
-1.03853359,-2.69555928

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448664/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.74729

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.652707

>  <SCORE.INTRA.DIHEDRAL>
-0.000281047

>  <SCORE.INTRA.DIHEDRAL.0>
0.000285125

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.652566

>  <SCORE.INTRA.VDW.0>
0.512339

>  <SCORE.INTRA.norm>
-0.0815883

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.718412

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.119795

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  169.9886  234.2500  270.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.3478  233.0210  270.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.5561  232.5727  269.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.3917  233.3359  268.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.0583  234.5698  268.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.8487  235.0211  269.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.0063  235.4895  266.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.6436  236.6148  266.9866 N   0  0  0  0  0  0  0  0  0  0  0  0
  169.4573  237.3921  265.8847 N   0  0  0  0  0  0  0  0  0  0  0  0
  170.1008  238.6196  265.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.8962  239.0451  266.5901 O   0  0  0  0  0  0  0  0  0  0  0  0
  169.7913  239.3436  264.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.9269  238.9419  263.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.8532  239.8758  262.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.6746  240.9602  262.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.5151  240.8526  264.1415 S   0  0  0  0  0  0  0  0  0  0  0  0
  167.5433  232.6846  267.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.0939  231.5577  267.3124 O   0  0  0  0  0  0  0  0  0  0  0  0
  167.4842  233.3158  265.9773 O   0  0  0  0  0  0  0  0  0  0  0  0
  168.8617  237.0728  265.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
  166.9749  232.7775  265.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-3.26375110,179.54358649,-178.99902421,1.08779609,174.75722117,169.23586622
236.46154930,266.42901229,-1.85842567,-0.92809475,-0.81182323

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448665/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.71109

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-7.68891

>  <SCORE.INTRA.DIHEDRAL>
-20.2819

>  <SCORE.INTRA.DIHEDRAL.0>
20.5819

>  <SCORE.INTRA.POLAR>
0.792923

>  <SCORE.INTRA.POLAR.0>
-0.792923

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.243907

>  <SCORE.INTRA.VDW.0>
0.378034

>  <SCORE.INTRA.norm>
-0.40468

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.0900572

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002248

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  218.1724  181.3222  250.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8893  180.4060  249.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2238  180.2400  249.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0869  180.9800  250.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3535  181.3698  251.9980 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1177  182.1731  251.5748 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.4181  182.7868  252.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7011  182.5700  253.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4125  183.6280  252.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1548  180.2421  253.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0330  179.5130  253.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1073  178.6354  254.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3093  178.4620  255.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4265  179.2347  254.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2945  180.1547  253.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1118  181.2571  253.5617 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4520  182.1617  252.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6955  183.3496  252.5783 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9253  184.0527  253.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.8798  181.5217  254.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
119.12402416,179.95330016,219.91526515,181.11625385,252.61397989,-2.55391684
-1.04647133,1.40733496

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448674/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.65803

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-0.74197

>  <SCORE.INTRA.DIHEDRAL>
-0.984182

>  <SCORE.INTRA.DIHEDRAL.0>
1.59052

>  <SCORE.INTRA.POLAR>
0.0258889

>  <SCORE.INTRA.POLAR.0>
-0.0258889

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.337901

>  <SCORE.INTRA.VDW.0>
-0.626298

>  <SCORE.INTRA.norm>
-0.0412205

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.314335

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000597

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  186.6708  225.8300  260.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5385  224.8380  261.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7842  223.5354  261.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6246  222.5293  262.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8104  222.6698  264.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5888  221.7433  264.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1841  220.6805  264.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0076  220.5194  262.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5931  219.4698  261.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3919  219.3613  260.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5956  220.3082  260.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0147  221.3250  260.6800 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2111  221.4502  262.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5988  218.2647  262.7057 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.7905  221.8892  266.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4709  221.1058  266.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1315  223.0263  266.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4034  223.8607  266.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2145  223.7338  264.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7559  224.9984  266.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8426  225.2041  268.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0507  225.7905  265.9979 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0818  225.4933  265.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.51005667,77.97445724,-0.41985178,-0.20658201,188.22850261,222.18662934
263.73136078,2.38246365,-1.04905331,1.41709977

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448675/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.33984

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-0.0601606

>  <SCORE.INTRA.DIHEDRAL>
-0.00738385

>  <SCORE.INTRA.DIHEDRAL.0>
0.725623

>  <SCORE.INTRA.POLAR>
7.06174e-05

>  <SCORE.INTRA.POLAR.0>
-0.290332

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0567088

>  <SCORE.INTRA.VDW.0>
-0.66317

>  <SCORE.INTRA.norm>
-0.00273457

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.379084

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002667

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 63 71  0  0  0  0  0  0  0  0999 V2000
  206.9943  205.0242  252.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0217  204.7217  251.8802 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.4728  205.1169  252.2388 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.1187  204.0524  253.1513 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.9711  202.6585  252.5132 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4750  202.3927  252.3533 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.9299  203.3549  251.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2337  201.0870  251.8521 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7016  200.6738  250.5111 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7519  199.1151  250.4062 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.3247  198.6389  250.4330 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.4955  199.2636  249.2903 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3580  200.6516  249.5471 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6024  201.3736  249.6152 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.0920  201.8273  248.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0436  202.8387  248.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3863  202.5520  248.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3775  203.4903  248.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0300  204.7722  248.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6796  205.1893  248.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6523  204.1986  248.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3295  204.6777  248.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9993  206.0380  249.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6320  206.4270  249.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3085  207.7802  249.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0257  208.2292  249.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0166  207.3079  249.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2896  205.9190  249.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6193  205.4913  249.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9736  204.0446  249.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1743  203.1544  249.7395 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2776  203.7401  249.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1710  204.9740  250.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2988  208.7564  249.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6373  208.4420  248.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4378  209.3254  248.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0089  207.0024  248.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3394  206.5788  248.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3818  207.5706  248.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7599  208.2900  249.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2142  208.2056  250.8744 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9052  209.2456  249.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1978  208.4295  249.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4146  207.3444  250.8577 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.3784  208.1427  252.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5313  206.2092  250.6825 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0915  206.7788  250.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9046  199.1428  247.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4728  197.2405  250.3248 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4981  197.0976  249.3361 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.3355  198.3035  249.3539 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0240  195.6715  249.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1975  195.3351  250.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8662  194.1359  249.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3779  193.2588  248.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2204  193.5771  248.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5546  194.7701  248.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6385  202.5953  251.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4790  204.4166  253.4200 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0717  203.6398  254.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4971  206.4297  252.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5865  202.7725  251.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.4035  207.0830  252.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 61  1  1  0  0  0
  4  5  1  0  0  0  0
  4 59  1  6  0  0  0
  5  6  1  0  0  0  0
  5 58  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 51  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  6  0  0  0
 12 13  1  0  0  0  0
 12 48  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 32  1  0  0  0  0
 22 23  2  0  0  0  0
 23 37  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  2  0  0  0  0
 44 47  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  1  0  0  0
 52 57  1  0  0  0  0
 52 53  2  0  0  0  0
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 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 58 62  1  0  0  0  0
 59 60  1  0  0  0  0
 61 63  1  0  0  0  0
M  END
>  <CHROM.1>
-77.07149529,168.44562340,60.97527285,-63.31096842,160.53277142,-65.06781136
107.17655060,-106.05288962,-4.51443421,-78.46692220,-49.46194554,-57.83500812
-97.77367704,208.76797762,203.51232844,250.08960073,1.49423035,-0.18432652
0.05412677

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448676/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.92932

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.268852

>  <SCORE.INTRA>
-22.3293

>  <SCORE.INTRA.DIHEDRAL>
-9.73482

>  <SCORE.INTRA.DIHEDRAL.0>
25.7011

>  <SCORE.INTRA.POLAR>
-0.925058

>  <SCORE.INTRA.POLAR.0>
-0.043722

>  <SCORE.INTRA.REPUL>
-0.417585

>  <SCORE.INTRA.REPUL.0>
0.417585

>  <SCORE.INTRA.VDW>
-12.2288

>  <SCORE.INTRA.VDW.0>
-0.688603

>  <SCORE.INTRA.norm>
-0.366054

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
61

>  <SCORE.norm>
-0.0972019

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000377

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  190.7748  203.2233  250.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9058  204.0919  250.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2169  203.7876  248.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7218  205.5876  250.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8006  206.6163  249.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6205  207.5077  249.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1728  206.4262  250.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4586  205.7770  251.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3464  205.2343  252.6920 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8805  203.9254  253.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1202  204.1970  254.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2439  204.7310  253.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8421  205.5918  252.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8743  206.1351  251.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5597  206.8220  250.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2389  206.9511  249.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2049  206.2021  251.6401 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5984  206.9731  252.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9461  206.2003  253.8452 N   0  3  0  0  0  0  0  0  0  0  0  0
  193.7314  206.2615  254.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6750  207.6096  253.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7213  205.7240  254.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  1  19   1
M  END
>  <CHROM.1>
176.41283668,116.97537509,-26.81424702,-68.30377370,-62.50606260,194.16146881
205.67964727,251.64581731,2.89172581,-0.27604350,-1.40592690

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448677/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.62442

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-3.77558

>  <SCORE.INTRA.DIHEDRAL>
-0.428806

>  <SCORE.INTRA.DIHEDRAL.0>
8.23078

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.56118

>  <SCORE.INTRA.VDW.0>
3.45648

>  <SCORE.INTRA.norm>
-0.179789

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.315449

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001584

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 45  0  0  0  0  0  0  0  0999 V2000
  208.4640  189.3231  248.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1389  189.1262  250.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9799  189.8713  251.1350 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0663  191.2680  251.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2806  191.8779  250.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3965  193.2675  250.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2942  194.0992  250.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0919  193.5167  251.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9907  192.1235  251.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3281  195.4974  250.5883 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4321  196.2517  250.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5778  195.8417  250.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1254  197.7340  250.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1484  198.4127  251.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0774  198.1827  252.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1618  197.4184  251.8214 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1979  198.9993  253.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1367  200.0407  253.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1817  200.8791  254.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3815  200.7342  255.5150 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4967  199.7124  255.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3556  198.8067  254.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3542  197.9033  254.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8708  198.2428  256.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5469  199.3692  256.4191 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2241  200.0297  257.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9255  201.1934  258.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6355  201.8538  259.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6443  201.3655  260.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9458  200.2111  259.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2324  199.5474  258.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8159  196.6723  254.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0839  202.0411  254.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0213  202.4770  253.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7534  203.6176  254.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3604  204.0234  255.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1200  203.0378  255.9309 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.1600  189.2834  252.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8223  189.1742  253.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8408  187.9091  252.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4544  196.0012  250.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 33 37  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <CHROM.1>
58.51361326,-113.83995996,-62.07040095,-2.21220041,82.88253203,-74.52788249
3.26916835,13.94249599,-1.57704448,-0.24750714,209.10932714,197.10509478
253.61961462,-1.61093309,0.91003121,0.50008869

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448678/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.72678

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385

>  <SCORE.INTRA>
-5.67322

>  <SCORE.INTRA.DIHEDRAL>
-5.96789

>  <SCORE.INTRA.DIHEDRAL.0>
10.5673

>  <SCORE.INTRA.POLAR>
-0.256531

>  <SCORE.INTRA.POLAR.0>
-0.253659

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.81707

>  <SCORE.INTRA.VDW.0>
2.54234

>  <SCORE.INTRA.norm>
-0.141831

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.243169

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000367

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  198.1485  210.1713  248.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7930  208.7135  248.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3112  207.8930  247.0315 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.1211  206.4904  247.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2338  208.6749  246.4612 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7610  208.0070  245.9541 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.4928  207.3715  244.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5068  207.5353  243.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1214  207.4218  242.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8236  207.7726  243.6862 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6067  208.2016  244.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2303  208.2053  246.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0144  207.4603  246.6647 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1978  205.9310  246.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8800  205.2617  247.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0418  203.8791  248.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5288  203.1243  247.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8514  203.7551  245.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6867  205.1400  245.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0223  208.9476  247.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1875  209.5903  246.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6360  209.4401  245.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8538  208.7329  244.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1461  210.6958  247.7946 Br  0  0  0  0  0  0  0  0  0  0  0  0
  201.2714  207.8036  242.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  6  3  1  1  0  0  0
  6 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 23  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
174.66382436,-179.01411818,-100.77097027,200.60534037,208.00439537,246.45649744
2.53832858,-0.17203443,-2.67592579

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448679/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09983

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-0.300174

>  <SCORE.INTRA.DIHEDRAL>
-0.0819103

>  <SCORE.INTRA.DIHEDRAL.0>
0.991936

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.259219

>  <SCORE.INTRA.VDW.0>
-2.79002

>  <SCORE.INTRA.norm>
-0.0125073

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.337493

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000346

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  226.5365  187.7275  246.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3142  188.6392  246.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5167  188.4979  245.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7465  187.1161  245.3127 P   0  0  0  0  0  0  0  0  0  0  0  0
  223.0135  186.5340  246.4690 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8630  187.4181  244.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8240  186.1204  244.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.4638  188.1298  245.4322 C   0  0  1  0  0  0  0  0  0  0  0  0
  228.7136  187.2212  245.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9484  186.4624  244.4248 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.5655  187.3693  246.3937 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.7415  188.0808  244.1454 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.4158  187.7654  243.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.3813  185.2978  244.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
  230.3663  186.8188  246.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.9852  188.7735  244.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.2283  187.1946  244.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <CHROM.1>
64.40804809,178.09204316,69.29323313,45.84800400,52.76158661,-171.68854016
114.29536239,63.06829504,-178.97148834,225.77006979,187.38466660,245.38042755
0.04956445,-0.00233580,1.09015023

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448680/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.42838

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-7.97162

>  <SCORE.INTRA.DIHEDRAL>
-6.17561

>  <SCORE.INTRA.DIHEDRAL.0>
8.13621

>  <SCORE.INTRA.POLAR>
-1.35846

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.265058

>  <SCORE.INTRA.VDW.0>
-0.8071

>  <SCORE.INTRA.norm>
-0.664301

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.285699

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.083591

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  190.1535  207.8853  256.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2703  207.0190  255.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6052  207.6208  255.6930 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1966  208.2295  254.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9455  207.2476  253.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2997  207.3790  256.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7960  206.6673  257.7620 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6646  208.0566  257.1339 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.0205  208.0642  258.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0474  207.5359  259.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1551  208.7745  259.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9816  209.4647  259.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2672  210.1231  260.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6938  210.0753  261.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8502  209.3721  261.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5740  208.7336  260.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0571  210.8880  259.9995 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.7235  210.9357  258.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4453  211.4401  260.9223 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.8155  207.4620  256.4042 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6355  208.2650  255.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5347  207.7309  254.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6675  206.2999  254.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9232  205.4953  255.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9189  206.0720  256.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2254  205.3122  257.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5131  208.7169  253.7534 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  1  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
>  <CHROM.1>
-102.30947284,-85.92718274,160.40796867,121.42534444,126.45641123,0.45345573
194.24166389,208.21533668,257.29352574,2.27508863,-0.11854538,1.21802612

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448681/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.54079

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-2.85921

>  <SCORE.INTRA.DIHEDRAL>
-0.884848

>  <SCORE.INTRA.DIHEDRAL.0>
7.41265

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.41679

>  <SCORE.INTRA.VDW.0>
-1.6105

>  <SCORE.INTRA.norm>
-0.105897

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.316325

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000739

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  193.8815  219.7041  259.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0033  218.6088  258.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1316  218.0063  257.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7011  216.8842  257.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4819  216.0979  256.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3049  216.9021  257.0305 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8835  218.0478  257.6981 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4082  216.0361  256.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0762  216.3714  256.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2199  215.4142  255.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6945  214.1434  255.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0177  213.8077  255.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8600  214.7444  256.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5342  212.8708  254.4200 Br  0  0  0  0  0  0  0  0  0  0  0  0
  190.2699  218.0683  256.3943 Br  0  0  0  0  0  0  0  0  0  0  0  0
  196.5165  218.3009  258.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4920  217.6054  257.7891 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8259  217.9750  258.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4881  216.8406  258.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1202  215.7989  258.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7398  214.7564  258.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7266  214.7527  260.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1046  215.7706  261.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4841  216.8142  260.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3247  213.7544  261.0172 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.0861  217.9427  258.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
177.99564616,-157.03527904,119.00722184,82.22255534,193.85340589,216.07128593
257.08641433,0.21554218,-0.37971435,0.28607143

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448690/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59496

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-4.80504

>  <SCORE.INTRA.DIHEDRAL>
-0.773782

>  <SCORE.INTRA.DIHEDRAL.0>
3.0274

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.41815

>  <SCORE.INTRA.VDW.0>
2.80428

>  <SCORE.INTRA.norm>
-0.192202

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.183798

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000063

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  213.1671  198.7297  241.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7202  198.5487  242.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4591  198.5050  243.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3266  198.9243  242.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0475  198.8338  242.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8867  198.4074  244.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9824  198.0256  245.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2747  197.9940  244.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4374  197.3383  245.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2879  196.8943  244.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6064  197.1283  246.6391 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7606  197.6958  247.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3555  199.2339  247.9289 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6782  199.4329  249.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1897  201.4574  249.6207 Hg  0  0  0  0  0  0  0  0  0  0  0  0
  212.3846  200.2118  247.9229 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0640  200.3765  246.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2707  200.9863  245.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0181  201.0350  244.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7447  196.4105  247.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9823  196.1969  248.2092 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6249  195.8911  246.1460 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.1440  200.1053  244.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  1  22  -1
M  END
>  <CHROM.1>
-12.94021502,-23.72684589,-49.71239677,-171.33430445,177.75079628,66.88834022
68.33026212,-176.47731827,69.32075765,211.32395214,199.65650380,247.12470412
1.09191646,0.85413414,-1.74485484

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448691/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34043

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.609091

>  <SCORE.INTRA>
-6.05957

>  <SCORE.INTRA.DIHEDRAL>
-0.538861

>  <SCORE.INTRA.DIHEDRAL.0>
5.79743

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.39014

>  <SCORE.INTRA.VDW.0>
-1.15261

>  <SCORE.INTRA.norm>
-0.275435

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.333656

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002262

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 44 49  0  0  0  0  0  0  0  0999 V2000
  198.6589  219.6181  262.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8926  218.5972  263.6562 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.7351  217.3183  263.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6689  219.1524  265.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7933  220.3850  265.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6702  221.6422  265.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8794  222.9437  264.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6014  223.2198  263.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6743  222.1486  262.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4829  222.2220  261.2564 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.8164  223.5122  260.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8558  222.0638  260.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5943  220.9759  260.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2817  220.8343  259.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3582  219.6222  259.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9922  219.7238  259.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3416  220.9542  260.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0889  221.0141  260.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4401  219.8484  261.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0389  218.6190  260.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3050  218.5511  260.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8702  217.1962  259.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3734  217.1650  259.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0474  215.9881  260.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4240  215.9006  260.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1233  216.9578  259.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4541  218.1301  259.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0798  218.2879  259.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5287  218.3445  262.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6600  217.3191  263.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3133  217.0422  263.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2966  218.1472  263.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6885  219.4893  263.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7730  220.4647  263.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4369  220.1325  264.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0125  218.8330  263.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9317  217.8347  263.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4272  216.4517  263.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4327  215.3631  263.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9698  214.0716  263.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8634  213.0339  263.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2273  213.2624  263.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6947  214.5304  263.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8125  215.6165  263.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 44  1  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 44  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  CHG  2   2   1  10   1
M  END
>  <CHROM.1>
64.09761823,179.53820770,-92.20195273,166.44195368,-84.60951712,65.27040785
-172.09150701,-63.34216928,-179.37580797,-178.05152671,60.29788162,-177.84676481
-81.10031631,194.24768293,218.76938426,262.20406745,-0.80821381,0.48140262
2.86177218

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448692/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.8454

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.418182

>  <SCORE.INTRA>
-6.55462

>  <SCORE.INTRA.DIHEDRAL>
6.90068

>  <SCORE.INTRA.DIHEDRAL.0>
1.28643

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.005

>  <SCORE.INTRA.VDW.0>
6.30814

>  <SCORE.INTRA.norm>
-0.148969

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.269213

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.391785

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  185.8784  220.3684  251.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3506  219.8982  251.5584 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.1713  221.1644  251.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6150  220.8160  251.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0073  220.7923  250.0897 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.0320  219.8170  249.3344 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.7176  219.2542  250.1452 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6408  217.7509  250.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2152  217.5848  251.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6504  218.7810  252.6597 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.5763  219.1869  253.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4464  219.5443  254.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6894  220.0304  255.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6857  220.4296  255.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4466  218.3491  253.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7560  218.8080  248.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2275  219.1107  248.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0453  219.5300  249.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4939  220.4779  250.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3178  221.0818  251.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5566  220.5611  251.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0823  219.5397  250.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3621  219.0732  249.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2962  219.1291  251.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9348  218.0615  250.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6734  217.6427  253.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  1  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 15  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-59.44220564,176.80475719,11.74103475,178.10609214,190.27629990,219.53296555
251.32135267,2.87104193,0.03834088,1.47040248

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448693/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.40176

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-0.998242

>  <SCORE.INTRA.DIHEDRAL>
-1.30239

>  <SCORE.INTRA.DIHEDRAL.0>
1.34892

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.347046

>  <SCORE.INTRA.VDW.0>
0.670696

>  <SCORE.INTRA.norm>
-0.0399297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.29607

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002547

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  215.5372  186.8482  245.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4906  185.8199  244.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9203  184.5071  244.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6999  184.4967  243.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6674  185.4508  244.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2136  186.8069  244.5259 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4544  187.8830  244.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4112  187.7232  243.4339 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8982  189.2880  244.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8633  189.6276  245.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2948  190.9496  245.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7056  191.9508  244.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6783  191.6349  243.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2787  190.3061  243.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-17.39162841,214.44906068,187.96745374,244.36835456,-1.39118445,-0.43752659
0.07686593

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448694/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64552

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.754482

>  <SCORE.INTRA.DIHEDRAL>
-4.13322

>  <SCORE.INTRA.DIHEDRAL.0>
5.01731

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.31213

>  <SCORE.INTRA.VDW.0>
-0.251715

>  <SCORE.INTRA.norm>
-0.0538915

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.403251

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.504734

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  418.9429   68.2373   26.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
  417.9353   68.0960   25.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
  416.6533   68.0161   26.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
  415.7335   68.8642   25.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  414.4016   68.9047   25.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
  413.9650   68.0589   26.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
  414.8722   67.1395   27.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
  416.2146   67.1375   27.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
  412.6541   68.1984   27.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
  411.5721   68.9285   26.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  410.5226   68.7600   27.7456 N   0  0  0  0  0  0  0  0  0  0  0  0
  410.8625   67.9396   28.7789 N   0  0  0  0  0  0  0  0  0  0  0  0
  412.1190   67.5971   28.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  412.9926   66.6514   29.7858 S   0  0  0  0  0  0  0  0  0  0  0  0
  413.6603   67.9290   30.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
  414.6615   68.8216   30.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
  415.8666   68.6941   30.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
  414.0660   69.7516   29.3342 N   0  0  0  0  0  0  0  0  0  0  0  0
  414.7252   70.6405   28.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
  413.9364   71.5577   27.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  414.5276   72.4932   26.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
  415.9102   72.5083   26.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
  416.6983   71.5762   27.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
  416.1075   70.6430   28.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  411.5149   69.6526   25.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
  411.2196   71.0311   25.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
  411.0798   71.7398   24.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  411.3137   71.1052   23.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  411.6783   69.7608   23.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  411.7671   69.0330   24.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  412.1958   67.1870   24.2474 Br  0  0  0  0  0  0  0  0  0  0  0  0
  413.0741   69.9288   29.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
130.51377200,14.46602500,-122.37074008,84.59859570,-65.13036578,-104.18571783
-176.41812364,413.66922467,68.85528638,26.78645609,-0.69336227,-0.35465952
-1.20667394

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448695/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.625

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.77505

>  <SCORE.INTRA.DIHEDRAL>
3.56476

>  <SCORE.INTRA.DIHEDRAL.0>
14.9379

>  <SCORE.INTRA.POLAR>
0.724879

>  <SCORE.INTRA.POLAR.0>
-0.724879

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.02202

>  <SCORE.INTRA.VDW.0>
-2.39177

>  <SCORE.INTRA.norm>
-0.0572596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.34274

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  206.4753  192.5728  251.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4015  193.6329  251.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3329  194.2956  249.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6736  195.6434  250.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6908  196.4280  248.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3996  195.8703  247.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0225  194.5271  247.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0003  193.7382  248.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4779  196.6192  246.4235 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6141  197.2924  246.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7349  198.5137  245.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6189  196.4199  245.6249 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0165  195.3743  246.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5704  195.6663  247.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8210  194.6379  248.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5609  193.3062  248.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0743  193.0075  247.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8042  194.0367  246.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8088  192.3981  249.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8439  191.3672  249.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8654  197.2995  248.2356 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.8187  196.4033  245.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3755  196.8692  245.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
148.10175732,55.64531012,-109.80392183,-52.51717931,-62.43071359,137.22656927
208.98218272,195.03866652,248.16744352,1.80401232,-0.40698491,2.55478395

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448697/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4369

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-5.9631

>  <SCORE.INTRA.DIHEDRAL>
2.86948

>  <SCORE.INTRA.DIHEDRAL.0>
2.6459

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.39784

>  <SCORE.INTRA.VDW.0>
3.74202

>  <SCORE.INTRA.norm>
-0.283957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.2589

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000881

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  184.9983  216.3114  267.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7610  217.6860  267.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6675  218.5032  266.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2077  219.7149  266.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5403  219.6259  266.3304 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8793  218.3621  266.7562 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5705  220.9985  266.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0148  218.1325  267.2422 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.4411  218.0208  265.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0425  216.9949  268.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.2212  219.4331  268.0396 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.7773  219.2240  268.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1012  220.4328  268.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8388  220.9338  270.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2795  221.2623  269.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0066  220.0807  269.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7670  219.9655  271.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3764  218.8084  271.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.1942  220.4889  272.5438 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.2748  219.6807  273.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6990  219.1586  274.0640 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.7038  218.1578  275.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3657  218.5220  272.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8564  217.3570  272.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5236  216.7478  271.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7062  217.2955  270.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2173  218.4572  271.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5501  219.0657  272.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6037  221.4140  272.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-108.11551265,177.65480107,12.82644171,98.49798967,-171.85912836,-64.34656070
182.20690725,218.86869821,269.54878912,-1.07645723,-0.49818369,1.73129778

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448698/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.01277

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-4.38723

>  <SCORE.INTRA.DIHEDRAL>
-0.141891

>  <SCORE.INTRA.DIHEDRAL.0>
4.36272

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.31629

>  <SCORE.INTRA.VDW.0>
-2.27051

>  <SCORE.INTRA.norm>
-0.156687

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.250456

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001697

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  197.5379  221.4752  252.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0330  220.1681  252.2516 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9424  219.1944  252.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6494  220.3028  250.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8331  219.3476  250.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4741  217.9168  250.7752 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7682  217.2185  249.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3303  215.9852  249.8780 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6876  215.6231  248.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6024  216.6259  247.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3805  218.0338  248.3386 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.9714  216.4275  246.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4338  215.1655  246.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5199  214.1324  247.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1331  214.3610  248.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0402  212.8609  246.9827 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1838  212.3002  245.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7326  217.3399  252.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0876  218.0701  252.9601 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5806  215.8050  252.2866 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.1543  215.5386  252.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9629  216.0866  254.1166 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0259  215.8170  254.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8790  216.0973  256.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9111  215.7878  257.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0739  215.1699  256.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2300  214.9160  255.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2256  215.2876  254.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4883  215.1139  253.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  1  0  0  0
 20 29  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
147.66867631,57.98449047,77.57089705,-174.94897507,38.22952116,-91.83911596
198.49026613,216.58244295,251.15731739,0.15860258,-1.23201359,-0.03576047

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448699/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.73831

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.393103

>  <SCORE.INTRA>
-5.66169

>  <SCORE.INTRA.DIHEDRAL>
-5.48912

>  <SCORE.INTRA.DIHEDRAL.0>
11.5639

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.91713

>  <SCORE.INTRA.VDW.0>
1.52038

>  <SCORE.INTRA.norm>
-0.195231

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.197873

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  206.3992  205.4915  244.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3427  205.7748  246.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6899  204.6651  246.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7054  206.0373  246.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7688  207.0589  247.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9460  206.6595  248.8502 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4696  205.7340  249.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7227  205.4598  250.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1517  204.5742  251.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3831  203.9258  251.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1370  204.1535  250.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6849  205.0517  249.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9196  202.9957  252.8262 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.2442  202.7747  253.8426 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0264  202.4837  252.6027 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.3344  204.4000  253.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0877  205.0093  253.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5987  205.8905  252.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4219  206.1365  251.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9656  206.9278  250.1922 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6439  207.1875  249.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8290  208.1293  247.8751 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.3506  206.5051  252.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5872  206.2522  253.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0779  205.3836  254.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3255  204.7684  254.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3893  206.9122  253.6708 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3138  206.2537  254.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6405  203.7369  253.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
147.46983246,57.64485881,82.80382408,147.70393110,205.93364865,205.54435750
250.71928397,1.06364444,0.47045867,-1.23242385

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448700/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.13499

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-1.26501

>  <SCORE.INTRA.DIHEDRAL>
2.52431

>  <SCORE.INTRA.DIHEDRAL.0>
2.53753

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.52716

>  <SCORE.INTRA.VDW.0>
1.99743

>  <SCORE.INTRA.norm>
-0.0451789

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.290535

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  208.4501  203.4801  237.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9650  202.3033  237.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6563  202.7281  238.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4815  201.8705  239.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5936  200.5449  239.6608 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3646  200.1723  240.9504 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2317  201.2799  241.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2313  202.3857  240.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2900  201.2188  243.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6352  201.9902  243.9117 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1534  200.2631  243.7313 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4955  200.0879  245.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3312  199.0137  245.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7574  198.8492  246.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3423  199.7539  247.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4928  200.7995  247.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0684  200.9614  246.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7642  199.6171  249.0199 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.8837  197.8739  244.2890 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.3024  198.7867  241.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6333  198.3327  242.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6919  196.9839  242.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4040  196.0822  241.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0207  196.5177  240.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9539  197.8624  240.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6978  199.7196  243.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
114.02799068,-157.44028478,-147.80242899,176.24269551,210.02516068,199.87998925
242.91898037,2.94262084,1.30832924,-2.65685543

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448701/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.4941

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.9059

>  <SCORE.INTRA.DIHEDRAL>
-2.02428

>  <SCORE.INTRA.DIHEDRAL.0>
9.40006

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.893761

>  <SCORE.INTRA.VDW.0>
-1.73145

>  <SCORE.INTRA.norm>
-0.076236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.299764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000295

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  188.9984  214.1647  260.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2869  213.9147  259.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5079  214.1496  260.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8202  213.9096  259.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0617  214.1409  260.7396 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4041  213.7638  260.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6177  213.8446  261.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0875  215.8549  261.2755 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-179.80332055,179.97047443,173.30809007,-173.44441973,193.13976856,214.47572644
260.60707355,3.02674118,0.06895065,-2.65767951

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448702/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.76129

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-0.638712

>  <SCORE.INTRA.DIHEDRAL>
0.309437

>  <SCORE.INTRA.DIHEDRAL.0>
0.150585

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.79343

>  <SCORE.INTRA.VDW.0>
0.483828

>  <SCORE.INTRA.norm>
-0.079839

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.09516

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051280

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 50 51  0  0  0  0  0  0  0  0999 V2000
  207.6136  186.4536  226.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6214  185.3532  227.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0975  185.9196  227.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5667  186.7831  228.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7251  186.2431  230.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1400  187.1631  231.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5361  186.5536  232.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8933  187.3119  233.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3043  186.6433  234.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8003  187.4653  236.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1853  186.7844  237.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7788  187.6624  238.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2826  187.0546  239.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4685  185.8127  240.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1157  185.0609  241.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4156  183.7314  241.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2392  182.9841  240.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6791  181.7458  240.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3167  181.2374  241.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4125  181.0701  239.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7394  181.6825  237.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5385  180.9804  236.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0145  179.7259  236.8074 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6822  179.1158  237.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8797  179.7724  239.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9434  181.5554  235.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3725  182.8428  235.4065 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8070  183.3978  234.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8239  182.6406  233.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3829  181.3128  233.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9355  180.7660  234.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3527  180.4851  231.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0837  179.2932  231.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6937  181.0354  230.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6783  180.3314  229.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9219  181.2254  228.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8517  182.3053  228.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0233  183.3420  229.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6970  184.0372  229.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7885  184.8499  230.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4143  185.3805  231.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4647  186.0121  232.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5492  184.9255  233.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6304  185.5580  234.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6093  184.4733  236.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6435  185.1070  237.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4212  184.0409  238.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2006  184.6983  239.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9454  183.6367  240.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7126  184.2955  242.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
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 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
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 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
>  <CHROM.1>
-63.43409816,-58.82421814,-178.41303472,-173.25930672,-174.46409417,179.00237472
173.90958590,178.85824089,175.48819495,-174.42911020,-72.09908018,170.13384622
-173.76321998,49.24787749,177.77198229,-0.74850383,0.56327912,-7.85699288
173.11937649,-179.43818341,172.31265974,-60.36104969,70.94624524,-155.67954203
168.09048045,-171.95524846,171.55687241,-74.03158832,178.76167548,175.75823179
-178.11673576,171.89871017,-169.67965437,178.71299622,-179.48470148,202.90522808
183.79902274,234.81159054,-0.72054716,1.32310739,0.81266166

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448703/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.1164

>  <SCORE.INTER>
40.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
35

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.808

>  <SCORE.INTRA>
-25.2836

>  <SCORE.INTRA.DIHEDRAL>
-36.805

>  <SCORE.INTRA.DIHEDRAL.0>
45.3357

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.88112

>  <SCORE.INTRA.VDW.0>
-4.6348

>  <SCORE.INTRA.norm>
-0.505672

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
50

>  <SCORE.norm>
0.302328

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.296906

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  210.2957  193.3674  243.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9174  192.4583  244.1067 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.4247  192.3088  243.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9354  191.0657  243.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3105  190.8466  243.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1948  191.9034  243.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7043  193.1535  243.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3334  193.3505  244.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6780  189.5728  242.9766 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6032  188.9493  243.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5886  192.9087  245.5624 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1194  192.7535  245.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5960  191.3313  245.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3613  190.6226  246.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4498  190.8994  244.6221 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4021  192.1120  246.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1370  192.6001  247.4185 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3100  190.7739  246.3116 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1087  189.9579  247.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1344  189.9838  244.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  1  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-110.69953271,68.59454346,-124.65657883,58.05306716,124.35163884,108.36212932
178.70752172,176.76043189,211.86299187,191.56504918,244.91152237,2.98606862
-0.40609338,2.46217364

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448705/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.51302

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-2.88698

>  <SCORE.INTRA.DIHEDRAL>
-0.570196

>  <SCORE.INTRA.DIHEDRAL.0>
6.91035

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.60188

>  <SCORE.INTRA.VDW.0>
2.50201

>  <SCORE.INTRA.norm>
-0.151946

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.500685

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004955

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 45  0  0  0  0  0  0  0  0999 V2000
  214.3256  187.6171  255.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0802  187.2256  257.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0144  186.1989  256.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7872  185.7193  257.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6700  186.0835  259.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6504  184.6562  257.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5494  183.8726  258.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1462  182.8572  257.3538 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6879  182.8331  256.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6126  184.1305  255.7724 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.0431  181.8604  255.2404 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2151  181.1819  254.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3867  181.3059  253.0290 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5454  180.6581  252.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5017  179.8886  252.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5743  179.1927  251.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7093  179.6034  250.2817 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1417  179.7285  249.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7753  180.8469  250.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7341  178.6083  249.2975 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.3977  177.3278  249.2040 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3892  178.7072  249.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7973  179.3829  247.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3951  179.7699  254.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2541  180.4064  254.8812 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4856  178.8496  254.5893 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2375  179.3779  255.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5738  180.3963  256.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1649  181.7242  256.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5084  182.6660  257.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2915  182.2818  258.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6955  180.9350  258.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3244  180.0133  257.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4749  180.5853  259.3611 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7973  180.1264  259.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6533  183.3142  258.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3407  183.2054  260.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1578  183.9946  256.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7634  184.2850  257.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9136  183.9564  259.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8239  181.2762  255.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2787  178.0746  253.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 25  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 38  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <CHROM.1>
-179.92333409,3.16832640,-177.58830955,137.15267336,115.58581499,-74.59474177
-102.80678284,-57.18746868,120.09067842,65.76679075,125.68009310,-115.40865543
216.18105121,181.86395323,255.09068799,1.27816484,-1.23941423,0.71401465

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448722/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.264

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435

>  <SCORE.INTRA>
-12.136

>  <SCORE.INTRA.DIHEDRAL>
2.00863

>  <SCORE.INTRA.DIHEDRAL.0>
11.3877

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-13.1403

>  <SCORE.INTRA.VDW.0>
5.94156

>  <SCORE.INTRA.norm>
-0.3034

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.1316

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000197

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  200.7985  224.0339  249.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6538  223.0688  249.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0962  222.7620  248.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2364  222.4577  250.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8926  221.8997  251.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5002  221.1669  252.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1869  221.3133  254.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8021  220.5250  255.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7504  219.6278  255.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1177  219.5630  253.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4681  220.3152  252.7572 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
-128.87432658,117.36076671,198.79060844,221.55597485,252.10537421,-1.18416009
0.69444592,1.86301592

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448723/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.3968

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-0.00320372

>  <SCORE.INTRA.DIHEDRAL>
0

>  <SCORE.INTRA.DIHEDRAL.0>
0

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00320372

>  <SCORE.INTRA.VDW.0>
-0.581613

>  <SCORE.INTRA.norm>
-0.000291247

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.672436

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009133

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 65 67  0  0  0  0  0  0  0  0999 V2000
  197.4336  222.3038  247.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7549  220.9419  248.1039 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1868  220.0408  246.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2246  219.3812  246.9868 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3141  219.9989  245.8893 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5198  219.1767  244.6938 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7924  217.6985  245.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8466  217.1197  246.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2244  215.7216  246.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7561  214.9104  245.7989 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0001  215.4138  247.8658 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3498  214.1771  248.3519 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.8991  214.0261  247.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0352  215.2748  248.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5946  215.0118  247.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0653  215.4281  246.6399 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9088  214.3671  248.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0467  212.7964  248.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8215  211.9122  249.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8742  212.5883  247.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2910  219.3621  243.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3744  219.7346  242.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1077  219.0547  244.3573 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9681  220.2858  249.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0007  218.8849  249.6577 P   0  0  1  0  0  0  0  0  0  0  0  0
  197.0539  217.9829  248.9984 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4584  218.9206  251.2213 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0332  217.4840  249.9647 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8154  217.7982  250.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1722  216.4719  250.9280 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.9490  215.6275  251.9756 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2292  214.5058  252.8088 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2765  213.7107  253.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6826  212.5476  254.3636 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6345  211.2253  253.6726 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.8592  211.2564  252.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7773  209.8501  251.5701 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4107  209.2299  251.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1050  209.1831  253.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2825  210.5472  254.0015 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1508  210.3778  255.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5834  211.5960  256.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2783  212.6082  255.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6048  213.6631  256.5309 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2882  213.7810  257.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6585  214.7439  258.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5716  212.7635  258.3949 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2173  211.6400  257.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6459  210.7053  258.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0376  209.8917  250.1722 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2381  214.9644  253.7291 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0545  215.0289  251.2626 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8100  216.6559  251.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5369  220.6594  245.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9863  216.1862  248.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4174  214.1375  249.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8847  213.3456  246.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3129  219.2020  243.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3029  219.4135  251.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1661  214.4189  256.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3564  212.8116  259.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8639  210.3839  250.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5901  215.5295  253.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5218  215.7641  250.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.3861  215.7731  251.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 54  1  0  0  0  0
  6  7  1  1  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 55  1  0  0  0  0
 12 13  1  6  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 58  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  6  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  6  0  0  0
 32 33  1  1  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
 34 43  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 50  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 48  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 60  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 61  1  0  0  0  0
 48 49  2  0  0  0  0
 50 62  1  0  0  0  0
 51 63  1  0  0  0  0
 52 64  1  0  0  0  0
 53 65  1  0  0  0  0
M  END
>  <CHROM.1>
84.82906153,169.39121795,52.57550314,45.41425665,124.24113584,-172.72606517
-32.56817661,133.00550968,-60.93665224,-48.55502969,149.87311459,-171.96684361
-106.89675035,-0.37055807,-4.01659026,177.46058868,89.38239819,-22.91582563
-7.72832732,-173.78131867,65.39911791,158.36434965,165.49316060,172.83761260
52.94201290,-174.86566345,53.19452711,89.87931939,50.88164987,194.45255845
215.24482838,250.40998059,-0.51871727,1.24877934,1.19035685

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448724/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.37964

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.498113

>  <SCORE.INTRA>
-23.0204

>  <SCORE.INTRA.DIHEDRAL>
-4.42174

>  <SCORE.INTRA.DIHEDRAL.0>
27.6609

>  <SCORE.INTRA.POLAR>
-3.19594

>  <SCORE.INTRA.POLAR.0>
-0.367591

>  <SCORE.INTRA.REPUL>
-0.00137238

>  <SCORE.INTRA.REPUL.0>
0.00137238

>  <SCORE.INTRA.VDW>
-9.93642

>  <SCORE.INTRA.VDW.0>
-0.219352

>  <SCORE.INTRA.norm>
-0.434346

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
0.0637667

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.039196

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  215.9910  182.2454  249.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4073  181.1240  250.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8853  179.8521  250.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6214  179.1639  251.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5728  180.0682  251.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4611  181.2484  251.0323 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4996  179.7317  252.5282 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8270  178.5889  253.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7936  178.3932  254.0826 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7509  179.6502  254.4712 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.9330  179.1194  255.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.9157  180.4602  253.2788 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9959  180.7364  255.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6855  181.4837  256.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9486  182.2821  257.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5497  182.3725  257.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8797  181.5753  256.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5919  180.7826  255.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8192  183.0412  258.4721 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0288  177.5193  252.9379 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7731  179.1619  249.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1364  180.5103  252.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1140  182.8464  259.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7139  184.0390  258.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.5077  176.6372  252.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.2997  177.7121  252.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <CHROM.1>
2.77025016,134.96631220,-164.65922086,149.19239478,-43.73022298,218.57389080
180.33403368,253.67462450,2.19985903,0.62316580,-2.16049019

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448725/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.19388

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-2.20612

>  <SCORE.INTRA.DIHEDRAL>
-0.17975

>  <SCORE.INTRA.DIHEDRAL.0>
2.79455

>  <SCORE.INTRA.POLAR>
-0.562952

>  <SCORE.INTRA.POLAR.0>
-0.519967

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.202205

>  <SCORE.INTRA.VDW.0>
-2.01889

>  <SCORE.INTRA.norm>
-0.105053

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.390185

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  216.0288  185.9429  253.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6183  186.3982  251.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5687  186.7646  250.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9437  186.6794  251.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3408  186.2398  252.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3885  185.8699  253.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9593  186.9410  250.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3378  185.7452  249.1477 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.0722  184.6766  249.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4318  184.7932  251.1398 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1596  183.5033  249.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4739  182.3126  249.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2413  181.3622  249.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4205  180.0994  249.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8473  179.8001  251.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1082  180.7689  251.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8843  182.0157  251.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5806  180.3986  252.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5892  181.1826  253.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4326  181.5574  252.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4359  182.2839  253.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6167  182.6963  254.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8012  182.3922  255.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7894  181.6368  254.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1990  185.0640  248.5280 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3709  184.2045  249.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3960  183.8390  250.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4103  183.7072  248.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3060  182.9064  248.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5418  182.5841  247.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9177  183.0395  246.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0532  183.8450  245.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7750  184.1819  246.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9569  185.0295  247.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5832  185.5618  246.2780 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 34  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-85.99821402,-65.80083387,-6.79587619,-76.50895837,-163.73739119,-146.07401252
-164.30370925,51.77944972,218.13460059,183.61092446,250.48015830,1.07539649
-0.92449358,1.61142103

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448726/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.19519

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.382857

>  <SCORE.INTRA>
-4.20481

>  <SCORE.INTRA.DIHEDRAL>
-5.57324

>  <SCORE.INTRA.DIHEDRAL.0>
15.8972

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.4182

>  <SCORE.INTRA.VDW.0>
-3.57656

>  <SCORE.INTRA.norm>
-0.120138

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.26272

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002663

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  204.1757  196.4008  250.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8757  195.7574  249.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3380  194.4435  248.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8445  193.6999  247.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6337  192.3217  247.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0714  191.4531  246.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7041  191.9737  245.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9061  193.3434  245.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4758  194.2113  246.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1381  191.1661  244.8564 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9321  190.2453  245.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.73631623,160.99105687,-0.55171653,205.10970915,193.49314320,247.44688411
-2.08677810,-1.07176065,-2.83188044

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448727/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.34408

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.0559171

>  <SCORE.INTRA.DIHEDRAL>
-0.701692

>  <SCORE.INTRA.DIHEDRAL.0>
1.29411

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.294929

>  <SCORE.INTRA.VDW.0>
1.00239

>  <SCORE.INTRA.norm>
-0.00559171

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.734408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001996

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  202.2733  201.6517  244.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1181  202.7585  244.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6265  203.6836  243.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5160  202.8266  244.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9648  202.0628  245.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1498  203.9224  244.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4788  204.1192  244.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1287  205.3599  243.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1712  206.7973  244.4360 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-1.49957915,176.81333729,-179.97946411,60.84857115,204.94113527,204.12739669
244.34296344,2.31644491,0.31234034,2.85873984

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448728/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.47504

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-6.92496

>  <SCORE.INTRA.DIHEDRAL>
-14.439

>  <SCORE.INTRA.DIHEDRAL.0>
14.5735

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.294532

>  <SCORE.INTRA.VDW.0>
1.50017

>  <SCORE.INTRA.norm>
-0.769441

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.275004

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022999

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  189.3061  222.5381  256.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9367  223.8960  255.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6626  224.4325  256.3947 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6842  224.5200  257.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0195  223.1881  258.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3643  222.6176  258.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5867  223.4487  258.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7484  223.3949  259.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8696  222.0402  260.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7658  221.2502  259.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5529  221.2859  258.5303 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4838  223.6784  255.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1477  223.9374  254.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6430  225.3573  254.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7675  226.3434  254.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6737  226.5381  253.7377 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7670  227.0819  255.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6910  227.0147  256.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7315  227.7453  257.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8458  228.5263  258.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9207  228.5995  257.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8836  227.8782  256.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8834  229.2196  259.3294 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-74.01974285,-68.98640954,68.25882607,74.86553012,-7.98073164,187.99057487
224.94944888,257.21972692,0.35169725,1.02221851,-2.45527939

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448729/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.5391

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-2.8609

>  <SCORE.INTRA.DIHEDRAL>
-0.482156

>  <SCORE.INTRA.DIHEDRAL.0>
4.13349

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.61982

>  <SCORE.INTRA.VDW.0>
1.26934

>  <SCORE.INTRA.norm>
-0.124387

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.327787

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003415

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  196.1451  223.2530  257.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4812  222.1026  256.5953 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.1933  221.5774  256.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1286  221.4872  257.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3576  222.5378  255.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6551  221.3449  255.0282 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.0679  220.3347  255.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6570  219.0668  256.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0965  218.1257  256.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9485  218.4071  257.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3553  219.6634  257.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9117  220.6209  256.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6716  216.9208  257.1115 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.6404  221.8613  254.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1900  221.1288  253.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-179.03138058,59.08994537,-108.86328856,179.10909074,193.48423757,220.34838040
256.40149717,-1.08495174,0.44933338,2.66862892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448730/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.08849

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-3.31151

>  <SCORE.INTRA.DIHEDRAL>
-5.71694

>  <SCORE.INTRA.DIHEDRAL.0>
6.55902

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.453042

>  <SCORE.INTRA.VDW.0>
-1.06134

>  <SCORE.INTRA.norm>
-0.275959

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.424041

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  214.6675  184.4640  246.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9317  182.7222  246.3073 P   0  0  0  0  0  0  0  0  0  0  0  0
  214.0075  181.7956  247.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8583  182.6310  244.6999 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4927  182.4518  246.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6965  185.5526  245.6237 P   0  0  0  0  0  0  0  0  0  0  0  0
  215.3298  186.7811  246.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0927  184.9680  246.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6692  186.5817  244.6298 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9879  182.8925  244.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.0083  183.2592  246.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7837  185.6672  246.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.0097  187.0746  244.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <CHROM.1>
-172.85726547,-170.36426468,-62.35294396,-30.79318977,-149.57321888,79.83200540
215.51601938,184.21181948,245.98730179,1.91166889,-0.36511883,3.07528752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448731/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
-0.389119

>  <SCORE.INTRA.POLAR.0>
-0.601468

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.345459

>  <SCORE.INTRA.VDW.0>
-0.674108

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.210207

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  198.9153  211.4979  258.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1193  212.3555  259.5645 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3006  213.7134  259.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3389  214.1066  260.6151 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5023  213.0493  260.8769 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9647  212.0150  260.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2468  210.4407  260.1904 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.1344  210.5781  258.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8531  211.0117  257.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2260  210.2216  256.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1238  212.4689  257.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4142  213.4095  258.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6480  214.7824  257.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5945  215.2349  256.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3009  214.3150  256.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0617  212.9468  256.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7737  212.1114  255.5735 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.2657  214.6357  259.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2139  214.2590  258.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0188  215.2143  257.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8965  216.5726  257.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0420  216.9549  258.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2319  215.9946  259.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9767  217.7637  257.0872 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.8338  219.0028  257.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2678  217.1232  256.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3827  218.0119  255.5293 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1423  218.7871  255.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9392  217.8560  255.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1498  216.8728  254.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3379  216.0994  254.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5795  216.9877  254.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-1.40391153,-90.45017920,55.03462539,98.06396891,-16.63834587,-167.04068709
73.17462925,198.67542080,214.55635230,257.60953735,-2.61105634,-0.81253497
-1.29381274

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448732/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.07026

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-5.32974

>  <SCORE.INTRA.DIHEDRAL>
-0.0929784

>  <SCORE.INTRA.DIHEDRAL.0>
8.35662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.28325

>  <SCORE.INTRA.VDW.0>
-2.66326

>  <SCORE.INTRA.norm>
-0.166554

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.220946

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  205.4244  197.1549  239.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8393  196.9798  241.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8770  195.7287  241.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4154  195.5125  243.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9455  196.6150  244.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8525  197.8589  243.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2727  198.0367  242.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2723  199.3086  241.4373 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6148  200.4143  241.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9477  200.4531  243.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7999  201.5947  241.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5257  196.5644  245.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4279  197.3596  246.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0870  197.0257  245.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5791  194.1984  243.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7721  193.6124  244.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3120  193.6275  244.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0863  192.9512  242.8895 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.8322  193.3175  242.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2631  191.4581  242.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7560  193.3468  242.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-155.70510240,113.65124321,173.27284304,-1.75372680,62.98227419,55.41626299
-46.03390910,203.57027777,196.46772985,243.11405837,-0.60724154,-1.32968798
-2.43502830

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448733/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.13393

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-6.26607

>  <SCORE.INTRA.DIHEDRAL>
-7.95583

>  <SCORE.INTRA.DIHEDRAL.0>
10.3477

>  <SCORE.INTRA.POLAR>
0.000523019

>  <SCORE.INTRA.POLAR.0>
-0.0131157

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.28993

>  <SCORE.INTRA.VDW.0>
1.6161

>  <SCORE.INTRA.norm>
-0.313303

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.306697

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000231

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  196.1796  213.3410  249.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3148  214.4605  248.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9626  215.0932  248.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0991  216.2271  247.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8013  216.8504  246.8829 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5150  218.2054  246.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6930  219.3730  246.5378 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.1699  218.5357  247.1352 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2571  219.2676  246.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7734  218.5746  248.5042 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8662  217.5104  249.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9317  217.1259  250.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8741  215.9610  251.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9599  215.4750  251.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2939  216.1660  251.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3460  215.7401  251.9016 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3088  217.4588  250.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1597  217.8970  250.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5324  218.0879  250.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9050  218.5985  249.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7928  214.3415  252.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4417  214.3139  253.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0330  216.2045  246.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9501  219.4926  248.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
179.76378988,-177.69493043,132.29732487,-121.45024353,-58.29947778,84.41002311
-137.01166941,136.08422115,194.33590034,216.88155064,249.28699293,-1.25543997
0.28342556,-0.99730453

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448734/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.06943

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.609091

>  <SCORE.INTRA>
-9.33057

>  <SCORE.INTRA.DIHEDRAL>
2.52977

>  <SCORE.INTRA.DIHEDRAL.0>
5.13458

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.5955

>  <SCORE.INTRA.VDW.0>
5.6247

>  <SCORE.INTRA.norm>
-0.424117

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.184974

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001967

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  207.6811  198.1700  248.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5197  198.4820  248.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9720  198.6603  246.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4440  199.0108  246.7633 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.9106  198.7487  248.2121 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.4520  199.9600  248.9878 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.9832  201.0330  248.1509 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2245  201.3964  247.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5748  200.4324  246.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9747  200.8057  245.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9208  202.1432  244.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5307  203.1088  245.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2102  202.7286  246.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1943  202.4485  243.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6654  201.5679  242.7175 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1102  203.7471  242.9678 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5497  199.5092  249.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3142  199.4653  251.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3115  199.0406  252.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5618  198.6719  251.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8191  198.7072  250.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8193  199.1121  249.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7950  198.1717  252.8288 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.2767  201.8353  248.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4517  204.5370  243.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.5763  203.9163  242.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  1  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-107.23229510,0.11244522,209.55033308,200.11989670,248.01897732,0.90701505
0.55924587,2.38829035

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448735/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.2664

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-0.133598

>  <SCORE.INTRA.DIHEDRAL>
-0.15026

>  <SCORE.INTRA.DIHEDRAL.0>
0.879963

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0584684

>  <SCORE.INTRA.VDW.0>
-0.901211

>  <SCORE.INTRA.norm>
-0.00580863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.315931

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000118

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  193.0904  220.9628  258.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2004  219.8530  258.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9160  220.3786  259.4559 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1778  221.2143  258.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0704  222.3509  257.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3509  221.8219  257.4193 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6338  221.8816  256.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7554  221.2240  255.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0448  221.2148  254.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2231  221.8710  253.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1352  222.5806  253.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8321  222.5637  255.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4743  221.8407  251.8602 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4066  221.0104  251.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9847  220.1005  251.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6484  221.1775  249.7434 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7743  220.2598  249.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3300  218.8347  249.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0437  218.4548  249.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8892  219.4137  249.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3178  220.8888  248.9759 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.3878  221.2518  247.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3953  221.5758  246.8890 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1895  221.1692  246.8687 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5388  220.3409  260.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3273  219.6621  261.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9759  219.6066  263.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8181  220.2352  263.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0165  220.9213  262.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3813  220.9769  261.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4725  220.1835  264.8011 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.8206  222.3405  251.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2099  221.3903  245.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 16 14  1  1  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 33  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-6.45355212,-7.20352156,10.36463969,176.01684054,8.97201402,-179.53557241
192.46560630,220.82869886,255.06554300,-1.92418159,0.67874770,-1.33305581

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448737/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56986

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-3.83014

>  <SCORE.INTRA.DIHEDRAL>
-11.6571

>  <SCORE.INTRA.DIHEDRAL.0>
13.5384

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.99843

>  <SCORE.INTRA.VDW.0>
0.230807

>  <SCORE.INTRA.norm>
-0.123553

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.211931

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  197.4768  222.0216  257.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1354  222.5115  256.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7418  223.8087  256.3688 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8169  224.0241  257.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2453  222.9571  258.3482 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4938  225.1483  258.2957 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.1605  221.9048  254.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7004  222.8609  253.6919 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6059  223.8545  253.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8828  223.6958  252.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5251  224.9550  254.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8605  223.6125  254.2291 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4287  224.4922  255.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8387  225.5989  253.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4993  224.4459  254.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3943  223.9980  253.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <CHROM.1>
-137.46184144,-79.35328170,-95.78630501,-86.99763006,179.20562695,197.03025770
223.55388109,255.53773877,-1.53553792,1.11202558,-1.62063400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448746/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.93587

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-3.46413

>  <SCORE.INTRA.DIHEDRAL>
0.431251

>  <SCORE.INTRA.DIHEDRAL.0>
3.46383

>  <SCORE.INTRA.POLAR>
-1.11942

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.126269

>  <SCORE.INTRA.VDW.0>
-1.44996

>  <SCORE.INTRA.norm>
-0.288677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.494656

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002574

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  193.4124  217.3674  249.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0324  216.7317  250.6657 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.9902  215.9077  251.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5806  215.3020  252.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2044  216.3674  253.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2406  217.2103  252.8534 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6488  217.8054  251.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6491  218.2999  253.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7232  219.0244  253.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4817  218.6804  252.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8589  220.2763  254.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9911  221.0157  254.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0784  222.1051  254.9361 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0626  222.6301  255.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2004  223.6373  256.3615 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8710  221.9946  255.5540 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7179  220.6539  255.0340 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.3151  220.5624  254.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0706  221.0678  253.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8073  220.9316  252.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7942  220.3163  253.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9905  219.8049  254.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2661  219.9281  255.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6307  220.2821  252.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0136  220.9907  251.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4036  221.3678  251.4193 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2375  220.8098  253.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9414  222.6355  254.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1245  222.3970  256.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
169.54388003,-13.22243710,165.59664485,-44.44907278,194.75750437,219.67090258
253.29119673,-2.29524042,-0.21814642,0.48841729

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448747/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.87909

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-1.52091

>  <SCORE.INTRA.DIHEDRAL>
-2.61983

>  <SCORE.INTRA.DIHEDRAL.0>
5.43894

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.210991

>  <SCORE.INTRA.VDW.0>
-2.11153

>  <SCORE.INTRA.norm>
-0.0563299

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.291818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  201.5419  194.0036  246.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7498  193.2225  245.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6578  193.9250  244.1860 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.1195  195.2678  243.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8460  195.0994  242.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0269  194.1793  241.6752 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6849  192.8072  242.0429 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.9141  193.0228  242.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0332  191.8709  240.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0269  192.5303  239.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6619  190.5410  241.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7694  191.4840  240.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7430  193.9262  241.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2163  195.0065  240.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9218  194.1905  244.8053 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3008  193.3419  245.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-61.52995046,59.24973873,75.87750876,60.24200854,201.72676998,193.40931338
242.49436330,1.24602186,-0.74156100,1.02867833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448748/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.6235

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-0.7765

>  <SCORE.INTRA.DIHEDRAL>
0.968455

>  <SCORE.INTRA.DIHEDRAL.0>
0.467567

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.26073

>  <SCORE.INTRA.VDW.0>
5.03601

>  <SCORE.INTRA.norm>
-0.0517667

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.508233

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002452

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  182.9552  213.4927  258.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7197  212.8070  257.8352 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.0807  212.4896  256.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4790  211.0589  256.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2343  210.2188  256.7732 C   0  0  2  0  0  0  0  0  0  0  0  0
  180.4107  210.5430  258.0157 C   0  0  2  0  0  0  0  0  0  0  0  0
  180.9571  211.7114  258.7792 C   0  0  2  0  0  0  0  0  0  0  0  0
  179.6496  212.3306  259.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0701  213.7160  259.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5569  213.6342  257.7434 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.2430  215.1143  257.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9738  216.3839  257.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4570  213.1588  256.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.0440  209.4501  259.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5753  208.2353  258.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4072  207.9595  257.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3381  208.7574  256.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2581  208.4179  255.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0174  207.0592  254.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9007  206.2540  255.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6764  205.1682  254.9137 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.8594  206.7793  256.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6275  213.2197  255.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  1  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
70.40454502,-73.75934656,180.85266631,210.64394049,257.21439281,-1.62328402
-0.81825738,-2.88461793

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448749/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.21997

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-3.18003

>  <SCORE.INTRA.DIHEDRAL>
-4.80706

>  <SCORE.INTRA.DIHEDRAL.0>
5.83344

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.776498

>  <SCORE.INTRA.VDW.0>
0.227385

>  <SCORE.INTRA.norm>
-0.144547

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.146362

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001922

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  213.8706  196.6626  253.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7953  195.4604  253.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0785  194.1282  253.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4020  193.6715  254.5645 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2544  193.2369  252.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8666  193.7568  251.4441 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.4027  194.2072  250.5450 N   0  5  0  0  0  0  0  0  0  0  0  0
  213.1959  196.6945  252.0517 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.2471  197.8948  251.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0311  197.8179  251.8026 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8946  199.0847  251.9544 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2215  196.7531  250.9915 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2967  199.8549  251.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7610  196.9198  250.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.6897  195.8528  250.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  2  0  0  0  0
  8  1  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  2   6   1   7  -1
M  END
>  <CHROM.1>
-63.68273230,177.91261488,-77.57448774,-9.82963351,-112.83612076,-171.30022393
-178.79883431,213.65495051,195.85357425,252.35541762,2.36508883,0.92512710
-0.87375448

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448750/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.65664

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-7.74336

>  <SCORE.INTRA.DIHEDRAL>
-4.29354

>  <SCORE.INTRA.DIHEDRAL.0>
7.15115

>  <SCORE.INTRA.POLAR>
-1.27878

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.24875

>  <SCORE.INTRA.VDW.0>
-0.183666

>  <SCORE.INTRA.norm>
-0.64528

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.30472

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013706

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  216.4695  186.6747  247.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6822  188.1620  247.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0138  188.7906  248.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4644  188.6815  246.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6131  190.0296  245.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2507  190.3791  244.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3197  191.7105  243.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7791  192.6966  244.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1854  192.3532  246.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1016  191.0217  246.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8236  194.1007  244.3334 N   0  3  0  0  0  0  0  0  0  0  0  0
  216.4356  194.3653  243.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2444  194.9371  245.1439 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.0568  188.0564  245.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
>  <CHROM.1>
-175.42184637,216.72363838,191.10072013,245.59110901,1.63805893,1.23658500
2.62557036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448751/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25984

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.140162

>  <SCORE.INTRA.DIHEDRAL>
-0.406859

>  <SCORE.INTRA.DIHEDRAL.0>
0.466167

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0632675

>  <SCORE.INTRA.VDW.0>
-0.122842

>  <SCORE.INTRA.norm>
-0.0107817

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.481526

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000087

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  193.4604  219.2216  243.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0029  218.6760  245.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4381  217.7694  245.7279 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2600  219.2523  245.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7932  218.7652  246.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9633  219.3082  247.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6326  220.3251  246.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1129  220.7963  245.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9340  220.2803  245.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7356  221.7788  244.8241 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2275  217.7419  247.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5408  222.0456  245.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4058  217.4656  247.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.86510145,-1.90782531,0.09397461,195.65912567,219.42933025,245.84047491
2.80122878,0.56032465,2.21197945

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448752/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38623

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0137712

>  <SCORE.INTRA.DIHEDRAL>
-0.0133163

>  <SCORE.INTRA.DIHEDRAL.0>
0.0175278

>  <SCORE.INTRA.POLAR>
-0.00316045

>  <SCORE.INTRA.POLAR.0>
-0.0466064

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00363252

>  <SCORE.INTRA.VDW.0>
1.67739

>  <SCORE.INTRA.norm>
-0.00125192

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.580566

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001957

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  203.1535  196.2693  240.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2875  196.1809  242.0895 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1523  195.6036  243.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0964  194.4044  243.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8887  196.5401  243.9369 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7905  196.2405  244.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4439  197.2930  245.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3153  197.0361  246.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5570  195.7226  247.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9359  194.6698  246.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0647  194.9314  245.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4333  195.4472  248.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1401  195.2117  249.1203 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7658  197.4787  242.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9271  197.4943  243.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3928  196.5051  243.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7353  198.8922  244.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8566  199.3603  244.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8176  200.2628  244.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8987  200.6283  245.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0314  200.1106  246.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0756  199.2161  246.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9933  198.8450  246.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1529  200.5094  247.1886 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9883  200.7624  248.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7111  197.5174  243.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  3  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-97.47347267,177.15411045,-178.54745991,-16.70430235,-81.00358876,103.79637267
141.80946443,203.83104311,197.43211026,245.19806049,-2.79933020,-0.73330437
0.52889760

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448753/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19107

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-5.20893

>  <SCORE.INTRA.DIHEDRAL>
0.864907

>  <SCORE.INTRA.DIHEDRAL.0>
6.51

>  <SCORE.INTRA.POLAR>
-0.00370279

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.62879

>  <SCORE.INTRA.VDW.0>
2.73303

>  <SCORE.INTRA.norm>
-0.208357

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.287643

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002000

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  221.4894  181.9395  243.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2177  183.3945  243.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4534  184.2325  243.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3094  185.7148  243.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5555  186.4471  243.5056 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.5962  186.4891  242.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8714  185.6025  242.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7143  184.1393  242.7486 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.7783  183.2566  241.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5013  182.7070  240.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7096  183.8901  240.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4134  183.4745  239.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6826  183.6813  244.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4751  184.4658  244.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.8079  182.3536  244.4024 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.2050  181.1669  243.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9806  180.2592  243.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4906  179.8597  244.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1445  181.0048  245.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3304  181.9650  245.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7063  186.8724  244.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8321  186.5723  245.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8066  187.5919  245.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.0358  188.0718  244.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2078  187.2208  245.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3859  187.4095  246.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1915  187.0492  247.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9410  187.7876  246.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
179.14873609,-178.59465585,86.73631382,-102.06270037,48.30228661,101.30257221
-100.00495071,64.91343313,-179.69623626,224.59558450,184.43587703,243.93736447
2.02108078,0.91875569,-3.04774727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448762/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.35977

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-9.04023

>  <SCORE.INTRA.DIHEDRAL>
-1.58414

>  <SCORE.INTRA.DIHEDRAL.0>
6.98932

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.24816

>  <SCORE.INTRA.VDW.0>
0.746443

>  <SCORE.INTRA.norm>
-0.322865

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.19142

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041345

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  200.0201  200.7568  241.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5645  201.0393  241.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6400  200.0507  241.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3539  201.0831  243.3505 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2857  201.9974  243.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0591  202.5963  245.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5290  203.7294  245.4690 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2916  202.0011  246.2637 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1412  202.7082  247.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3474  202.5978  248.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5703  201.4377  249.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6011  201.4445  250.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4383  202.5242  250.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3157  203.6428  249.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2563  203.6781  248.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3410  202.3469  251.3149 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8734  201.1007  251.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8918  200.4439  251.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4463  200.8333  246.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6492  199.7476  247.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8521  199.2746  248.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5467  198.3511  248.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8284  198.1111  248.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1514  198.8988  247.0370 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.7583  199.9450  244.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1706  198.8652  243.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9269  200.0115  245.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5720  200.9564  246.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5787  201.0201  247.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4285  202.1251  247.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3923  202.1500  248.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5284  201.0675  249.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7003  199.9561  249.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7381  199.9306  248.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
148.67215951,-160.95703737,-68.09783620,95.29109815,-77.61443869,130.76914018
-79.11165216,109.83210859,64.70823639,174.19994885,105.07737911,198.47008289
200.98548818,247.06886210,-1.84478405,0.30385483,1.52611898

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448763/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.77198

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.482353

>  <SCORE.INTRA>
-10.628

>  <SCORE.INTRA.DIHEDRAL>
-0.327671

>  <SCORE.INTRA.DIHEDRAL.0>
8.98424

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.4642

>  <SCORE.INTRA.VDW.0>
-1.14693

>  <SCORE.INTRA.norm>
-0.312589

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.169764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000446

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  194.4402  226.0342  254.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7260  225.5954  254.2830 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5993  225.3696  252.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6077  224.0517  252.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5385  223.8061  250.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4834  224.8598  250.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4756  226.1691  250.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5368  226.4217  251.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5582  222.1403  250.3335 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.8666  221.2904  251.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2674  222.1319  248.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1866  221.7610  250.4764 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7746  226.5818  254.5502 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7415  222.3642  249.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4662  221.7813  251.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6125  226.3201  254.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0352  226.5284  255.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
-106.77151729,-176.35571353,34.40523408,-62.79125627,195.63690509,224.05017721
251.65273052,-1.77506288,1.56157735,-2.18156251

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448764/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.40422

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-1.99578

>  <SCORE.INTRA.DIHEDRAL>
-2.4646

>  <SCORE.INTRA.DIHEDRAL.0>
4.49625

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.763481

>  <SCORE.INTRA.VDW.0>
-0.507457

>  <SCORE.INTRA.norm>
-0.153522

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.569555

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002221

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  204.3533  215.1843  247.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6202  215.2267  246.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1483  216.3619  245.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4135  216.4080  244.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9522  217.5429  243.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2392  217.5931  241.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8731  217.4460  240.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1681  217.4985  239.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2435  216.1863  238.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1586  215.4618  238.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2335  214.1396  237.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7121  213.0387  238.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4696  212.0152  238.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9353  210.9155  239.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0805  209.5687  239.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5372  208.4487  240.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6845  207.0988  239.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1383  205.9811  240.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2632  204.6057  239.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7061  203.5417  240.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6791  202.9090  240.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4598  203.3282  241.5615 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1037  202.6346  242.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.96897608,-179.80928812,179.85632988,-119.64241738,-115.60770755,118.05899155
116.56192188,-117.40732271,120.17929501,179.93491862,-179.91780280,-179.90509356
179.98469333,-179.92125561,110.58173531,-179.54135910,202.39450355,211.69586752
241.01560681,-0.52755671,1.32569046,2.31686087

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448765/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.9658

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.927273

>  <SCORE.INTRA>
-1.43425

>  <SCORE.INTRA.DIHEDRAL>
0.183237

>  <SCORE.INTRA.DIHEDRAL.0>
1.09864

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.52587

>  <SCORE.INTRA.VDW.0>
-0.931563

>  <SCORE.INTRA.norm>
-0.0651931

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.86208

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.023963

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  191.9408  212.8216  260.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0094  212.2794  260.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4309  210.8617  260.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4562  210.3342  259.8451 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5772  210.1249  261.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6374  208.8634  261.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5510  207.7886  261.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3807  206.6088  262.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2470  206.3702  263.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1190  205.1858  263.8038 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.1150  204.8710  264.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9386  204.2472  263.5523 O   0  5  0  0  0  0  0  0  0  0  0  0
  191.3146  207.5221  263.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5412  208.6648  262.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7429  209.9057  262.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7609  210.1124  263.6029 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4434  210.8192  261.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1274  212.0852  261.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9078  211.0040  259.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3986  204.5300  264.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5 17  1  0  0  0  0
  5  6  2  0  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <CHROM.1>
89.91169611,192.16701664,208.73478213,262.29007610,1.51414874,0.62239205
-0.39047043

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448767/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.52003

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-2.87997

>  <SCORE.INTRA.DIHEDRAL>
-3.99995

>  <SCORE.INTRA.DIHEDRAL.0>
3.99996

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.879998

>  <SCORE.INTRA.VDW.0>
0.740478

>  <SCORE.INTRA.norm>
-0.159999

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.140001

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.580661

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 67 71  0  0  0  0  0  0  0  0999 V2000
  206.2351  201.9657  249.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9761  201.5485  250.5036 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0301  202.6463  251.5726 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.6616  202.8455  252.2436 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9023  201.5358  252.6568 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.1322  200.4372  251.5708 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.4828  200.3279  251.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5672  199.1721  252.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8937  198.0368  251.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3491  196.8720  251.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7452  195.7724  251.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9725  195.9682  249.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6168  194.9759  248.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7396  195.1866  247.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3906  196.4058  246.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7720  197.3871  247.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
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  205.5435  198.9335  245.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1418  198.2580  244.9372 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0013  200.3010  245.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2396  194.1351  246.7156 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6011  193.8313  245.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6128  194.3796  245.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3043  192.7013  244.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1613  193.7242  249.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4212  192.4658  249.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9199  191.3792  248.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
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  205.6433  203.9297  253.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
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  203.3939  203.8000  253.7085 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7219  205.4878  254.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4192  203.9247  251.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  6  0  0  0
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  4 60  1  1  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <CHROM.1>
-64.09958664,178.43576791,-41.85455494,-168.54189402,130.26269640,-160.40524098
111.31037842,135.24786376,-4.41678270,-0.52233480,-0.41136142,118.78473543
-134.89763996,174.57892264,-62.83053790,73.17302636,73.84573563,3.89095274
5.07595172,2.27033736,-5.04908828,0.77437741,206.25769488,198.62675670,252.16836192
0.56401991,1.55866506,-1.19988263

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448768/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.3919

>  <SCORE.INTER>
27.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
22

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408955

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
36.2655

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.0831

>  <SCORE.INTRA.VDW.0>
-9.95479

>  <SCORE.INTRA.norm>
-0.19415

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
67

>  <SCORE.norm>
0.214805

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  199.4434  214.8159  256.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6992  215.9427  256.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0228  215.7936  255.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2164  216.7842  254.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5457  216.6837  252.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6275  215.6514  252.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4208  214.6868  253.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.5889  216.2954  251.4774 O   0  0  0  0  0  0  0  0  0  0  0  0
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  199.1014  217.7942  254.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6083  219.1217  254.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3702  218.4585  250.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  8  1  0  0  0  0
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  6  9  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
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M  END
>  <CHROM.1>
-129.13726137,-127.19629139,-76.18405053,-94.85193285,-178.24593022,197.07766110
216.37124362,253.59578282,0.43887237,0.73331718,2.64479917

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448778/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.85872

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-1.54128

>  <SCORE.INTRA.DIHEDRAL>
4.32357

>  <SCORE.INTRA.DIHEDRAL.0>
3.81814

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
4.03444

>  <SCORE.INTRA.norm>
-0.110091

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.561337

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000775

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 51  0  0  0  0  0  0  0  0999 V2000
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  203.7759  193.4488  246.6912 N   0  3  0  0  0  0  0  0  0  0  0  0
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  206.1370  196.0022  244.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
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  207.8730  194.4736  244.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6585  195.5510  245.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3557  202.6115  246.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0496  204.4550  247.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.5953  200.4908  248.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1258  201.3980  244.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  6  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 36  1  0  0  0  0
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 40 45  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
M  CHG  2  32   1  34  -1
M  END
>  <CHROM.1>
-63.70341016,-69.78731354,-4.86628180,-82.02532476,-71.74400959,-113.46418681
-168.23762249,156.11435297,-60.13861434,143.16797565,62.64456105,134.08767913
-71.84039177,-179.03567187,58.06750510,-178.98456530,173.91808520,-27.89851059
206.97274469,199.35390758,246.80600373,-0.28315279,1.29331193,1.89452797

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448779/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-9.79949

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.497778

>  <SCORE.INTRA>
-32.1995

>  <SCORE.INTRA.DIHEDRAL>
-32.0686

>  <SCORE.INTRA.DIHEDRAL.0>
47.7181

>  <SCORE.INTRA.POLAR>
-1.23429

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.9686

>  <SCORE.INTRA.VDW.0>
-3.73061

>  <SCORE.INTRA.norm>
-0.715544

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
-0.217766

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007632

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  216.5364  179.8032  248.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7043  179.0088  249.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1279  177.8864  248.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1309  177.3312  249.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4874  176.1645  249.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7578  175.5118  247.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8913  174.3362  247.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9692  173.9616  248.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7338  174.6206  249.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8697  174.2238  250.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5220  175.7095  249.9880 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7849  173.6803  246.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5810  173.9724  245.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5298  175.4493  244.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7408  175.9436  243.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2552  176.2310  245.9857 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7942  176.0848  247.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4686  177.2499  247.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0763  175.5108  245.8476 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6152  176.3043  244.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6281  177.2801  244.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8898  178.1197  245.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8983  178.9558  244.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6248  178.9526  243.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3472  178.1201  242.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3465  177.2906  242.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2304  177.1829  245.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 18  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
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M  END
>  <CHROM.1>
-167.24463578,-101.76108625,60.94211639,111.16295181,179.56025771,151.67402997
-70.82656639,49.72449179,213.45194493,176.45062472,246.65174223,-1.35867835
0.81525049,1.79176869

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448780/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.19672

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-7.20328

>  <SCORE.INTRA.DIHEDRAL>
-5.46344

>  <SCORE.INTRA.DIHEDRAL.0>
9.98921

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.47156

>  <SCORE.INTRA.VDW.0>
1.74452

>  <SCORE.INTRA.norm>
-0.277049

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.199874

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000507

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  201.2490  209.2166  260.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3121  208.7009  259.6649 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0973  208.2261  260.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0248  209.7425  258.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1134  209.8669  257.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2878  208.6285  256.8759 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3790  208.7046  255.9383 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7281  208.8589  256.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6665  209.8076  256.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9082  209.9267  256.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2357  209.0908  257.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3052  208.1652  258.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0560  208.0722  257.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3419  207.4895  255.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4330  206.1813  255.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5794  205.0897  254.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5608  205.2592  253.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3875  206.5400  252.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2902  207.6468  253.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7689  204.1182  252.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9703  203.9650  251.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
80.65761658,59.06165697,-175.39824134,66.74084502,-134.16155814,-59.54243871
139.89887188,202.52846760,207.75679144,256.32920353,1.68629738,0.27547204
0.97122514

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448781/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.2052

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.590476

>  <SCORE.INTRA>
-1.19479

>  <SCORE.INTRA.DIHEDRAL>
1.6712

>  <SCORE.INTRA.DIHEDRAL.0>
2.97251

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.03039

>  <SCORE.INTRA.VDW.0>
1.19706

>  <SCORE.INTRA.norm>
-0.0568946

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.533582

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022132

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 35  0  0  0  0  0  0  0  0999 V2000
  204.4922  195.6607  242.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3131  196.5242  243.3085 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6427  197.8777  243.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4398  198.6903  244.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5981  195.6794  244.5623 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6051  196.1367  245.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5818  195.0719  246.7356 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.7540  193.5716  246.6832 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8476  193.5934  245.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4326  195.0995  245.4244 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.4002  195.7676  247.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7710  195.8107  247.6645 N   0  0  1  0  0  0  0  0  0  0  0  0
  206.1858  195.3299  249.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7860  193.8582  249.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2464  192.7536  248.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6836  192.5584  247.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8097  191.2449  246.7449 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8131  190.5718  247.5546 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.1610  191.5901  248.7025 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.0707  190.6547  249.9325 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.6223  189.3303  249.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4952  189.2375  248.2737 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3318  189.1486  249.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5876  190.3426  250.2067 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3257  190.0457  251.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4145  191.2233  252.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7014  193.3620  247.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
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  205.9036  190.7847  246.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3886  192.4530  247.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  5  2  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
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 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 18 17  1  1  0  0  0
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 19 20  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
-177.30783097,167.19605498,-179.79348614,-176.05082604,71.96122205,206.18520645
193.40005198,247.34876574,-2.64534825,-1.29677240,1.37000855

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448782/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3847

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-2.0153

>  <SCORE.INTRA.DIHEDRAL>
-3.74359

>  <SCORE.INTRA.DIHEDRAL.0>
5.85888

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.14351

>  <SCORE.INTRA.VDW.0>
0.441906

>  <SCORE.INTRA.norm>
-0.0746408

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.23647

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000638

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  208.2987  197.6432  242.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8476  196.7418  243.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4791  196.5139  243.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0499  195.7613  244.5541 C   0  5  0  0  0  0  0  0  0  0  0  0
  206.9766  195.2038  245.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3476  195.3889  245.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7804  196.1560  244.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5573  194.5283  246.6305 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3450  194.3752  246.8849 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8807  193.7471  248.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4990  193.6208  248.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9859  192.9715  249.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5997  192.8205  249.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0964  192.1465  250.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9686  191.6246  251.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3515  191.7800  251.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8708  192.4513  250.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2562  192.6057  250.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7595  193.2464  249.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  1   4  -1
M  END
>  <CHROM.1>
2.23129916,-179.75148266,205.23371222,194.19832934,247.35420222,1.00951417
-0.01118455,-1.03248641

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448783/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32254

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.0774571

>  <SCORE.INTRA.DIHEDRAL>
-0.168405

>  <SCORE.INTRA.DIHEDRAL.0>
0.176156

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00674523

>  <SCORE.INTRA.VDW.0>
-0.28397

>  <SCORE.INTRA.norm>
-0.00407669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.385397

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003586

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  199.2069  214.3528  255.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8080  213.0199  254.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5139  211.8594  255.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1255  210.5160  254.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8282  209.3636  255.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4403  208.1291  255.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9082  207.4205  255.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-179.73723901,-179.71832640,179.65562261,179.90102771,199.32857701,211.13059562
255.24181439,-1.70376804,0.86251409,-3.03232554

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448784/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.11342

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.4

>  <SCORE.INTRA>
-0.286578

>  <SCORE.INTRA.DIHEDRAL>
0.000841532

>  <SCORE.INTRA.DIHEDRAL.0>
0.000277879

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.286999

>  <SCORE.INTRA.VDW.0>
-0.157665

>  <SCORE.INTRA.norm>
-0.0477631

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.35224

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004406

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  217.8161  181.8281  251.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8716  180.7683  251.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3011  179.5980  250.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3659  179.5825  248.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8486  178.5093  248.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2867  177.4210  248.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2154  177.4211  250.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7223  178.5095  251.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7158  176.2892  248.1913 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.2150  176.1961  247.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9150  175.4289  248.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2477  176.3853  247.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3656  176.5484  249.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9759  175.4380  249.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1982  175.5615  251.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8116  176.8264  251.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2264  177.9555  250.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0077  177.8183  249.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5367  179.2622  248.8055 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.3659  174.2139  249.4798 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
92.65136750,29.49372680,-57.21795696,-82.55405237,215.77534145,177.84423725
249.71342677,0.73378742,0.34009325,0.47106715

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448785/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.90685

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-5.49315

>  <SCORE.INTRA.DIHEDRAL>
-0.0203703

>  <SCORE.INTRA.DIHEDRAL.0>
2.34662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.48296

>  <SCORE.INTRA.VDW.0>
2.17385

>  <SCORE.INTRA.norm>
-0.305175

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.217047

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  199.2468  200.7196  249.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7932  200.3682  250.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3680  198.8752  250.5617 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.8825  199.2418  250.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2660  199.0526  248.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6859  197.9849  247.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2615  197.7874  248.2861 N   0  0  2  0  0  0  0  0  0  0  0  0
  201.3120  197.5775  249.7250 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.1162  196.0989  250.1075 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.0681  195.4339  248.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6319  196.5656  247.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9010  195.8059  250.9660 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.4173  197.1620  251.6435 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5768  198.3187  251.8612 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.5189  197.6506  252.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5303  198.3418  253.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6602  199.5600  253.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3459  197.4724  254.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1293  197.5196  250.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0128  197.5652  251.3644 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3460  197.7005  249.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1889  197.9728  248.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8752  196.8332  252.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2736  194.6943  251.9483 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6891  194.5851  251.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2310  195.4771  250.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6054  195.7400  250.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4445  195.0135  251.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9325  193.9640  252.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5394  193.7626  252.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7167  193.1281  253.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7461  192.4384  252.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6313  193.3827  251.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6507  196.5909  253.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
165.17531108,116.29043882,71.37235298,65.12225737,4.24291084,177.21176743
-57.14881897,201.28734522,196.79383640,251.06117466,-2.32058767,0.21438345
2.78488149

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448786/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.29773

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-15.6977

>  <SCORE.INTRA.DIHEDRAL>
-14.6919

>  <SCORE.INTRA.DIHEDRAL.0>
19.1897

>  <SCORE.INTRA.POLAR>
0.195169

>  <SCORE.INTRA.POLAR.0>
-0.30618

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.01534

>  <SCORE.INTRA.VDW.0>
6.43473

>  <SCORE.INTRA.norm>
-0.475689

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
-0.130234

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003308

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  209.2880  186.8996  239.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6261  186.5566  240.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7673  185.3783  241.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0957  186.2657  241.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7988  185.2482  240.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1306  184.9736  240.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7945  185.7011  241.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0871  186.7227  242.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7600  187.0121  242.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1391  185.3125  242.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7362  184.3035  241.6081 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0441  184.0500  241.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8502  184.9638  242.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2271  184.6867  242.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7567  183.4816  242.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9633  182.5885  241.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6236  182.8978  241.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5276  183.0082  242.7359 Br  0  0  0  0  0  0  0  0  0  0  0  0
  217.2074  186.0750  243.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8289  186.0893  243.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7522  187.4302  242.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1449  188.4603  242.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9004  187.3795  242.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2728  188.2404  241.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 20  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-58.96752328,5.35613849,167.39904445,174.81849010,216.39809029,185.06630985
242.02221250,2.92647029,-0.21721126,0.25759653

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448787/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.86016

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-3.53984

>  <SCORE.INTRA.DIHEDRAL>
-8.89985

>  <SCORE.INTRA.DIHEDRAL.0>
11.0437

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.910089

>  <SCORE.INTRA.VDW.0>
-0.153104

>  <SCORE.INTRA.norm>
-0.153906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.211311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000210

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 47  0  0  0  0  0  0  0  0999 V2000
  181.8346  221.1535  266.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7117  221.8595  264.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0514  222.0425  264.1552 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.9301  220.7032  264.1526 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.2992  219.6612  264.8992 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.9027  220.0506  266.2371 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.3850  218.7621  266.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3582  217.9904  266.2254 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5040  220.2661  262.8725 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6359  220.0086  261.7301 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.4506  219.3844  260.5700 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.0846  218.0676  261.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0412  216.9862  261.4286 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.9422  217.5044  262.4075 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.4640  218.9637  262.0266 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.5613  218.9290  260.8922 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.8153  216.5375  262.4794 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0496  215.3758  263.3310 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.8515  214.2073  262.6314 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.3921  214.3203  262.7328 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.8280  214.6941  264.1465 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.0128  215.8821  264.6782 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.5889  215.6882  264.6165 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4371  216.1456  266.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0386  215.1078  267.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7175  213.5454  265.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0884  213.0462  262.3727 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.5001  214.0285  261.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4845  216.3675  260.2109 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4331  220.3195  260.0204 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.7872  222.7498  262.8947 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.7783  217.4888  265.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.6943  218.6418  265.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.1832  219.8124  260.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.3755  214.2594  266.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.2332  212.8442  264.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.8454  212.8138  261.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.0994  213.1924  262.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.6703  214.8656  260.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.1985  215.9681  259.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.0220  217.1071  259.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.9056  221.0968  259.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.8556  219.9010  259.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.4054  223.6923  263.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.1563  222.2031  262.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  6  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10  9  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  6  0  0  0
 14 15  1  0  0  0  0
 14 17  1  6  0  0  0
 15 16  1  6  0  0  0
 16 34  1  0  0  0  0
 18 17  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  6  0  0  0
 20 21  1  0  0  0  0
 20 27  1  1  0  0  0
 21 22  1  0  0  0  0
 21 26  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
 27 37  1  0  0  0  0
 27 38  1  0  0  0  0
 28 39  1  0  0  0  0
 29 40  1  0  0  0  0
 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
 30 43  1  0  0  0  0
 31 44  1  0  0  0  0
 31 45  1  0  0  0  0
M  END
>  <CHROM.1>
62.87588880,-57.51627472,69.68418146,74.37617819,-172.46214439,-62.59464300
56.56193385,79.19469648,-60.22804060,-83.05414766,58.34563075,60.31287761
53.77948782,-68.45855510,54.27843522,183.35362905,217.70808925,263.40596785
2.28499983,1.35829132,-0.65656781

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448788/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.29859

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.529032

>  <SCORE.INTRA>
-24.6986

>  <SCORE.INTRA.DIHEDRAL>
-23.2334

>  <SCORE.INTRA.DIHEDRAL.0>
30.5538

>  <SCORE.INTRA.POLAR>
-2.48272

>  <SCORE.INTRA.POLAR.0>
-0.449804

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.64063

>  <SCORE.INTRA.VDW.0>
-1.83264

>  <SCORE.INTRA.norm>
-0.796729

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
-0.267696

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000675

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  216.5794  196.1979  251.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3771  194.8157  251.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9279  194.6971  249.8516 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4640  193.3367  249.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8104  193.3608  248.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9281  195.3782  248.6214 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.8278  194.4601  248.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6842  196.7591  248.9787 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9236  195.3670  247.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7686  194.3539  246.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6387  194.2770  245.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6186  195.2685  244.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7892  196.2509  245.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9619  196.2899  247.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6255  195.4161  243.5039 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.4972  193.0757  244.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5038  192.3662  244.1836 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6586  192.8082  243.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7105  191.5902  242.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4644  190.4151  243.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9853  189.3482  243.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7913  190.6376  245.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6810  189.5545  246.0366 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.9139  189.4958  246.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4050  189.6370  246.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7241  188.4941  247.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4937  188.6105  247.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9320  189.8666  248.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6077  191.0105  247.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8367  190.8968  247.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3028  191.4695  245.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
147.12923415,-134.84973234,-76.33271049,99.06087653,18.61693694,173.02897944
-60.07279037,153.33535817,135.00750624,146.38949129,217.41743765,193.05005002
246.67744173,2.19384177,1.12746025,0.20472768

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448789/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.47804

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.513333

>  <SCORE.INTRA>
-6.92196

>  <SCORE.INTRA.DIHEDRAL>
-4.28825

>  <SCORE.INTRA.DIHEDRAL.0>
13.4128

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.77784

>  <SCORE.INTRA.VDW.0>
-0.284593

>  <SCORE.INTRA.norm>
-0.230732

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.282601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000461

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  190.5711  214.8173  264.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4587  214.6099  263.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6576  215.2347  263.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0165  215.9275  264.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4910  214.9481  262.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7824  215.5079  262.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5409  215.0848  261.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0238  214.1905  260.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7463  213.6745  260.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9824  214.0394  261.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0556  212.4431  259.1651 Br  0  0  0  0  0  0  0  0  0  0  0  0
  195.3606  216.4460  263.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7712  218.2985  263.1497 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
0.07646649,178.08360230,-82.81139747,193.68032716,215.18127393,261.87616435
1.32932313,0.66246055,0.82536276

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448790/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.96152

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-1.43848

>  <SCORE.INTRA.DIHEDRAL>
-3.76623

>  <SCORE.INTRA.DIHEDRAL.0>
4.47182

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.44463

>  <SCORE.INTRA.VDW.0>
1.52015

>  <SCORE.INTRA.norm>
-0.110653

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.535501

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000868

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  198.9818  209.6371  253.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0095  208.8306  252.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9417  208.2892  253.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7771  208.7232  251.5927 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7322  207.8763  250.5207 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.7482  206.5205  251.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3184  208.1567  249.1695 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3402  208.5749  250.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4563  207.7434  250.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7205  208.2803  251.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8860  209.6477  251.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7581  210.4777  251.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4891  209.9482  251.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1341  210.2351  251.6158 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3373  209.5655  251.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5296  208.3812  251.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5217  210.3342  252.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7505  209.8547  251.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9581  210.4624  252.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9565  211.5684  252.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7468  212.0683  253.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5145  211.4686  252.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3185  212.1055  253.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2171  212.2375  254.8121 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3645  212.5361  252.7597 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9799  209.1663  251.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1097  211.2381  251.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.5721  212.9734  253.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
57.64431247,140.80033095,-0.57307863,-150.71976372,121.77470449,-178.96722856
204.59791079,209.62687728,251.92238979,2.81316535,-0.12924199,-2.34977207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448791/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.2603

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-2.1397

>  <SCORE.INTRA.DIHEDRAL>
2.34552

>  <SCORE.INTRA.DIHEDRAL.0>
12.0125

>  <SCORE.INTRA.POLAR>
-0.999975

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0874523

>  <SCORE.INTRA.VDW.0>
-2.53184

>  <SCORE.INTRA.norm>
-0.0855881

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.330412

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000609

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  211.1523  188.2256  238.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7565  187.2463  239.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5313  186.2450  239.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0378  185.3895  240.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8240  185.5667  241.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3555  184.7575  242.6171 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.3216  183.6298  242.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5131  183.5087  242.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9152  184.4162  241.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4491  182.5325  242.5686 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9304  182.7111  243.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6296  181.9839  244.8219 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1655  185.6690  243.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2456  186.4201  244.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0779  187.4002  245.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8258  187.5499  245.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7593  186.7453  245.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9216  185.8260  244.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7263  188.5065  246.8847 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5956  189.3704  246.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1035  188.2427  245.6471 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8804  189.6205  245.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6496  189.7771  243.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3410  189.8705  243.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1105  189.9992  241.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1853  190.0252  241.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4904  189.9060  241.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7240  189.7750  242.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9314  186.6112  240.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7723  186.7211  241.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4542  187.4427  239.9346 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1778  181.5812  242.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8709  182.6077  243.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 31  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  1  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  3  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
-58.28804511,66.15750941,113.91229268,133.72653944,-57.94868757,98.24291279
210.01513923,186.84280496,242.95888441,-0.66133518,1.26242403,-0.28143919

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448792/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56989

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-4.83011

>  <SCORE.INTRA.DIHEDRAL>
3.70553

>  <SCORE.INTRA.DIHEDRAL.0>
4.71056

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.68287

>  <SCORE.INTRA.VDW.0>
2.11445

>  <SCORE.INTRA.norm>
-0.15581

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.211932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  192.1534  218.2324  258.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0706  219.6913  258.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4182  220.6378  257.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3196  222.0881  257.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6700  223.0923  256.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1335  222.9715  256.4119 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4419  223.8242  255.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8657  223.3118  254.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1460  224.1026  252.7846 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5723  223.8898  252.2394 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.5080  224.3409  250.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1235  223.9106  250.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7814  223.7441  249.2444 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2084  223.7130  251.6092 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.9725  224.6202  251.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9186  224.1478  250.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0297  223.0180  251.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6798  221.6339  250.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6072  221.2968  252.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3536  219.9788  251.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2355  220.0002  250.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0720  219.3299  249.6779 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2612  220.8731  250.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0076  222.5335  252.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9915  223.3696  257.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8465  220.9155  250.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3934  221.9619  251.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8821  222.7385  258.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.96739205,179.36340888,-64.13546600,172.32019460,-119.05080690,64.87937837
124.44237780,57.32941023,-171.52173901,80.29161601,-81.74544525,84.34044909
-174.04537987,60.85736591,-113.30562123,-179.53456284,193.88351305,222.29045799
253.23950240,1.96951599,0.98186225,1.46790035

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448793/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.0618

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.736

>  <SCORE.INTRA>
-5.33816

>  <SCORE.INTRA.DIHEDRAL>
5.03517

>  <SCORE.INTRA.DIHEDRAL.0>
2.66418

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.45575

>  <SCORE.INTRA.VDW.0>
0.30527

>  <SCORE.INTRA.norm>
-0.213527

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.522473

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  214.0050  189.2164  246.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3921  188.3750  247.3417 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2490  188.8308  247.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7078  190.0135  247.5715 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4143  190.7620  246.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5684  190.4218  246.1758 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7505  192.3535  246.3417 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.3759  187.7633  248.9424 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.5393  188.6903  245.8122 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.2776  192.9467  247.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0391  188.1818  250.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2913  189.2900  246.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
-94.96174069,86.68873161,84.87314246,212.89997763,189.61191229,247.04866165
-0.41219205,0.51561697,-0.47521831

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448794/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.383

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-0.0169971

>  <SCORE.INTRA.DIHEDRAL>
-0.00730789

>  <SCORE.INTRA.DIHEDRAL.0>
6.00005

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0133431

>  <SCORE.INTRA.VDW.0>
-0.0718708

>  <SCORE.INTRA.norm>
-0.00188856

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.931445

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003657

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  212.7739  185.5650  247.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7225  187.0221  247.5228 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6134  187.2043  246.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7340  187.3671  245.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6058  187.5378  243.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7254  187.7245  242.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5738  187.9232  241.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3026  187.9366  241.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1764  187.7578  241.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3153  187.5484  243.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1926  187.3651  244.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3440  187.1895  245.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5459  187.6666  248.2245 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.7023  187.1283  247.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6109  187.4010  249.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3570  189.1272  248.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1526  189.7077  248.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9315  191.1738  248.5984 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.3502  191.5365  249.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.8293  191.6880  248.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.4088  191.6911  247.2954 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.0758  193.1762  247.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3878  191.4392  246.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7528  191.7507  246.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6611  191.4990  245.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0243  191.7986  245.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9138  191.5410  244.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4485  190.9799  243.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0954  190.6739  243.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1889  190.9229  244.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8299  190.6148  243.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9395  190.8644  244.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 32  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  CHG  2  13   1  18   1
M  END
>  <CHROM.1>
-92.78942643,-58.55427253,-178.63862542,-179.93758581,-160.77079907,171.45036114
-47.90018086,212.12341643,189.38580743,245.30854273,3.12350838,1.02955101
-0.48833134

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448802/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.19838

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-4.20162

>  <SCORE.INTRA.DIHEDRAL>
0.486067

>  <SCORE.INTRA.DIHEDRAL.0>
1.91548

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.44466

>  <SCORE.INTRA.VDW.0>
0.319802

>  <SCORE.INTRA.norm>
-0.150058

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.292799

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013385

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  218.8607  188.6261  245.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8373  189.7399  245.1621 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.4085  190.2674  246.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2680  189.7116  245.4402 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.0033  188.5328  245.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2824  187.8833  244.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2236  186.7523  244.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4084  186.2625  243.1537 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8683  186.3438  245.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6301  186.9628  246.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6981  188.0967  246.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5038  188.6532  247.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4583  186.3101  247.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1385  185.2522  247.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8083  185.3534  245.6802 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.4092  184.5756  244.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0901  184.2390  247.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6951  184.4035  248.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6118  183.4748  249.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9805  182.3641  248.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3881  182.1619  247.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4291  183.0664  246.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5473  186.7238  249.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2661  186.8793  249.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8891  187.6835  249.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
74.33687485,49.60591186,-15.39812014,-71.30164001,223.84623096,186.40761638
246.63115385,-3.01964723,-0.78113084,1.33765646

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448803/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.74368

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35

>  <SCORE.INTRA>
-3.65632

>  <SCORE.INTRA.DIHEDRAL>
-4.60103

>  <SCORE.INTRA.DIHEDRAL.0>
7.28245

>  <SCORE.INTRA.POLAR>
-0.778846

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.29227

>  <SCORE.INTRA.VDW.0>
-1.58064

>  <SCORE.INTRA.norm>
-0.152347

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.197653

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010621

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  210.6252  190.8405  238.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8977  191.9374  239.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7291  192.7718  240.1378 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.9428  194.0466  240.5107 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.8128  193.6931  241.4911 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.3674  192.8997  242.6816 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.1430  191.6708  242.1897 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1979  192.0848  241.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7787  190.9096  243.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8211  191.6603  243.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2200  193.7767  243.4442 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1820  194.8849  241.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4305  194.6832  239.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4770  192.5409  244.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6906  194.5539  243.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.7988  195.3322  241.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.9028  194.0095  238.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  1  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
171.31402645,55.49652308,61.87492263,57.13050126,-67.74576255,52.08036108
210.08795840,192.79497321,241.43211274,-2.16318051,-0.99833035,1.41101656

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448804/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.793852

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-6.60615

>  <SCORE.INTRA.DIHEDRAL>
-7.97935

>  <SCORE.INTRA.DIHEDRAL.0>
9.09323

>  <SCORE.INTRA.POLAR>
-0.651889

>  <SCORE.INTRA.POLAR.0>
-0.186413

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.400049

>  <SCORE.INTRA.VDW.0>
0.217391

>  <SCORE.INTRA.norm>
-0.508165

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.0610655

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002692

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  209.4961  198.3615  237.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6275  198.1092  238.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8275  196.8238  239.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8842  196.5582  240.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7685  197.5676  240.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5503  198.8637  239.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4940  199.1312  239.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8737  197.3471  241.2766 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3376  196.1171  241.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8776  195.0476  241.2905 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3886  196.1273  242.6032 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0431  197.2810  243.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9052  194.8373  243.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4737  198.1390  241.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
9.58226811,213.08130536,197.04614384,240.67917568,2.73497949,-0.66396469
-0.10077980

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448805/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.32859

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.0714132

>  <SCORE.INTRA.DIHEDRAL>
-0.306644

>  <SCORE.INTRA.DIHEDRAL.0>
0.52203

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.081909

>  <SCORE.INTRA.VDW.0>
-0.0633046

>  <SCORE.INTRA.norm>
-0.00549332

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.486814

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000620

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  201.4416  186.6472  239.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8097  187.9497  239.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5627  188.3353  239.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6187  189.7527  239.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8413  190.1866  239.5379 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5759  189.0542  239.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5630  190.6926  240.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4341  190.3237  240.6182 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9396  192.0373  240.2720 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9915  193.0501  240.5748 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0479  193.4253  241.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8210  192.2407  242.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8828  191.4978  243.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6490  190.3860  244.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3575  189.9547  244.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3087  190.7076  244.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5282  191.8266  243.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1433  188.8360  245.4079 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2344  188.1603  246.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8164  188.4277  245.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8225  192.2802  239.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0572  192.6634  240.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
-1.47407921,94.22960630,-57.27163976,93.82195472,10.16934986,198.59121240
190.15265308,242.01893068,-0.38034417,-0.95511975,2.52643360

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448806/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.62433

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-1.77567

>  <SCORE.INTRA.DIHEDRAL>
-1.71002

>  <SCORE.INTRA.DIHEDRAL.0>
3.00249

>  <SCORE.INTRA.POLAR>
-0.000574561

>  <SCORE.INTRA.POLAR.0>
-0.0284148

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.918702

>  <SCORE.INTRA.VDW.0>
0.695171

>  <SCORE.INTRA.norm>
-0.0887834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.431217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  202.9999  208.2340  250.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3463  207.8616  251.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6448  206.3827  251.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4291  208.7130  250.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4338  208.1773  253.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5624  207.5251  254.1696 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2619  207.9448  253.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1165  207.5494  254.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7085  206.1130  254.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9629  205.5797  254.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9867  204.0513  254.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0382  203.4736  255.2844 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.7784  203.6350  253.2428 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.1848  203.5604  254.9077 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.9037  208.0841  255.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9842  209.7474  255.8120 Si  0  0  0  0  0  0  0  0  0  0  0  0
  205.6031  210.6075  255.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5418  210.7766  255.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1436  210.2107  257.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8911  209.6626  258.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4132  209.5229  258.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2763  211.7321  258.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
63.84666232,-60.05544242,178.67616593,70.72564649,50.67115663,-179.39240654
-59.84572830,-79.06717131,-60.88929321,204.11126152,207.63566268,254.64275583
1.04137258,1.36114074,-2.01077676

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448807/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.5734

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.654545

>  <SCORE.INTRA>
-6.8266

>  <SCORE.INTRA.DIHEDRAL>
-9.79378

>  <SCORE.INTRA.DIHEDRAL.0>
10.5729

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.92971

>  <SCORE.INTRA.VDW.0>
-0.0311249

>  <SCORE.INTRA.norm>
-0.3103

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.344245

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029658

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 33  0  0  0  0  0  0  0  0999 V2000
  218.4083  191.8497  250.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7534  192.3133  251.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3031  192.0654  251.7793 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9529  190.6730  252.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5560  190.2202  251.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6803  193.0690  252.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3895  194.4152  252.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5091  194.2688  250.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2292  195.4367  250.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7093  196.5225  250.5313 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3631  195.1742  249.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0616  196.2357  248.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3091  196.0144  247.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8268  194.7382  246.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1615  193.6755  247.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9178  193.8865  248.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0971  194.4647  245.5789 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6755  195.3481  244.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8791  195.1062  243.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2082  193.8084  243.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8346  193.1181  244.3476 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0059  193.4375  242.1149 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8370  194.3117  241.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2837  193.9025  240.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2377  195.6181  241.2853 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7675  196.1085  242.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1343  197.2687  242.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0471  196.5567  240.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2525  196.6834  239.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0097  197.7593  239.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8279  193.4903  245.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5601  192.5449  241.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 19 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
78.10667922,-157.29896223,81.70108225,59.09261616,-179.77087442,3.92457518
-174.06946906,-3.58757255,-93.06796097,-117.93115024,212.31323560,194.42892628
246.40965855,0.51785315,0.93420792,2.77411230

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448808/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.93004

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.513333

>  <SCORE.INTRA>
-13.47

>  <SCORE.INTRA.DIHEDRAL>
-21.6921

>  <SCORE.INTRA.DIHEDRAL.0>
26.4444

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.6239

>  <SCORE.INTRA.VDW.0>
2.94975

>  <SCORE.INTRA.norm>
-0.448999

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0643347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000704

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  215.3611  188.5299  239.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9105  187.1694  240.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5504  185.9660  240.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5111  185.0541  240.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3228  185.6704  240.6849 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5775  186.9982  240.3897 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6119  183.5825  240.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1603  183.1692  242.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9196  183.7861  243.4032 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4345  185.1278  243.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2510  185.7418  244.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2442  184.8484  246.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6865  183.4394  245.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8739  182.8915  244.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
118.57522711,-59.32260672,83.32781898,214.73194631,185.15315551,242.42989536
-1.94058362,1.29922980,2.47222611

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448809/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.83264

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.56736

>  <SCORE.INTRA.DIHEDRAL>
-0.495641

>  <SCORE.INTRA.DIHEDRAL.0>
1.41093

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.31954

>  <SCORE.INTRA.VDW.0>
0.184556

>  <SCORE.INTRA.norm>
-0.111954

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.488046

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000158

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  214.1687  198.2277  244.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1559  198.4011  245.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1511  197.0543  246.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1454  197.1926  248.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1425  195.8011  248.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1354  195.8542  250.1121 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1287  194.6348  250.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3764  193.4030  250.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3350  192.1937  250.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0411  192.1927  252.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8431  193.4485  252.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8731  194.6641  252.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0089  190.8943  253.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2411  189.8367  252.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7606  191.0360  254.4753 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7246  190.0379  255.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7866  188.6135  255.2293 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4264  188.2575  255.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9365  188.9355  256.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9555  190.4408  256.9413 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.6332  188.8031  257.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7283  188.1827  256.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1291  187.7499  255.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4880  187.7647  254.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9064  188.0680  256.8265 Br  0  0  0  0  0  0  0  0  0  0  0  0
  214.7470  187.9378  256.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2130  188.3185  256.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4705  188.6450  256.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  3  0  0  0  0
M  END
>  <CHROM.1>
179.71152101,-179.93138919,-179.92348406,179.83008599,12.46181607,-0.44184958
-178.84880473,-62.77658660,-39.89195219,212.58958871,191.18949390,253.51606056
1.25843358,-0.01643111,-0.82628243

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448818/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.9105

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-3.48952

>  <SCORE.INTRA.DIHEDRAL>
-7.00763

>  <SCORE.INTRA.DIHEDRAL.0>
7.28859

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.014299

>  <SCORE.INTRA.VDW.0>
-0.660036

>  <SCORE.INTRA.norm>
-0.124626

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.38966

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000120

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  193.4376  209.8386  255.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8248  209.2405  256.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8202  209.9200  256.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4548  211.2241  256.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1188  211.8708  255.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0782  211.1332  254.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8760  211.7797  253.2730 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.8272  213.3191  255.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7004  213.5162  254.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5583  213.8322  254.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0997  213.2928  252.7677 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1866  212.0497  257.3131 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.0904  209.0986  258.1773 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.3995  213.3994  252.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
-89.08014852,100.24385281,179.35735111,191.71596328,211.45250088,255.53845673
-1.77772652,0.63009330,-0.82287065

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448819/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.23986

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-1.16014

>  <SCORE.INTRA.DIHEDRAL>
-0.00325196

>  <SCORE.INTRA.DIHEDRAL.0>
2.03814

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15851

>  <SCORE.INTRA.VDW.0>
-0.476465

>  <SCORE.INTRA.norm>
-0.0892413

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.479989

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001735

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  184.6846  209.6692  251.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6185  209.3984  252.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0066  210.0168  253.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9289  209.7473  254.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2964  210.3547  256.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1949  210.0629  257.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5118  210.6413  258.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3790  210.3291  259.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7202  210.8818  260.9605 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.8729  210.7425  262.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4071  209.9183  261.8764 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.4942  211.4888  263.3861 S   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1  12  -1
M  END
>  <CHROM.1>
179.77086273,179.90188349,179.97226211,179.73142384,179.73799124,179.81118973
179.99497267,0.32916434,182.03053125,210.34520586,258.59704263,-1.19642490
0.47502200,1.28024802

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448820/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.4006

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.11667

>  <SCORE.INTRA>
0.000635124

>  <SCORE.INTRA.DIHEDRAL>
0.00139053

>  <SCORE.INTRA.DIHEDRAL.0>
0.000359214

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.01412e-05

>  <SCORE.INTRA.VDW.0>
-0.086154

>  <SCORE.INTRA.norm>
5.2927e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
1.11672

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.071970

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  184.9025  208.3132  258.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2089  207.8823  258.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4782  208.6601  260.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0934  206.3916  259.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3458  208.0084  257.9598 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1801  209.4253  257.6128 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.7870  209.9533  258.8076 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9662  209.1375  256.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9166  210.5727  257.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4778  211.5239  258.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4268  212.3658  257.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8199  212.2495  256.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2497  211.2992  255.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3070  210.4446  255.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6669  211.1472  254.1856 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.6697  211.9401  253.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1255  212.8982  254.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3410  211.6129  252.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4254  212.1683  251.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5843  211.4697  250.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6134  212.2253  250.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5913  213.6167  250.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9353  214.1737  250.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2151  213.2563  248.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7651  211.8475  249.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3925  214.2702  250.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2775  213.5058  250.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3839  207.3373  257.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.0847  210.4492  253.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
81.25652022,60.75771178,101.11005710,4.32618677,-76.13595691,89.21170449
186.20204425,210.97018616,254.86833640,1.46249736,-0.24865102,2.02421516

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448821/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3913

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-1.00865

>  <SCORE.INTRA.DIHEDRAL>
0.0412026

>  <SCORE.INTRA.DIHEDRAL.0>
4.46929

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.02925

>  <SCORE.INTRA.VDW.0>
-2.1545

>  <SCORE.INTRA.norm>
-0.0373574

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.384865

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000049

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  223.1296  189.3057  232.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2194  190.1918  233.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9356  190.9969  233.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9762  191.8720  234.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0923  191.1222  235.9448 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1756  191.8901  237.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0491  193.1035  237.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2420  191.0200  238.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4692  191.5027  239.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2449  190.6991  240.6394 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5016  189.5325  240.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8214  189.0783  241.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8968  187.8709  241.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5780  187.3052  240.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0808  188.1731  239.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4227  188.2694  238.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4813  188.7502  239.3250 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.9559  189.5290  238.0698 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.2137  188.8357  237.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4198  188.9496  238.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5630  188.3779  237.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5573  187.6926  236.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4052  187.5344  235.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2168  188.0973  236.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7835  187.8164  235.3831 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  226.7865  187.2216  236.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.5581  187.6497  237.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7937  188.4115  238.3071 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5746  188.2978  242.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5372  186.7506  242.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9816  192.8907  239.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2221  191.2116  241.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  6  0  0  0
 17 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
178.64958166,-62.37551141,177.88927536,6.05213091,172.93402115,55.90918192
222.53729161,189.26010726,237.75785966,0.93160887,0.51489280,-1.12641236

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448822/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.88605

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.367742

>  <SCORE.INTRA>
-8.51395

>  <SCORE.INTRA.DIHEDRAL>
-16.4562

>  <SCORE.INTRA.DIHEDRAL.0>
18.0083

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.285833

>  <SCORE.INTRA.VDW.0>
-2.03141

>  <SCORE.INTRA.norm>
-0.274643

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0930984

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000083

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  201.3475  221.3619  249.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5908  220.1909  250.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4888  219.1850  250.5882 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8522  218.0905  251.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8825  217.3690  250.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1845  216.3390  251.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5154  215.9301  252.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5483  216.5809  252.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2026  217.6776  252.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8559  214.7892  252.8649 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7879  213.6787  252.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2276  213.6292  250.8559 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1487  212.5246  252.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6454  212.5967  253.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9517  211.3218  254.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7330  210.4669  252.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9861  211.0139  251.7823 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.7039  213.6964  254.6570 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2960  214.7472  254.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2699  216.2483  255.0886 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.2567  216.0048  256.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8835  215.4085  256.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3948  214.5776  257.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1279  216.0156  255.2721 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2309  215.5298  253.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9454  214.2024  253.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2890  213.9164  252.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9862  214.8684  251.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9990  216.1950  251.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6861  216.5107  253.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5500  214.4306  250.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5592  213.4554  250.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0776  212.8465  251.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2055  216.3126  255.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 33  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
-179.93477516,53.19144174,46.51890454,169.90587834,-50.49293779,140.96164115
90.91299716,59.11030993,197.81755000,215.08891305,252.70740820,-0.35161868
-0.94136481,-2.42267760

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448823/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.73589

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-6.66411

>  <SCORE.INTRA.DIHEDRAL>
1.97042

>  <SCORE.INTRA.DIHEDRAL.0>
12.705

>  <SCORE.INTRA.POLAR>
0.517974

>  <SCORE.INTRA.POLAR.0>
-0.517974

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.41044

>  <SCORE.INTRA.VDW.0>
0.179639

>  <SCORE.INTRA.norm>
-0.201943

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.204118

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  195.7253  228.3802  259.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8591  227.0717  259.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2747  226.8290  258.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5481  227.8908  257.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4405  229.2017  257.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0231  229.4449  259.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9640  227.5799  255.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2616  228.5028  255.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6403  228.1844  253.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7009  228.7838  252.7199 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9349  228.5697  251.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8500  227.9235  250.9241 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9796  229.1757  250.6717 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2085  229.6315  251.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9746  229.0370  249.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.58604671,119.79173345,179.94240048,0.23097474,196.64164441,228.29199507
255.35693013,1.84131941,-1.11994221,1.87791660

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448824/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.41855

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-2.98145

>  <SCORE.INTRA.DIHEDRAL>
-6.18749

>  <SCORE.INTRA.DIHEDRAL.0>
6.19061

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.112291

>  <SCORE.INTRA.VDW.0>
0.308535

>  <SCORE.INTRA.norm>
-0.229343

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.493734

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009802

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  200.0404  199.3691  240.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4486  198.3786  241.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8709  198.7198  242.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9034  200.0483  242.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4921  201.0326  242.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0556  200.6999  240.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6500  201.7434  239.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7513  203.0448  240.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2760  203.5476  241.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8836  203.9565  242.5609 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3504  203.9573  239.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8387  204.6816  238.6248 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3964  200.4962  244.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2365  197.6686  243.1959 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.2361  196.5143  242.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7364  198.0015  244.2826 O   0  5  0  0  0  0  0  0  0  0  0  0
  198.0022  199.7502  244.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  3  0  0  0  0
 11 12  3  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <CHROM.1>
-0.13635329,-177.86565191,199.55850563,200.62933876,241.74924961,-2.51513416
1.08247381,0.38461393

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448825/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.05825

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-4.34175

>  <SCORE.INTRA.DIHEDRAL>
-12.7775

>  <SCORE.INTRA.DIHEDRAL.0>
12.7989

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.04702

>  <SCORE.INTRA.VDW.0>
-0.783949

>  <SCORE.INTRA.norm>
-0.271359

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.128641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000293

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  188.7530  213.6546  262.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6650  215.2204  262.1665 As  0  0  0  0  0  0  0  0  0  0  0  0
  190.8313  215.3352  263.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5149  215.2158  260.5366 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.5815  216.6913  262.3699 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.0600  213.6232  261.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  2   4  -1   5  -1
M  END
>  <CHROM.1>
179.66626332,189.65578024,215.21063991,262.16825756,-2.20084765,0.73475151
0.09351805

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448829/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.37236

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08

>  <SCORE.INTRA>
-0.0276406

>  <SCORE.INTRA.DIHEDRAL>
-0.0552812

>  <SCORE.INTRA.DIHEDRAL.0>
0.0612402

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.00552812

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.07447

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.236404

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  196.1912  208.3987  247.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4257  209.0034  247.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5148  210.3928  247.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3477  211.1659  247.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1118  210.5722  247.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0392  209.1811  247.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9375  211.3328  247.4846 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8620  210.9729  248.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8611  210.2665  248.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9778  212.3251  248.2215 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8510  211.9045  248.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7394  211.8577  246.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2210  212.9872  248.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9078  212.6795  248.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <CHROM.1>
0.53398774,-46.95332829,196.96435814,210.43315228,247.72786103,-2.95098789
-0.13495170,0.11860516

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448834/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.06831

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.331686

>  <SCORE.INTRA.DIHEDRAL>
-0.222849

>  <SCORE.INTRA.DIHEDRAL.0>
0.618768

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.220261

>  <SCORE.INTRA.VDW.0>
-0.0433616

>  <SCORE.INTRA.norm>
-0.0331686

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.706831

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001792

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  202.9349  209.7805  247.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2204  208.9152  246.5099 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2142  207.9418  246.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8489  206.6547  247.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7773  205.6067  247.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0998  205.8072  246.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4680  207.0885  246.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5314  208.1334  246.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9807  204.7081  246.6632 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1315  205.0075  246.2786 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9354  203.8657  246.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2489  204.0288  245.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0430  202.9165  245.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5629  201.6052  245.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2397  201.4525  245.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4420  202.5615  246.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3497  200.5391  245.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2973  199.9072  245.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3923  208.5915  246.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.7698  200.7277  244.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
91.74095669,-179.94227165,179.29062710,90.17143894,207.46138959,204.80586537
246.22994846,-2.39928754,-0.28260956,3.03172523

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448835/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.56558

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-3.83442

>  <SCORE.INTRA.DIHEDRAL>
-4.98227

>  <SCORE.INTRA.DIHEDRAL.0>
5.82922

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.34329

>  <SCORE.INTRA.VDW.0>
2.08145

>  <SCORE.INTRA.norm>
-0.213023

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.309199

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  4  3  0  0  0  0  0  0  0  0999 V2000
  200.5196  206.5086  240.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5021  205.9127  240.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5708  207.2146  241.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5884  207.8106  242.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <CHROM.1>
179.99438741,200.54522461,206.86161729,241.20777765,1.01703467,0.31931082
-2.07271526

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448836/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-8.52858e-06

>  <SCORE.INTRA.DIHEDRAL>
-1.71063e-05

>  <SCORE.INTRA.DIHEDRAL.0>
1.72156e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.45644e-08

>  <SCORE.INTRA.VDW.0>
-0.0838415

>  <SCORE.INTRA.norm>
-2.13215e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.6

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.079942

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  191.4740  222.8240  261.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7922  223.0447  260.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7619  222.3534  259.6761 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7900  220.9503  259.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8558  220.2021  258.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9651  218.7871  258.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0924  217.6378  258.6898 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5983  220.7780  258.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8178  220.0205  257.8288 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4701  222.1535  258.4512 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4097  222.8545  257.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4812  224.2464  257.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5051  224.9631  257.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4151  224.3031  256.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3118  222.9180  256.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3067  222.1984  257.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3785  225.0489  255.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2506  220.1910  260.2957 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.5677  219.1771  261.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5927  222.6685  259.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2608  222.6878  258.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  3  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-70.08086884,124.88693086,119.22295073,179.17914993,-169.93434167,190.86626437
221.71293469,258.77143575,-0.38019313,-0.68785166,0.27606535

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448837/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.49557

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-4.90443

>  <SCORE.INTRA.DIHEDRAL>
-8.23568

>  <SCORE.INTRA.DIHEDRAL.0>
12.3412

>  <SCORE.INTRA.POLAR>
-0.67589

>  <SCORE.INTRA.POLAR.0>
-0.0607544

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.51144

>  <SCORE.INTRA.VDW.0>
-2.35715

>  <SCORE.INTRA.norm>
-0.258128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.28924

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  200.7998  209.3896  257.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6809  209.0605  256.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6747  209.9906  256.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6376  209.8915  255.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6233  208.6992  254.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5968  207.7001  254.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6319  207.8821  255.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6447  210.9567  255.2707 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2713  210.5511  254.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3898  211.4160  254.6498 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6453  212.7857  254.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7997  213.2370  254.9100 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9699  212.4605  255.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0788  212.8906  254.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5161  212.6063  254.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8198  213.3302  256.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7894  213.1260  257.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3265  213.1082  256.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6090  213.6827  254.2506 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8149  209.2068  255.0885 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6668  213.3188  254.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7636  214.7037  254.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3572  208.4719  255.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8462  208.9802  254.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <CHROM.1>
-145.87812230,197.38063145,211.13913394,255.45225966,-0.58387878,-0.33285181
0.06825758

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448838/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39642

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.00358346

>  <SCORE.INTRA.DIHEDRAL>
0.183654

>  <SCORE.INTRA.DIHEDRAL.0>
4.45288

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0954104

>  <SCORE.INTRA.VDW.0>
-1.20796

>  <SCORE.INTRA.norm>
-0.000179173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.319821

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  207.3069  210.7036  247.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9130  209.2338  247.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4324  209.0542  246.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9973  207.6088  246.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0907  207.1519  247.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7077  205.7114  247.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8603  205.3104  248.6015 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3113  204.8809  246.8906 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1895  205.4003  246.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5589  206.7102  246.0873 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0246  204.3745  244.9603 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.2177  203.5749  246.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0034  204.6265  246.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1544  204.9024  246.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3169  205.2030  247.9060 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7652  206.2830  248.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9253  206.7544  249.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3072  207.8480  250.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5306  208.4916  250.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3783  208.0094  249.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9916  206.9223  248.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8359  209.7378  251.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0854  210.2261  251.8677 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9756  210.2949  250.5606 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3530  211.5450  251.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6384  212.0006  250.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2448  207.0238  245.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.4528  204.7547  248.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-177.23558850,115.70495935,-77.10515239,-53.72308542,-102.20212648,178.87809847
1.16321702,176.80449462,-179.84055544,207.12472011,207.30200705,248.16340520
1.02488383,-0.06024763,0.61430456

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448839/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.98234

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-7.41766

>  <SCORE.INTRA.DIHEDRAL>
-6.73613

>  <SCORE.INTRA.DIHEDRAL.0>
11.0829

>  <SCORE.INTRA.POLAR>
-0.000442474

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.04809

>  <SCORE.INTRA.VDW.0>
-0.913998

>  <SCORE.INTRA.norm>
-0.285294

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.268552

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  199.9694  195.7415  247.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5822  197.1430  247.6904 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2946  197.4253  248.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1631  198.0566  246.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7265  198.2420  245.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3594  199.1651  244.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5531  199.8455  244.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8543  199.7797  246.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2021  198.9007  247.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6900  200.2939  243.9880 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8624  199.3335  242.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4938  200.6174  242.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1833  201.7081  241.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8136  203.0317  242.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7756  204.0545  242.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0999  203.7753  241.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4371  202.5126  241.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4688  201.4922  241.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0776  197.9281  243.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0431  196.8794  242.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9254  195.5467  242.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8211  195.2485  244.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9622  196.2589  245.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1528  197.5601  244.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0882  200.8142  244.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2416  202.1058  245.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4975  202.6059  245.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6460  201.8399  245.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5436  200.5751  244.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2898  200.0802  244.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
80.66330237,-31.19893348,-76.40203196,169.87014309,-71.20482193,202.82066506
199.57653638,244.40607683,2.61011563,-0.86063211,-2.82571755

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448840/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.80245

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-3.59755

>  <SCORE.INTRA.DIHEDRAL>
-1.65896

>  <SCORE.INTRA.DIHEDRAL.0>
11.8269

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.76807

>  <SCORE.INTRA.VDW.0>
-3.65972

>  <SCORE.INTRA.norm>
-0.119918

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.226748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.070272

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  197.6997  208.1963  249.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1700  209.5912  249.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0042  209.9292  249.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1711  210.6783  250.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3475  210.4594  250.4445 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5627  211.8771  250.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2277  212.5637  250.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
0.06386902,-179.96801112,197.66422485,210.16981184,250.05604909,-2.09857155
-0.19835595,0.15909080

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448841/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-0.764698

>  <SCORE.INTRA.DIHEDRAL>
3.53138e-07

>  <SCORE.INTRA.DIHEDRAL.0>
1.96585e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.764698

>  <SCORE.INTRA.VDW.0>
1.21691

>  <SCORE.INTRA.norm>
-0.12745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
0.939217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.294969

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  216.7667  211.0243  256.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2345  210.1577  257.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4816  208.9526  256.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3345  209.3329  255.8862 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7637  210.2684  254.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6011  211.4625  255.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5547  208.1233  255.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3107  208.4735  254.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1859  209.1131  255.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7368  208.3384  256.5029 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8337  207.8204  257.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0173  207.2447  256.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7721  209.1226  257.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5948  208.2275  257.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5885  207.8511  256.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8791  206.4574  256.1840 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0461  206.2207  255.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0759  206.6932  254.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0495  206.2699  253.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0351  205.3871  253.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0667  204.9652  254.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0863  205.3773  255.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2327  204.8308  257.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2874  205.3301  258.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8618  204.9422  258.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1574  204.0439  258.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8615  203.6493  258.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2753  204.1111  257.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9731  205.0051  256.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2424  205.4694  256.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4799  207.1703  254.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6477  207.4552  254.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9646  206.0112  254.0589 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9821  205.1447  254.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9337  205.9330  253.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <CHROM.1>
177.15142807,-5.80593083,135.21313798,-72.39763795,102.34471273,-70.94757491
-88.74941925,211.10134519,207.17491568,256.10684179,0.20049534,0.48858103
0.78379088

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448850/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.18527

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-4.21473

>  <SCORE.INTRA.DIHEDRAL>
3.81653

>  <SCORE.INTRA.DIHEDRAL.0>
4.40694

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.123

>  <SCORE.INTRA.VDW.0>
1.27636

>  <SCORE.INTRA.norm>
-0.127719

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.248038

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000305

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  220.2534  187.4029  248.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4218  186.8028  247.9359 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4787  187.6637  247.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3117  188.0166  248.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4050  188.8604  248.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6700  189.3746  247.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8468  189.0364  246.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7726  188.1323  246.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9759  187.7552  245.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6540  187.6763  245.2481 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2146  187.5092  243.9646 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2625  187.4638  243.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4357  187.5729  243.9296 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.7952  187.5054  243.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8416  187.1728  244.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1667  187.1340  243.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4544  187.3814  242.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4266  187.6709  241.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1050  187.7560  242.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0823  187.3303  242.0097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  221.1569  187.1561  241.4587 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.4055  186.7229  241.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9684  185.6602  242.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9486  185.7991  242.9336 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7935  184.5404  242.3295 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8972  184.4936  243.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1722  184.3033  242.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3199  184.3087  243.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1915  184.4689  244.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9398  184.5995  245.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7896  184.6007  244.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1215  184.5557  245.5398 Br  0  0  0  0  0  0  0  0  0  0  0  0
  224.2874  184.4659  245.6020 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.2984  184.1433  241.3482 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.9454  184.0991  241.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 35  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
79.81136592,41.19418143,-7.81615545,21.69022862,-49.99714312,130.95286351
89.79437813,-120.89221090,222.21250559,186.37483508,244.35564092,-3.08835727
-0.35940594,-1.84490981

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448851/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01539

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394118

>  <SCORE.INTRA>
-8.38461

>  <SCORE.INTRA.DIHEDRAL>
0.316462

>  <SCORE.INTRA.DIHEDRAL.0>
13.5557

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.54284

>  <SCORE.INTRA.VDW.0>
-1.72569

>  <SCORE.INTRA.norm>
-0.246606

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.147511

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  225.2865  186.0612  253.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5696  184.7229  253.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2415  184.6713  252.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1880  184.7448  253.5483 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2305  184.6018  251.4925 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.4259  184.5350  250.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5181  185.1346  249.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6899  185.0292  248.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7722  184.3434  249.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6306  183.7941  250.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4995  183.8849  251.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8857  184.6212  250.8539 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.5667  185.9817  250.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5119  183.4178  249.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4865  183.0953  248.8560 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3393  181.9542  249.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3596  181.6187  248.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6874  181.3667  246.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7621  182.5248  246.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7825  182.8165  247.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-104.48739828,-145.85871225,104.40846693,-52.10339688,99.96588191,223.73263055
183.94562909,250.16462771,-1.43469179,-0.04836897,-2.04721159

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448852/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.44459

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-1.95541

>  <SCORE.INTRA.DIHEDRAL>
3.7211

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.81596

>  <SCORE.INTRA.VDW.0>
0.293745

>  <SCORE.INTRA.norm>
-0.0977707

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.422229

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001243

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  218.7824  187.8203  250.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7789  188.7868  250.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7982  189.7753  249.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8743  189.7779  248.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8164  188.8596  248.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7827  187.8779  249.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1307  190.6249  246.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0944  189.7767  245.1607 P   0  0  0  0  0  0  0  0  0  0  0  0
  219.3836  191.1112  244.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7597  188.7785  245.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4599  187.4996  246.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2229  187.1269  247.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8795  186.0111  248.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7737  185.2427  247.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0285  185.5743  246.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3760  186.6898  246.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0582  188.9285  243.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0392  187.9956  243.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0262  187.2508  242.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0064  187.4556  241.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0015  188.4048  241.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0307  189.1283  242.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
125.50519583,179.39442171,86.34856111,160.76101760,-136.44426973,219.35529720
188.32946466,245.99618436,-1.30837637,1.44521818,-1.73666060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448853/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.54805

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-2.85195

>  <SCORE.INTRA.DIHEDRAL>
0.092482

>  <SCORE.INTRA.DIHEDRAL.0>
12.1175

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.89819

>  <SCORE.INTRA.VDW.0>
-2.73095

>  <SCORE.INTRA.norm>
-0.129634

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.343093

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002814

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  189.4164  226.6795  251.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1889  227.1234  252.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2248  226.3942  253.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4777  225.2123  253.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7408  224.7587  252.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7030  225.4900  251.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4003  224.5002  254.8654 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5746  223.4765  254.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8364  223.7293  255.2315 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2315  225.0039  255.4135 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2443  222.0352  254.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9546  221.6002  254.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7149  220.2462  254.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7547  219.3210  254.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0371  219.7442  254.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2828  221.0952  254.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3466  225.4939  255.9606 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4656  225.1498  257.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2940  225.9477  258.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6670  225.5529  259.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2228  224.3392  259.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3841  223.5406  259.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0109  223.9444  257.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4618  225.5675  255.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.5344  225.4540  254.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.6360  226.2038  255.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-89.41990271,77.04635921,-170.48480218,-1.52955243,27.74023447,135.70672346
189.98510970,223.95516088,255.16262826,3.05562855,1.47616272,-2.92777924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448854/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.67161

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-2.72839

>  <SCORE.INTRA.DIHEDRAL>
-4.85446

>  <SCORE.INTRA.DIHEDRAL.0>
7.47715

>  <SCORE.INTRA.POLAR>
0.0236269

>  <SCORE.INTRA.POLAR.0>
-0.819192

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.38149

>  <SCORE.INTRA.VDW.0>
-3.08846

>  <SCORE.INTRA.norm>
-0.118626

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.377027

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 54  0  0  0  0  0  0  0  0999 V2000
  198.4855  204.8796  245.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5816  205.3202  246.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8999  205.0553  247.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2743  205.3695  248.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6356  205.2648  248.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0503  205.5247  250.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1436  205.9740  250.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7943  206.1359  250.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3727  205.7922  249.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7788  206.7069  251.5862 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6685  205.9599  252.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8038  204.6590  253.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8546  204.0779  254.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3783  204.7414  255.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2626  204.1013  256.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4390  203.0018  257.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9705  202.3031  256.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2608  202.8052  254.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3562  202.5474  258.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6434  202.9332  258.9048 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1742  204.1436  258.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5751  203.1372  260.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0351  203.6813  252.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3951  207.0329  253.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9064  206.8860  255.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7625  208.3539  253.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7526  209.3894  253.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0322  208.1018  251.9361 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4045  209.1897  251.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5847  210.4291  251.5446 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0576  211.2629  250.5519 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1650  210.6534  249.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6865  208.9952  249.4551 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.7295  211.4469  247.9412 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.1363  210.0033  246.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4769  209.3879  247.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6549  208.8198  248.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8736  208.2434  248.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9410  208.2245  248.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7843  208.7760  246.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5645  209.3543  246.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4582  210.0006  244.7636 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.6741  204.8941  247.8721 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8807  205.7257  246.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0984  205.2342  245.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4360  206.1585  244.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7932  205.8299  244.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3493  206.0859  243.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9891  204.0537  251.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  6  0  0  0
 10 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 33  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
M  END
>  <CHROM.1>
179.13769035,-170.73408944,60.03311203,-56.80811648,-31.07200251,-5.98629827
178.41106922,163.06502775,-79.51515102,63.68093103,177.54225318,-175.61656757
169.18023945,200.67126542,206.78359279,250.44059178,-0.66599773,-1.12882309
2.79043341

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448855/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.21001

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3625

>  <SCORE.INTRA>
-20.61

>  <SCORE.INTRA.DIHEDRAL>
-34.0174

>  <SCORE.INTRA.DIHEDRAL.0>
45.3493

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.6013

>  <SCORE.INTRA.VDW.0>
-3.12669

>  <SCORE.INTRA.norm>
-0.429375

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
-0.0668752

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 52  0  0  0  0  0  0  0  0999 V2000
  197.2288  207.1470  247.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0543  206.6203  246.2466 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9731  205.6323  246.1223 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6456  205.4371  244.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7148  204.6044  243.8872 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9797  203.2318  244.5865 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4276  203.5206  246.0503 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2500  204.2496  246.7964 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.0274  203.4787  246.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9288  202.4478  246.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1211  201.7585  246.4828 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1105  200.7001  245.2676 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.8154  201.2293  244.1067 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.9932  202.1125  244.2176 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3789  203.2641  245.0325 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2001  202.7733  246.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1409  204.5741  244.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0548  205.0284  243.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0696  201.3879  244.7644 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9071  200.0616  243.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5639  199.7279  242.9866 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.9886  200.3444  244.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1262  200.1495  242.3225 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.9979  201.6831  242.1102 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9987  202.2050  241.0714 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3423  201.4982  241.1989 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1239  200.1161  241.5697 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4311  201.8400  240.1066 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.8536  201.3012  240.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8249  199.9591  240.8779 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0842  201.5779  238.7014 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4158  202.0110  239.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6801  202.0644  241.6642 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9631  199.7204  243.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8145  202.3996  244.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3310  204.4819  242.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9436  206.2809  245.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3426  203.9714  247.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4716  204.3424  242.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8243  202.0054  244.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2150  199.9505  241.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6171  202.2198  238.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1050  201.8063  238.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5490  202.4591  239.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1079  201.9701  242.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8707  200.3518  243.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1279  202.7679  245.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1951  205.4213  242.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4195  204.0319  242.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 37  1  0  0  0  0
  3  2  1  6  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  6  0  0  0
  6  7  1  0  0  0  0
  6 35  1  1  0  0  0
  7  8  1  0  0  0  0
  7 10  1  1  0  0  0
  8  9  1  6  0  0  0
  9 38  1  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  6  0  0  0
 14 15  1  0  0  0  0
 14 19  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 21 20  1  1  0  0  0
 21 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  1  0  0  0
 24 25  1  0  0  0  0
 24 33  1  6  0  0  0
 25 26  1  0  0  0  0
 25 32  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 28 29  1  1  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 41  1  0  0  0  0
 31 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 44  1  0  0  0  0
 33 45  1  0  0  0  0
 34 46  1  0  0  0  0
 35 47  1  0  0  0  0
 36 48  1  0  0  0  0
 36 49  1  0  0  0  0
M  END
>  <CHROM.1>
165.19098744,55.18766917,-71.88648276,62.24946202,-61.90341738,-74.57161500
179.33657844,64.06534201,-62.12490131,78.69473895,73.39917412,54.70595629
169.71256705,43.92704425,152.75304924,-53.72606295,198.39288466,202.49760489
243.71151024,-2.04304911,0.18680849,-2.12915340

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448856/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.53483

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-19.9348

>  <SCORE.INTRA.DIHEDRAL>
-12.8105

>  <SCORE.INTRA.DIHEDRAL.0>
21.6389

>  <SCORE.INTRA.POLAR>
-2.94512

>  <SCORE.INTRA.POLAR.0>
-1.46068

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.5162

>  <SCORE.INTRA.VDW.0>
-2.08062

>  <SCORE.INTRA.norm>
-0.553745

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
-0.181523

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000104

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  205.9158  180.1772  239.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7427  178.9967  238.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0900  179.1428  237.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4492  178.6413  236.4817 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1038  179.0586  235.3231 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1020  179.7877  235.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1587  179.8624  237.0773 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1674  180.5346  237.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9228  180.9962  236.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3999  180.6509  235.0413 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.1790  181.7458  236.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0086  182.2229  235.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1685  182.9430  236.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5223  183.1838  237.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7349  182.6493  238.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5557  181.9623  238.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6954  183.8712  237.9506 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6152  184.5228  237.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3779  185.1292  235.6163 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.8538  184.7304  237.7371 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2617  184.2885  238.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4916  183.8590  239.8308 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7185  184.4240  239.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1338  184.0187  240.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4765  184.1113  240.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9701  183.7186  242.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3461  184.0252  242.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6597  184.5638  240.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5263  184.6291  240.1665 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8839  185.0566  240.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1431  185.0483  240.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2834  185.5177  240.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1818  185.9969  238.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9497  186.0267  238.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8107  185.5626  238.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5903  186.5420  238.1486 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  225.3995  184.4260  242.5332 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.8662  183.9583  238.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.5245  185.1663  237.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-94.83071126,178.75666885,6.69671100,179.00007935,179.64018165,0.91037296
216.61904082,183.20303035,238.45577969,3.06251497,-0.34123137,-1.21266702

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448857/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.55441

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308108

>  <SCORE.INTRA>
-2.84559

>  <SCORE.INTRA.DIHEDRAL>
-7.32529

>  <SCORE.INTRA.DIHEDRAL.0>
8.71298

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.817059

>  <SCORE.INTRA.VDW.0>
-2.03086

>  <SCORE.INTRA.norm>
-0.0769078

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.2312

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000573

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  185.0789  198.8575  263.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6238  199.9366  264.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5689  199.6871  265.1025 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7164  200.8703  265.7851 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8830  201.8410  265.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8380  203.0438  265.4408 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1829  201.2040  264.2398 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.2880  201.9652  263.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9861  202.7646  262.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8527  203.6709  262.8151 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.7396  201.9395  261.4988 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.3596  201.1448  262.8363 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.5750  202.8127  264.1968 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.6687  201.0661  266.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8054  202.3025  267.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6257  202.4041  268.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3538  201.2825  269.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2890  200.0834  268.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4542  199.9860  267.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4732  198.8317  266.5614 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.3608  201.3459  270.4414 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.7059  203.5080  269.4053 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3680  204.7793  268.8705 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.6081  205.7847  270.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2401  205.2236  267.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1670  206.0194  267.7518 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7730  204.6500  266.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5288  204.9234  265.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0182  204.1326  264.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1484  202.6313  264.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4108  201.7485  263.0135 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
178.62978512,-94.09829900,-60.93438171,-24.24355731,-178.13144269,-101.11467757
-177.19272533,174.20404859,-62.35399546,175.04744248,187.46367125,202.22885117
265.82884778,3.10786025,-0.96314290,-0.29376781

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448858/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.33295

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496774

>  <SCORE.INTRA>
-8.06705

>  <SCORE.INTRA.DIHEDRAL>
-10.4252

>  <SCORE.INTRA.DIHEDRAL.0>
15.5626

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.85447

>  <SCORE.INTRA.VDW.0>
-1.94372

>  <SCORE.INTRA.norm>
-0.260227

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.236547

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  218.7519  197.5326  245.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6208  198.5492  245.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1048  200.0058  245.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5976  198.3382  244.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9409  198.3035  246.8350 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6471  198.4475  247.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8270  198.7684  248.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8743  198.2191  249.0850 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3900  198.4646  250.4385 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.0863  199.8930  250.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6752  200.9830  250.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8147  201.7896  249.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3383  202.4181  250.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8896  197.4023  251.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6208  196.6785  252.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5253  197.4221  251.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9772  196.4787  252.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9603  197.8003  248.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  1  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
63.73429514,-0.17444952,91.39837679,-59.85359421,122.06479234,104.43517881
-178.60569847,217.20316074,198.76580799,248.89028016,0.51552436,-1.32721852
-2.46852033

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448859/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.7084

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.729412

>  <SCORE.INTRA>
-0.691617

>  <SCORE.INTRA.DIHEDRAL>
0.0206288

>  <SCORE.INTRA.DIHEDRAL.0>
5.0693

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.701932

>  <SCORE.INTRA.VDW.0>
1.2919

>  <SCORE.INTRA.norm>
-0.0406834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.688728

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009424

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  184.5154  216.9611  256.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3349  216.4811  257.3856 N   0  3  0  0  0  0  0  0  0  0  0  0
  186.3634  217.5076  257.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4489  216.3170  258.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9567  215.1806  256.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8585  214.5260  258.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4424  213.2050  257.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3242  212.5600  258.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8929  211.2683  258.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6511  210.0209  258.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3763  209.1389  257.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0170  209.8984  256.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7094  211.1664  257.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
179.82698647,-179.98543006,-179.51301513,179.86830979,-117.20783255,187.31462949
213.52161322,257.66217944,-2.48625942,-0.81793985,2.32603345

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448860/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3926

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.00741273

>  <SCORE.INTRA.DIHEDRAL>
0.0150478

>  <SCORE.INTRA.DIHEDRAL.0>
0.00367286

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0149367

>  <SCORE.INTRA.VDW.0>
1.2808

>  <SCORE.INTRA.norm>
-0.00057021

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.79943

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029085

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 54  0  0  0  0  0  0  0  0999 V2000
  196.6547  203.1400  251.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6121  203.6557  250.2460 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.2397  203.1629  248.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3093  203.6047  247.8861 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.5791  202.8101  248.0216 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5383  203.6816  247.1586 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9896  205.1396  247.2698 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8537  204.9215  248.1879 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2572  205.5659  245.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2043  206.5849  246.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8583  207.6581  247.2440 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7008  208.1093  248.7534 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.6831  207.6350  249.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3459  207.9906  249.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1637  208.9906  248.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7510  209.1566  247.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1470  210.4741  248.4051 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.1691  211.6270  248.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7057  211.3518  248.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2598  209.9789  247.9036 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8005  209.6117  248.5069 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.2829  209.2591  247.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2092  210.0267  247.5811 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3142  207.6578  247.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8409  206.4176  247.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9427  206.2189  248.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1773  210.0321  246.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6464  210.4618  249.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5379  209.5555  250.0097 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1273  209.5734  251.5075 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.1629  210.7234  251.8257 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9989  210.6867  250.8350 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.5615  210.8160  249.4092 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4421  209.7192  249.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4307  210.8329  248.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7774  209.5619  248.2918 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3134  209.4335  251.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6355  210.5886  253.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2954  209.6055  252.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0178  203.4018  247.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8914  202.6740  249.5107 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.7262  201.6927  249.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.8923  202.8283  249.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1209  203.5095  250.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5334  209.3235  249.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.0363  209.4136  251.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4087  210.6437  253.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7816  208.7829  252.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 44  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  1  0  0  0
  6  7  1  0  0  0  0
  6 40  1  1  0  0  0
  7 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  6  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 29 28  1  1  0  0  0
 29 34  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 39  1  1  0  0  0
 31 32  1  0  0  0  0
 31 38  1  1  0  0  0
 32 33  1  0  0  0  0
 32 37  1  6  0  0  0
 33 34  1  0  0  0  0
 33 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 45  1  0  0  0  0
 37 46  1  0  0  0  0
 38 47  1  0  0  0  0
 39 48  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
M  CHG  1  41   1
M  END
>  <CHROM.1>
-63.51266763,177.30603436,-61.57917757,62.02396075,57.68607099,-68.11562775
51.53529998,196.22225521,207.76940144,248.93546275,0.42660221,-0.38919922
2.83652543

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448861/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.70957

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2

>  <SCORE.INTRA>
-3.69043

>  <SCORE.INTRA.DIHEDRAL>
-7.76613

>  <SCORE.INTRA.DIHEDRAL.0>
9.06129

>  <SCORE.INTRA.POLAR>
0.361679

>  <SCORE.INTRA.POLAR.0>
-1.19437

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.03707

>  <SCORE.INTRA.VDW.0>
-0.014004

>  <SCORE.INTRA.norm>
-0.0878674

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.112133

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  213.0448  180.5012  240.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3870  180.3630  241.9122 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9940  179.9561  241.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1374  179.4098  242.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0210  179.6534  244.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6046  180.8854  244.7025 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9956  182.0907  244.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5730  182.2557  244.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5600  182.6588  243.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2236  182.6976  244.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8797  182.3459  245.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8713  181.9629  246.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2081  181.9166  246.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9261  183.2572  244.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2887  183.5750  245.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2058  184.5928  246.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7702  185.3135  245.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4049  185.0284  243.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4836  184.0134  243.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
151.67346526,-65.39174762,64.28937179,64.91531375,-135.86601692,-59.69671499
212.61347965,182.15548615,244.13314767,-2.40452573,0.35287500,0.79758655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448862/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.75464

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.64536

>  <SCORE.INTRA.DIHEDRAL>
1.20439

>  <SCORE.INTRA.DIHEDRAL.0>
1.66078

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.24755

>  <SCORE.INTRA.VDW.0>
-0.372094

>  <SCORE.INTRA.norm>
-0.0865977

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.513402

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031830

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  212.2762  186.6555  245.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1932  187.7530  245.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0679  187.3474  243.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4893  189.0044  244.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8456  189.7494  245.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8462  190.1174  246.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8237  191.1229  246.5637 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3810  192.0651  247.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2832  193.2093  247.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6361  192.7155  246.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4971  193.7443  245.8952 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3289  194.4521  246.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3684  193.1444  244.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7346  190.7468  245.5057 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8379  191.3317  244.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8712  190.7319  243.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4126  189.7142  244.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6859  189.7427  245.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9516  188.8439  246.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9488  187.8802  246.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6950  187.8528  245.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4600  188.7701  244.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9248  186.6624  245.1315 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.2481  191.1054  242.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2818  190.4251  241.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6762  190.7922  240.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0226  191.8328  239.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9819  192.5099  240.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6002  192.1509  241.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5008  192.2797  238.0089 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
74.79040866,57.44682478,67.34768107,149.35582204,-173.29841533,117.66150046
-67.33996468,173.74082120,84.92056368,-178.06226735,215.96482516,190.39539541
244.17756555,2.95364026,1.18193078,0.62170091

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448863/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.97876

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.513333

>  <SCORE.INTRA>
-8.42124

>  <SCORE.INTRA.DIHEDRAL>
-4.50451

>  <SCORE.INTRA.DIHEDRAL.0>
8.17872

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.16899

>  <SCORE.INTRA.VDW.0>
0.77308

>  <SCORE.INTRA.norm>
-0.280708

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.232625

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003767

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  200.7928  216.6822  255.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3988  217.0506  255.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6063  217.7525  254.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1800  218.1076  255.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4422  218.7531  254.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0062  217.7587  252.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1608  217.0784  252.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9474  217.8286  251.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9898  217.2574  250.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2611  215.9078  250.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4950  215.1345  251.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4357  215.6952  252.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6446  214.7463  253.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2402  214.5233  254.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4232  213.5888  255.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
178.41453965,-177.68869852,75.16581923,-64.60880911,-71.71766179,-94.74862001
178.99923224,197.87092620,216.51318746,253.41448768,-1.71686476,-1.19673056
-1.54279060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448864/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8053

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.826667

>  <SCORE.INTRA>
-1.59474

>  <SCORE.INTRA.DIHEDRAL>
0.238983

>  <SCORE.INTRA.DIHEDRAL.0>
2.17703

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71423

>  <SCORE.INTRA.VDW.0>
-0.995303

>  <SCORE.INTRA.norm>
-0.106316

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.720351

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046000

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  197.3582  209.8471  246.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4118  210.4775  246.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1556  211.2887  248.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8363  211.4755  248.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7783  210.8364  247.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0452  210.0203  246.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5207  212.5100  249.9311 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.0820  212.6457  250.0689 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3275  211.9945  251.0189 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1629  214.0988  249.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2448  214.7324  248.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4415  213.9288  246.8664 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
174.10914060,73.01317116,-73.91594538,196.70128482,212.28538554,248.41474236
-0.47951452,-1.35636688,1.81076726

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448865/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.21475

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-0.185251

>  <SCORE.INTRA.DIHEDRAL>
1.06896

>  <SCORE.INTRA.DIHEDRAL.0>
1.26421

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.71973

>  <SCORE.INTRA.VDW.0>
-0.986388

>  <SCORE.INTRA.norm>
-0.0154376

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.684562

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028420

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  204.9687  197.2377  240.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6266  197.5422  241.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3656  197.2338  242.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3774  197.7361  243.6079 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1762  198.3453  242.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8279  198.1842  241.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4378  199.0104  242.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2465  199.4303  241.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5084  199.9827  242.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8680  200.2975  243.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0770  199.8359  244.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8646  199.1967  244.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5272  199.9939  245.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9365  199.1230  246.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1472  199.3362  248.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0199  200.3337  248.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5870  201.2145  247.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2475  202.3334  248.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7030  203.3379  247.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3320  202.9852  246.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4578  201.9935  245.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5011  201.0495  246.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2016  196.4885  243.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1282  197.4158  243.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4193  197.7864  245.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4862  198.6352  245.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4622  198.3016  246.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4665  199.2142  246.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5858  200.4132  245.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6129  200.6966  245.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5639  199.8400  244.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6736  201.2029  246.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6343  202.6197  245.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4416  203.3182  246.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9877  203.2490  246.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4283  202.8019  244.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6031  203.5500  243.8996 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2314  202.0762  243.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1203  202.1616  242.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <CHROM.1>
-99.06152874,170.08607810,-158.85332572,-85.24714702,70.38144873,-131.00444951
-157.80770873,55.27356299,131.76400521,179.37362516,207.99218023,200.10766983
244.87197976,-2.48535374,0.26298087,1.05313727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448874/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.1435

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.378947

>  <SCORE.INTRA>
-15.5435

>  <SCORE.INTRA.DIHEDRAL>
-2.86436

>  <SCORE.INTRA.DIHEDRAL.0>
11.3125

>  <SCORE.INTRA.POLAR>
0.127249

>  <SCORE.INTRA.POLAR.0>
-0.127249

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-14.544

>  <SCORE.INTRA.VDW.0>
9.14029

>  <SCORE.INTRA.norm>
-0.409039

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
-0.0300921

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  211.6141  202.6618  253.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5940  203.4613  252.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9840  204.2575  251.5548 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8166  205.3807  251.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9283  206.5786  252.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5662  203.3965  250.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2806  203.8299  249.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8056  203.9097  250.7547 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.1054  205.4898  251.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8485  206.3005  250.9427 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3479  205.7461  252.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2429  205.4726  254.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9064  204.4434  254.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7086  204.1704  256.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8663  204.9130  256.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2262  205.9193  255.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4241  206.1933  254.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6477  207.1111  252.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3509  208.3253  252.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6685  209.5446  252.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2814  209.5715  252.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5661  208.3760  252.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2430  207.1563  252.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
158.00279675,-73.01912160,145.17629342,-59.17717372,80.53830866,21.20582279
98.10436537,-116.56884464,-69.32379439,209.68067512,205.60411017,252.65732126
-0.25134741,-0.70177986,1.42012569

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448875/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.77551

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626087

>  <SCORE.INTRA>
-4.62449

>  <SCORE.INTRA.DIHEDRAL>
2.29813

>  <SCORE.INTRA.DIHEDRAL.0>
3.49356

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.77356

>  <SCORE.INTRA.VDW.0>
0.370282

>  <SCORE.INTRA.norm>
-0.201065

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.425022

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.153148

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  209.3160  199.6578  244.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1662  198.3468  243.7392 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4824  197.4612  244.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5421  196.6731  243.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7906  195.7223  244.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9853  195.5204  245.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9394  196.3137  246.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6867  197.2727  245.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1978  194.5432  246.5796 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4462  194.4663  247.8030 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7755  193.3974  248.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9928  193.2009  249.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4338  192.1075  250.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6494  191.1929  249.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4159  191.3744  248.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9768  192.4668  247.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
135.84530359,-179.02601955,179.10682317,206.84847782,195.06273353,246.72206981
-0.82970611,0.89698769,1.83170278

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448876/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.14993

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-1.25007

>  <SCORE.INTRA.DIHEDRAL>
-2.10113

>  <SCORE.INTRA.DIHEDRAL.0>
4.53125

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.199509

>  <SCORE.INTRA.VDW.0>
2.01995

>  <SCORE.INTRA.norm>
-0.0781297

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.44687

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002279

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  193.7215  224.4913  259.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1203  223.0938  260.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0141  222.2958  259.5681 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7364  223.0022  258.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2655  224.1853  258.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9694  224.5942  258.4975 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7228  225.8124  257.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8435  226.4172  257.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8931  225.3430  257.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0401  225.5239  257.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0503  227.6945  258.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1396  228.4314  258.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3413  227.9713  258.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8909  222.4531  258.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4085  221.0020  260.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5673  221.1094  261.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2902  221.2210  262.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3247  221.2517  263.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6524  221.1490  263.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9445  221.0166  261.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9066  220.9887  260.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9561  221.4051  265.0880 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.4779  228.8145  258.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2158  223.1006  257.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-81.44975905,179.94485991,-35.55204023,-178.98892103,94.76709752,195.96660167
223.58503938,260.11527840,2.33212573,1.14546470,-1.48934931

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448877/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.56152

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-6.83848

>  <SCORE.INTRA.DIHEDRAL>
-12.6021

>  <SCORE.INTRA.DIHEDRAL.0>
16.5158

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.537419

>  <SCORE.INTRA.VDW.0>
-0.592249

>  <SCORE.INTRA.norm>
-0.31084

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.0709781

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.104660

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  191.0110  217.4034  254.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2676  216.3474  255.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6901  216.6222  256.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7701  215.7564  257.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9602  217.9312  256.9928 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5918  219.0030  256.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6882  220.1453  256.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1254  218.7137  254.9582 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.4705  219.7770  254.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3548  220.5826  254.8649 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.6201  219.7012  255.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6227  219.9082  257.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9555  218.6618  255.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9630  221.7403  255.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9857  214.4247  254.6772 I   0  0  0  0  0  0  0  0  0  0  0  0
  192.2121  218.1275  257.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.4871  218.0941  255.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3739  222.3599  254.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7722  221.4074  256.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <CHROM.1>
117.25950402,-31.26247417,115.66469793,64.93462473,179.79579256,190.67268410
217.08377070,255.41758264,1.83720033,-0.67985358,0.33435176

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448878/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38662

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-3.01338

>  <SCORE.INTRA.DIHEDRAL>
1.14581

>  <SCORE.INTRA.DIHEDRAL.0>
4.53486

>  <SCORE.INTRA.POLAR>
-0.988651

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.224865

>  <SCORE.INTRA.VDW.0>
-1.30262

>  <SCORE.INTRA.norm>
-0.200892

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.425775

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006097

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  196.3648  224.0799  261.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5553  224.8586  261.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7304  224.2003  261.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8527  224.7580  261.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1145  224.1836  261.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2612  223.0318  260.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1485  222.4702  260.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8842  223.0633  260.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2947  221.3151  259.2714 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3237  220.3247  259.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3246  220.4248  260.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5190  219.1280  258.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6217  218.1234  258.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4861  218.0647  259.3303 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4465  217.0653  259.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0836  217.7423  259.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7352  218.5275  258.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5849  219.6820  258.0112 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5350  220.8417  258.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4622  221.6662  258.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0647  221.0358  257.0783 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5102  219.8436  257.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6775  219.0346  257.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9176  218.0624  256.9241 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4791  220.1375  257.6218 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3587  221.2700  258.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2105  222.1477  258.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3211  218.8994  259.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2895  220.1049  257.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-150.40611484,138.26345908,-139.10194914,68.47943016,-67.87949239,-73.02667807
198.55736048,220.91283523,259.17050244,1.04575392,0.13901838,0.50112814

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448879/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.16351

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.23649

>  <SCORE.INTRA.DIHEDRAL>
-1.6417

>  <SCORE.INTRA.DIHEDRAL.0>
13.6727

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.41563

>  <SCORE.INTRA.VDW.0>
0.606082

>  <SCORE.INTRA.norm>
-0.11987

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.302352

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  199.5063  202.5621  238.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2057  203.1781  239.5052 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5346  203.3376  239.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1367  203.0112  238.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1883  203.9688  240.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5756  204.1645  240.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2374  204.7141  241.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5205  205.0698  242.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1308  204.8846  242.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4704  204.3394  241.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3601  205.2059  243.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4364  204.1491  244.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6488  204.3372  245.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6877  205.3081  246.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6412  203.2144  245.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6933  203.1127  244.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1144  201.9708  243.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3611  201.0208  243.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3896  202.1085  242.8586 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0046  201.1883  241.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3924  201.2405  241.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0472  200.3119  241.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3169  199.3424  240.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9342  199.3074  240.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2842  200.2278  241.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9741  202.8428  243.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
0.39452834,177.71032722,-134.99279306,-178.32319179,-0.88598387,-60.84663854
102.45668588,118.33232800,-162.58021549,200.61765655,202.86940297,242.03555535
1.04240956,-0.69422414,-2.24245577

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448880/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.8627

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.576

>  <SCORE.INTRA>
-7.5373

>  <SCORE.INTRA.DIHEDRAL>
1.06188

>  <SCORE.INTRA.DIHEDRAL.0>
6.79399

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.66824

>  <SCORE.INTRA.VDW.0>
2.93847

>  <SCORE.INTRA.norm>
-0.301492

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.274508

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  192.4879  201.6017  242.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9223  201.0081  243.4341 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3697  201.8120  244.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8975  201.4969  244.9076 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6948  200.0013  245.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1516  199.1394  243.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6063  199.5070  243.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1845  199.2916  242.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1146  197.6538  244.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4123  202.2957  246.0226 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6869  203.4504  245.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3228  203.7652  244.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4122  204.3191  247.0208 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.6390  203.5444  248.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3055  204.4084  249.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2582  203.6066  250.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4839  202.8285  249.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2787  202.9408  247.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6769  204.9947  247.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7508  204.2527  248.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8561  204.8846  248.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9197  206.2736  248.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8944  207.0289  248.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7822  206.3954  247.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7262  202.0763  246.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  6  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
98.78739981,-58.29706072,-177.74712693,-64.45430411,190.48189950,202.70526111
246.25433255,-1.27246752,0.47842993,0.64193582

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448881/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.4966

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-0.903399

>  <SCORE.INTRA.DIHEDRAL>
-1.46907

>  <SCORE.INTRA.DIHEDRAL.0>
4.15707

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.168864

>  <SCORE.INTRA.VDW.0>
-3.05452

>  <SCORE.INTRA.norm>
-0.0376416

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.354025

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002994

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  185.5376  223.0943  257.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1848  223.9446  258.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0755  223.5221  259.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5852  224.7387  260.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4556  224.7079  260.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9016  225.8117  259.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9576  225.3179  258.6507 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0466  227.1840  259.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9864  227.6676  260.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1530  229.0528  260.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3207  229.9573  260.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3699  229.4766  259.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2416  228.1117  259.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3324  231.6774  260.4825 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.1656  229.2839  261.8907 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0072  230.4136  261.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5535  222.1759  259.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4271  221.9355  260.7063 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9057  220.6252  260.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6082  219.5921  259.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1715  218.3313  260.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0522  218.0916  261.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3687  219.1201  262.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7938  220.3820  261.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7879  217.0705  259.0404 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.9439  225.7773  257.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
179.97279917,2.32010260,143.52791322,8.25918771,187.97685002,224.50532996
260.16291598,1.41077797,0.74005118,-2.99835061

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448890/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.11514

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.28486

>  <SCORE.INTRA.DIHEDRAL>
-0.399112

>  <SCORE.INTRA.DIHEDRAL.0>
2.16564

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.0853

>  <SCORE.INTRA.VDW.0>
1.48635

>  <SCORE.INTRA.norm>
-0.0513943

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.324606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  201.6230  208.9217  257.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2152  210.2698  257.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5493  211.1791  256.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1671  212.4022  256.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3671  212.7102  256.8716 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9488  211.7461  257.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4131  210.5412  257.8412 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5489  212.0289  258.3169 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.5230  213.8214  258.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4221  214.2218  259.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6747  214.3994  260.7587 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1889  214.3369  258.9598 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0648  214.6343  259.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9518  214.9772  260.9325 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6184  215.1242  261.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7328  214.8828  260.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6062  214.5120  258.7959 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.4906  213.4347  255.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1645  213.6037  255.6719 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.0501  214.6715  255.5145 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.5613  213.1184  254.0774 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.0546  213.9856  258.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
46.86576759,30.89303707,61.34319873,97.42461179,7.40269227,202.50174188,213.17132707
257.93481238,-1.68745873,-0.50759014,0.95545898

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448891/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.85252

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-1.54748

>  <SCORE.INTRA.DIHEDRAL>
-1.4774

>  <SCORE.INTRA.DIHEDRAL.0>
6.29145

>  <SCORE.INTRA.POLAR>
-0.213285

>  <SCORE.INTRA.POLAR.0>
-0.733851

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0836075

>  <SCORE.INTRA.VDW.0>
-3.67911

>  <SCORE.INTRA.norm>
-0.0736894

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.421549

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  219.8178  190.8053  238.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6824  191.5253  237.8886 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.3454  190.7168  237.8009 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.2690  191.5372  237.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9547  190.7487  236.8984 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.4223  190.4211  238.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4506  189.5761  239.0693 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.7660  190.3645  239.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7161  188.2740  238.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2505  188.5954  236.8938 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2187  189.4426  236.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5633  189.3865  237.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4856  192.8246  238.5340 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4315  194.0076  237.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4896  194.0905  236.6101 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2699  195.2408  238.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2543  195.1919  240.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1291  196.3445  240.7807 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.0250  197.5599  240.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0476  197.6427  238.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1756  196.4750  237.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1054  196.2842  242.0464 O   0  5  0  0  0  0  0  0  0  0  0  0
  218.3146  192.8199  239.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 13  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2  18   1  22  -1
M  END
>  <CHROM.1>
-179.61994871,129.79290199,3.59069529,217.32491458,192.58527920,238.40662087
-2.04606860,0.88582933,0.68789766

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448893/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35751

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.04249

>  <SCORE.INTRA.DIHEDRAL>
-3.27799

>  <SCORE.INTRA.DIHEDRAL.0>
4.46489

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.596511

>  <SCORE.INTRA.VDW.0>
-0.112109

>  <SCORE.INTRA.norm>
-0.0473857

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.334432

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000053

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  209.4589  190.9100  247.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7624  190.5560  246.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7482  191.4886  247.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2936  191.6428  248.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2063  192.6563  248.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5747  193.5328  247.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0355  193.3882  246.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1118  192.3780  245.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5939  192.3007  244.6935 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1528  191.0307  244.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7875  191.2671  243.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8315  192.2643  242.3350 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3773  193.5246  242.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6903  193.4035  243.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6035  191.7978  241.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7416  190.8357  240.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2703  189.6221  240.9626 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2111  188.6539  241.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2764  188.5261  240.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9187  187.8560  242.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4411  187.5050  242.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2263  186.9920  244.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6294  185.5984  244.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1445  185.0976  242.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0264  186.3246  241.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5739  188.7387  242.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9176  189.5046  241.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0515  190.0786  240.5585 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
76.34484755,-29.06808820,78.86673617,-60.46840434,-68.66759897,210.12943013
190.24295931,243.72611686,0.22780378,1.04930092,2.09706668

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448894/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.082

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-2.318

>  <SCORE.INTRA.DIHEDRAL>
2.11202

>  <SCORE.INTRA.DIHEDRAL.0>
7.4532

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.37401

>  <SCORE.INTRA.VDW.0>
2.36327

>  <SCORE.INTRA.norm>
-0.0827855

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.288643

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000732

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  195.6374  207.2277  255.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4432  206.7734  254.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6584  208.1505  254.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8707  208.4397  255.5138 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0794  209.5152  256.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2362  211.0987  255.8314 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.0909  209.1363  257.7149 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1584  208.2731  258.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6614  206.8241  258.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3879  206.7883  259.2833 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.6342  207.1150  260.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3124  207.7270  258.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8790  209.1430  258.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8346  205.3875  259.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2748  204.8050  258.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9561  204.5373  257.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8086  203.9637  256.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0247  203.8162  255.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3249  204.3499  256.9097 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.2332  203.0924  254.2510 Br  0  0  0  0  0  0  0  0  0  0  0  0
  198.7097  208.0313  255.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
-93.24463840,-71.77395463,66.24604479,-69.23845155,-110.47543921,196.91696048
206.23761970,256.42245129,-0.10367780,-1.29087164,-1.35906166

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448895/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.04028

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-3.35972

>  <SCORE.INTRA.DIHEDRAL>
0.0989745

>  <SCORE.INTRA.DIHEDRAL.0>
2.4156

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.40921

>  <SCORE.INTRA.VDW.0>
-1.75488

>  <SCORE.INTRA.norm>
-0.176827

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.370541

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000665

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  186.4387  201.9977  263.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3119  200.7907  264.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0275  199.6504  263.5392 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2518  199.9663  262.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3556  201.1279  261.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5985  202.3076  262.5534 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1388  203.4752  262.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8252  203.6059  260.9934 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8788  204.9738  262.9501 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.9619  202.7070  260.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.5571  205.7626  262.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-179.44499829,186.97729290,202.33527433,262.73442458,1.68376712,-1.41302166
3.08982176

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448896/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.11552

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.284485

>  <SCORE.INTRA.DIHEDRAL>
-0.572344

>  <SCORE.INTRA.DIHEDRAL.0>
0.57281

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00168704

>  <SCORE.INTRA.VDW.0>
-0.0491005

>  <SCORE.INTRA.norm>
-0.0316094

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.679502

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.233273

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  191.2999  214.1063  254.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0969  212.6027  254.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8177  212.3237  254.2210 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4763  210.9967  254.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1528  210.7456  253.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6721  209.4508  253.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5230  208.3734  253.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8476  208.5989  254.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3234  209.9116  254.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7442  207.4583  254.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9259  207.5473  255.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8588  206.3977  255.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6052  205.2658  254.8465 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0246  206.7815  255.8636 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0583  208.0353  256.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6230  208.9478  255.7521 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.1066  208.6678  256.8137 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.1627  210.0908  257.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4313  210.7209  256.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6071  210.0304  257.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5609  208.6485  256.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3220  207.9385  257.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2904  211.7816  253.5036 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8128  212.5898  253.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.66392244,171.27624812,-0.33602035,-166.13842211,179.49441759,192.27120719
209.40944677,255.26529624,-2.87601295,0.37087443,-3.11385298

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448897/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.17993

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-4.22007

>  <SCORE.INTRA.DIHEDRAL>
-11.867

>  <SCORE.INTRA.DIHEDRAL.0>
12.8628

>  <SCORE.INTRA.POLAR>
-0.000454659

>  <SCORE.INTRA.POLAR.0>
-0.335862

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.71496

>  <SCORE.INTRA.VDW.0>
0.309911

>  <SCORE.INTRA.norm>
-0.183481

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.225214

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000611

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  220.6176  185.9610  251.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9011  186.8959  252.2134 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.1885  187.0598  252.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1672  186.2675  251.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7296  185.3493  251.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4637  185.1274  250.6362 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.8622  184.7173  250.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.9227  185.2804  251.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5374  186.2192  252.1097 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0153  183.6635  249.6248 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.2127  182.2228  250.1171 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.9170  181.4668  248.8238 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.7317  182.2697  248.2646 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.9104  183.6460  248.6966 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5911  182.2308  246.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3335  182.7418  246.3191 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2091  184.4439  246.6022 P   0  0  1  0  0  0  0  0  0  0  0  0
  220.1114  184.5381  245.5327 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3244  184.1442  247.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0847  186.1461  246.8853 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0249  186.6887  247.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0199  186.0888  248.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7076  188.1432  248.0514 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.4165  188.2367  248.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0996  189.5889  249.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8608  188.7668  248.7523 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.0712  181.4820  247.9745 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3022  181.7809  251.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4924  188.0145  253.5582 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.9482  184.2425  248.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.2790  189.5812  249.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.6659  188.6939  248.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.1166  188.1712  249.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.8219  181.0400  248.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.3789  182.3484  251.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.0208  188.7879  253.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.7874  187.6187  254.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  1  0  0  0
 12 13  1  0  0  0  0
 12 27  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  6  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 27 34  1  0  0  0  0
 28 35  1  0  0  0  0
 29 36  1  0  0  0  0
 29 37  1  0  0  0  0
M  END
>  <CHROM.1>
-111.87784238,-101.55376329,-60.04110665,61.47028239,167.41133786,68.35689259
158.35617186,100.74404957,71.83758187,9.75511215,64.73576159,-179.67540975
58.27685202,-179.45463209,222.33285192,185.10424595,249.22235270,-1.81471479
0.96332365,-2.35790189

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448898/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.52081

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.531034

>  <SCORE.INTRA>
-8.87919

>  <SCORE.INTRA.DIHEDRAL>
-7.21663

>  <SCORE.INTRA.DIHEDRAL.0>
15.3081

>  <SCORE.INTRA.POLAR>
-0.510183

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0.0289848

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.68118

>  <SCORE.INTRA.VDW.0>
-3.31606

>  <SCORE.INTRA.norm>
-0.306179

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.224855

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001545

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  207.0856  190.2668  255.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5982  189.2184  254.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4552  188.1688  254.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1917  188.0909  252.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0631  187.0172  252.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8057  186.9338  250.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6796  185.8599  249.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4252  185.7699  248.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3090  184.7008  247.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0620  184.6030  246.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9192  183.5479  245.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7325  183.7619  244.6836 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-120.83891625,-179.78133830,-179.98146910,179.97561545,179.91232722,179.61625358
179.98075753,-179.73058625,-120.09921496,208.38960686,186.46423533,250.11276283
1.93063582,-0.70392248,1.28912516

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448899/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.8765

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-0.52345

>  <SCORE.INTRA.DIHEDRAL>
-0.000828237

>  <SCORE.INTRA.DIHEDRAL.0>
1.09938

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.523036

>  <SCORE.INTRA.VDW.0>
-0.680346

>  <SCORE.INTRA.norm>
-0.0436209

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
1.15638

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048287

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  201.7867  201.0757  240.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6627  200.6641  241.9798 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0087  200.2416  241.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1302  198.7350  241.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0777  197.9652  242.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6728  197.6369  243.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5976  198.6994  242.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1168  200.1279  243.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9893  200.6849  244.3092 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3872  201.9965  244.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2871  202.5753  245.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8482  201.8301  246.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5500  201.2659  247.8583 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6602  203.9310  245.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9329  205.0471  246.1638 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1729  202.7143  243.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5651  202.5806  243.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2844  203.3749  242.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6146  204.2421  241.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2223  204.3411  241.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5055  203.5881  242.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4139  205.0020  240.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1245  204.8716  239.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  3  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-178.46307989,-83.76687667,124.64120726,203.18367899,201.85625798,243.17779429
-2.67434551,1.13969766,0.50655952

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448900/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0516793

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-8.45168

>  <SCORE.INTRA.DIHEDRAL>
-18.4446

>  <SCORE.INTRA.DIHEDRAL.0>
35.2848

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.770607

>  <SCORE.INTRA.VDW.0>
-1.42625

>  <SCORE.INTRA.norm>
-0.367464

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.00224693

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000193

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  203.3708  192.6849  240.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3706  191.9082  239.4894 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6466  190.8128  238.3223 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.8022  191.3760  236.8470 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.3827  189.6917  239.2523 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7438  188.4513  238.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7395  190.0239  237.8991 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.6904  191.5069  237.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8755  192.4479  236.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7887  192.7765  236.0522 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0091  193.5385  234.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1890  194.0177  234.6302 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2068  193.6269  235.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1090  192.8500  236.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4663  194.0839  235.0489 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9201  193.8814  234.2203 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5620  195.0618  235.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1687  193.4582  235.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0548  193.7859  234.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0836  194.7386  233.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <CHROM.1>
-47.11022529,175.50855425,41.66602579,71.31622898,125.83937943,20.30859269
72.42646282,201.53172400,191.82437468,237.17548580,-0.91748833,-0.15927307
-0.72750849

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448901/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.14723

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.775

>  <SCORE.INTRA>
-4.25277

>  <SCORE.INTRA.DIHEDRAL>
-2.20109

>  <SCORE.INTRA.DIHEDRAL.0>
4.8261

>  <SCORE.INTRA.POLAR>
-0.999009

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.244404

>  <SCORE.INTRA.VDW.0>
-3.09451

>  <SCORE.INTRA.norm>
-0.265798

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.509202

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000118

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  192.9985  228.6092  254.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5017  228.2599  254.2285 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1005  229.2877  255.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8098  228.9616  256.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1605  227.5253  257.1129 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.3739  226.5642  256.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7479  226.8261  254.7737 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2362  225.7602  253.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2977  225.6869  252.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4158  227.0213  251.9803 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.2644  228.3472  252.8317 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8838  229.5556  251.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3773  229.3749  250.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5955  228.2430  249.8318 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.5650  226.9492  250.6890 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1223  225.8169  249.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9430  226.2691  248.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1992  227.7400  248.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7244  228.4450  247.6888 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1695  228.7059  249.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5728  227.3059  257.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7828  226.4016  257.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  6  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  6  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
178.21130945,194.87085061,227.68144976,252.57949636,1.43889977,-1.42957239
1.44354986

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448902/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.13953

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.257143

>  <SCORE.INTRA>
-1.26047

>  <SCORE.INTRA.DIHEDRAL>
-1.44232

>  <SCORE.INTRA.DIHEDRAL.0>
1.46573

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.539316

>  <SCORE.INTRA.VDW.0>
0.481089

>  <SCORE.INTRA.norm>
-0.0600226

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.19712

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001727

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 23  0  0  0  0  0  0  0  0999 V2000
  190.3203  213.0092  248.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5478  213.5890  249.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5262  214.1650  248.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0835  214.7330  249.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1300  215.1986  250.8378 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7303  216.3621  251.8629 P   0  0  0  0  0  0  0  0  0  0  0  0
  190.4957  216.1536  252.6673 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0608  216.6393  252.6927 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6465  217.6814  250.9665 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2081  212.5063  249.9574 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.4259  212.0405  251.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2051  212.0609  251.3202 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2568  211.5574  252.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7220  211.0411  253.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1556  211.8795  254.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8579  213.3211  254.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7204  214.1757  254.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5413  213.5864  254.2022 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5472  211.3317  249.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2750  215.8878  253.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9004  217.6031  250.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2328  211.3972  251.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3375  214.5161  253.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.9938  210.7158  249.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  1  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <CHROM.1>
172.25217175,-69.20123320,-178.81185976,48.51293189,-68.86551175,66.62775456
27.02212932,177.26511658,-116.16148379,51.00203548,-113.80267563,-177.34704423
191.70022732,213.95607070,251.56478174,2.51356248,1.53866973,2.70884644

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448903/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.82435

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.705263

>  <SCORE.INTRA>
-10.5756

>  <SCORE.INTRA.DIHEDRAL>
-0.60313

>  <SCORE.INTRA.DIHEDRAL.0>
6.13441

>  <SCORE.INTRA.POLAR>
-2

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.47408

>  <SCORE.INTRA.VDW.0>
-0.435412

>  <SCORE.INTRA.norm>
-0.556613

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.14865

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.032779

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  201.4373  204.8678  240.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7005  205.5451  241.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2749  206.6229  241.5248 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2199  204.8495  242.5295 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3736  205.3499  243.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0936  205.9860  244.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8694  207.3394  243.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4931  207.1341  242.3410 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7666  208.3238  241.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5180  208.0477  240.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0816  209.1445  239.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5749  208.9529  238.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2664  209.0178  240.1978 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4659  209.8435  240.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5978  210.7307  241.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9586  209.8824  242.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7855  209.1774  243.0506 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8067  203.9373  242.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4960  206.9177  242.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5170  208.0779  240.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0530  208.5891  243.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4369  208.5471  242.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <CHROM.1>
101.58450337,-73.33626588,70.98278217,-158.01790055,173.60532865,-167.17279899
81.43051058,-60.64277701,-135.43011488,138.45521341,70.58148912,-77.30716570
177.82472803,201.44489704,207.68256100,241.58898744,2.19614495,0.82734114
2.12418965

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448904/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.2687

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08235

>  <SCORE.INTRA>
-7.13129

>  <SCORE.INTRA.DIHEDRAL>
9.69102

>  <SCORE.INTRA.DIHEDRAL.0>
1.12147

>  <SCORE.INTRA.POLAR>
-2.51228

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.43504

>  <SCORE.INTRA.VDW.0>
-1.1178

>  <SCORE.INTRA.norm>
-0.419488

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.662865

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013228

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  212.8128  189.2844  238.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8598  191.0509  238.5048 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.4211  191.1323  237.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1937  192.5742  236.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8754  193.4444  238.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8154  193.4737  238.7572 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9573  194.4208  238.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0876  194.2825  238.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5026  195.5294  239.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9916  195.3699  240.7808 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4973  194.0681  241.5644 P   0  0  0  0  0  0  0  0  0  0  0  0
  212.0159  192.7628  241.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8424  194.3733  243.0898 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9096  194.1527  241.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4913  193.6747  243.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5552  194.0348  240.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
177.25807654,-62.34123527,-74.77978618,-14.99532511,107.57339510,-63.27054313
68.98490817,173.90398601,68.14391823,211.70027110,193.18499483,239.65032722
-0.96763877,-1.25523494,1.38956176

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448905/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.42143

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.885714

>  <SCORE.INTRA>
-12.8214

>  <SCORE.INTRA.DIHEDRAL>
-16.8336

>  <SCORE.INTRA.DIHEDRAL.0>
19.7267

>  <SCORE.INTRA.POLAR>
-0.999347

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.00684

>  <SCORE.INTRA.VDW.0>
-1.45501

>  <SCORE.INTRA.norm>
-0.915816

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
-0.0301021

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.403830

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  195.1711  216.9477  243.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6959  215.8684  244.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5148  215.9898  245.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9945  215.0190  246.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8534  213.8300  246.3644 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7777  213.5376  244.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4126  214.6891  243.8818 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.6516  215.1465  243.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5101  214.1256  242.9101 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2828  213.7320  246.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3581  214.3696  246.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4710  212.8773  248.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7109  213.8578  243.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-84.12906130,-59.95482260,196.79292044,214.66595815,245.23007274,2.31644646
0.68670135,-1.60332935

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448914/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79445

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.605547

>  <SCORE.INTRA.DIHEDRAL>
-0.571177

>  <SCORE.INTRA.DIHEDRAL.0>
1.60915

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.319959

>  <SCORE.INTRA.VDW.0>
0.164392

>  <SCORE.INTRA.norm>
-0.0504623

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.482871

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000993

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  198.1632  203.7993  240.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8523  204.1053  239.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9776  204.5171  238.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8555  204.7526  237.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5880  204.6026  238.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4329  204.2362  239.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5369  203.9694  240.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3201  203.6286  241.9181 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5466  202.5490  242.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4294  202.3160  243.6971 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0386  203.0810  244.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8940  202.7944  246.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5579  203.5760  246.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3621  204.6448  246.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4832  204.9539  245.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8121  204.1699  244.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9078  204.4576  242.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4872  205.4799  242.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8086  201.5423  241.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9514  200.5852  240.3769 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.9041  199.6691  241.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7178  198.7263  241.3397 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1927  198.0662  242.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5765  198.8711  243.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7106  199.7978  243.0194 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0860  200.4725  243.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-124.83867419,62.08212273,64.00716961,170.57895616,195.73861278,202.60590795
242.15997900,1.55062819,1.56625062,-1.39719322

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448915/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.34991

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-7.05009

>  <SCORE.INTRA.DIHEDRAL>
-1.12767

>  <SCORE.INTRA.DIHEDRAL.0>
10.971

>  <SCORE.INTRA.POLAR>
-0.99961

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.08759

>  <SCORE.INTRA.VDW.0>
-0.318113

>  <SCORE.INTRA.norm>
-0.282004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.0939962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  196.4732  222.4987  256.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3208  222.0977  255.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7170  222.2426  254.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2071  223.5960  254.0751 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3482  224.0043  254.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0097  223.8885  256.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5349  224.3849  253.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5477  223.9399  252.5533 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0687  225.8044  252.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9728  227.0398  253.6821 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.7764  226.3991  255.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5954  226.7745  256.3224 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4202  226.2491  257.5967 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4353  225.3539  257.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5759  224.9689  256.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7510  225.4965  255.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3387  224.8379  259.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3320  223.9274  259.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2507  223.4444  260.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1767  223.8637  261.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1809  224.7561  261.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2615  225.2377  260.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1016  223.3981  263.1310 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-105.35115160,48.73981615,92.04957860,178.43940287,195.06906723,224.63119610
256.81203597,-1.04785832,-1.24238089,2.19638045

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448916/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.00858

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-4.39142

>  <SCORE.INTRA.DIHEDRAL>
-1.04183

>  <SCORE.INTRA.DIHEDRAL.0>
4.58985

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.87051

>  <SCORE.INTRA.VDW.0>
-0.465081

>  <SCORE.INTRA.norm>
-0.190931

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.217764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000460

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  215.8072  182.4130  249.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8708  182.0638  251.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6110  180.8459  251.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7033  180.4577  252.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4212  179.3029  252.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9825  178.4944  251.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8534  177.5012  252.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2890  177.1682  253.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2980  176.3580  253.6929 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8194  175.9698  255.1744 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.7329  175.4436  255.9782 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0700  175.2333  255.0739 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2526  177.5389  255.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9075  178.5109  255.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3454  179.6244  255.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1690  179.8042  257.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5307  178.8597  257.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0688  177.7060  257.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7201  180.9924  257.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2599  181.5395  256.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8577  182.6054  256.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0312  180.7201  255.4009 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4737  177.8052  254.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6114  178.7884  254.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1852  181.1497  253.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3471  180.9200  254.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-179.75682838,-179.31899152,54.52763632,-40.50889126,219.91690745,178.95102031
254.56238409,-2.84687905,0.68006038,3.08396638

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448917/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.5084

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.8916

>  <SCORE.INTRA.DIHEDRAL>
-2.89388

>  <SCORE.INTRA.DIHEDRAL.0>
3.91632

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.444663

>  <SCORE.INTRA.VDW.0>
-0.648831

>  <SCORE.INTRA.norm>
-0.0756641

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.300336

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000539

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  184.8299  208.0283  254.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0225  208.6496  255.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5934  207.6758  256.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7174  208.2419  257.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2974  207.4428  258.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9608  206.3051  258.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5027  208.1046  258.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2651  207.3841  259.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4420  207.9271  260.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8602  209.1944  259.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1012  209.9221  258.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9247  209.3814  258.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-179.70709102,-179.73397316,1.02125007,-176.64614528,188.67799717,208.15770844
257.91437018,-2.92742930,0.60759804,2.61390651

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448918/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.25873

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-4.14127

>  <SCORE.INTRA.DIHEDRAL>
-8.6189

>  <SCORE.INTRA.DIHEDRAL.0>
8.70603

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.168178

>  <SCORE.INTRA.VDW.0>
0.404653

>  <SCORE.INTRA.norm>
-0.345106

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.438227

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.214024

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  207.2116  208.8095  244.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7619  208.8862  244.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7156  209.1639  242.8692 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3718  209.2387  242.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3604  209.5637  240.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0640  208.4883  240.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5075  208.4944  240.3541 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1653  207.3208  239.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3927  207.5584  238.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2042  206.6660  237.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8638  208.8391  237.9702 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9397  209.8946  237.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1107  209.8179  236.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1149  210.7632  236.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9547  211.8046  237.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8046  211.9097  238.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8302  210.9768  238.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7148  211.2026  239.7511 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9843  210.4706  239.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1016  209.9152  241.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9447  210.9479  242.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6639  211.5767  242.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4822  212.2126  240.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6420  208.4450  241.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.6098  208.8060  237.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.57652689,178.88969499,61.24058634,-67.89840146,169.65386554,79.07978329
-138.94182209,-86.55353386,-66.88442703,9.73496855,206.73374912,209.72524306
240.12217461,1.37752921,1.20884040,1.77459316

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448919/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.3855

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.669565

>  <SCORE.INTRA>
-7.0145

>  <SCORE.INTRA.DIHEDRAL>
-2.58926

>  <SCORE.INTRA.DIHEDRAL.0>
6.28602

>  <SCORE.INTRA.POLAR>
-0.684486

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.39261

>  <SCORE.INTRA.VDW.0>
-1.71705

>  <SCORE.INTRA.norm>
-0.304978

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.364587

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  218.6916  191.1547  248.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1316  190.6501  249.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1915  189.3845  249.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6941  190.4179  247.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2044  190.1620  247.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6905  189.9308  246.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2014  189.6668  246.0309 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.5970  188.3123  246.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5988  189.7511  244.5311 C   0  0  2  0  0  0  0  0  0  0  0  0
  226.1011  189.5513  244.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2118  189.8387  242.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3650  191.1075  242.6064 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.2970  191.0924  243.7660 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.8801  191.1431  243.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7214  192.3248  242.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7277  192.3075  241.0070 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.7594  191.1461  241.1818 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.7993  191.0965  240.1648 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.4781  191.6587  238.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6909  191.2477  238.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1233  192.9843  238.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6708  193.8052  239.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2134  193.7523  240.4554 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.0608  194.9440  241.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1983  195.0128  242.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4875  195.1795  241.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6747  194.6508  240.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2160  194.1449  239.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5044  192.2862  244.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6682  191.4549  240.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  1  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
169.38198524,179.57978186,179.70329910,68.50657129,177.91535541,223.96028336
191.64478722,243.30249492,2.17709976,-0.74050773,2.37402307

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448920/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.62219

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-0.777807

>  <SCORE.INTRA.DIHEDRAL>
0.738968

>  <SCORE.INTRA.DIHEDRAL.0>
0.170854

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14729

>  <SCORE.INTRA.VDW.0>
2.22492

>  <SCORE.INTRA.norm>
-0.0268209

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.3318

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000598

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  199.8653  202.0640  254.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2687  203.2475  255.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4519  204.3927  254.2928 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8382  205.5427  254.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0136  205.6584  256.1007 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0256  206.6447  253.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6744  207.7810  254.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6337  208.9504  253.5103 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1592  208.8521  252.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5074  209.8642  251.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0782  208.9321  250.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4046  207.6616  250.5041 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6700  207.7009  251.7124 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4178  206.4946  252.5268 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8631  205.2676  251.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8705  204.4456  251.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2011  203.3072  250.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5304  202.9364  250.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5256  203.6979  250.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2190  204.8642  251.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3904  205.5548  252.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3924  206.9129  252.2249 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.4666  205.2518  253.6074 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.5829  205.1690  251.7450 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.4324  210.5295  250.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5363  211.6524  249.9180 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2747  209.8512  250.1990 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6867  207.8268  255.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7747  207.5892  249.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0694  208.9533  250.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5547  210.3321  249.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <CHROM.1>
-178.94550977,-1.20010643,-166.13830319,149.99247285,129.94028037,-43.33761324
201.45909824,206.45132543,252.41649739,0.56041407,1.50466121,-2.53690064

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448921/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.14948

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-6.25052

>  <SCORE.INTRA.DIHEDRAL>
-4.18165

>  <SCORE.INTRA.DIHEDRAL.0>
13.1273

>  <SCORE.INTRA.POLAR>
-0.303258

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.12862

>  <SCORE.INTRA.VDW.0>
-1.64355

>  <SCORE.INTRA.norm>
-0.223233

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.18391

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001257

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  207.3991  194.4162  249.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0022  193.1287  249.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1736  192.8693  247.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7524  193.8086  246.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1765  195.0256  247.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0899  195.4031  248.7167 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.4180  195.6138  249.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7039  196.2059  246.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5013  196.3339  245.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3160  197.1854  247.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8075  193.3271  245.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5545  193.8534  244.5142 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9416  192.1358  244.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5810  192.4589  244.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7781  193.2587  245.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8771  192.8071  246.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1620  194.5500  245.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8572  196.2710  248.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6110  197.9511  246.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6640  195.0880  246.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  1  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
-161.24931939,19.19573752,-176.91610715,-177.63163327,95.15676049,-60.27526168
-103.16030497,-179.71363477,207.31809164,194.32749810,246.64472153,0.51332766
0.73865476,1.62900959

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448930/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.79902

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-7.60098

>  <SCORE.INTRA.DIHEDRAL>
-4.57223

>  <SCORE.INTRA.DIHEDRAL.0>
10.3089

>  <SCORE.INTRA.POLAR>
-0.220837

>  <SCORE.INTRA.POLAR.0>
-0.432065

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.56402

>  <SCORE.INTRA.VDW.0>
3.20925

>  <SCORE.INTRA.norm>
-0.447117

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.164648

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000760

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  220.0509  183.8921  253.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6787  183.2332  253.1349 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.6023  183.3021  251.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5757  182.4507  250.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1367  182.4610  251.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6729  181.2871  252.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3787  180.9890  253.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8641  180.7102  253.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8668  181.8116  253.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5590  183.9871  253.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3626  185.4713  253.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8858  186.0732  252.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4620  185.6710  251.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9089  186.2358  250.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3976  185.8041  250.4562 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.4552  184.2683  250.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1499  183.4851  250.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1284  183.9514  249.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9858  184.8329  249.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2304  186.0538  250.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1414  185.8544  251.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6007  186.2636  251.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9682  186.4916  249.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  2   2   1  15   1
M  END
>  <CHROM.1>
61.49065536,66.31124460,65.39208343,179.91264211,-178.10551604,-63.32810340
215.18480793,184.11885761,251.69562791,-0.35960895,-0.38668837,-0.02626162

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448931/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.97169

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-2.42831

>  <SCORE.INTRA.DIHEDRAL>
-2.05103

>  <SCORE.INTRA.DIHEDRAL.0>
2.43749

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.40279

>  <SCORE.INTRA.VDW.0>
2.37706

>  <SCORE.INTRA.norm>
-0.105579

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.390074

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.174522

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  206.3335  222.4940  259.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1314  221.5606  259.3847 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.6514  221.4984  257.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5036  222.2126  257.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0419  222.1563  256.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7217  221.3939  255.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8770  220.7025  255.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3406  220.7592  256.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4956  220.2392  259.8315 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4679  219.3547  259.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3072  219.6118  259.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9245  218.0108  260.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5306  218.1241  261.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4926  218.5191  262.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0227  219.9446  262.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6806  220.2127  262.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2432  221.5260  262.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1388  222.5859  262.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4723  222.3311  262.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9139  221.0186  262.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-102.76448236,174.23917501,0.21564911,59.01887897,66.61215334,-69.95040576
116.61696629,204.33843285,220.68561822,259.90922688,1.48688684,1.18430818
-1.28123072

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448932/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.22296

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-4.17704

>  <SCORE.INTRA.DIHEDRAL>
-1.77198

>  <SCORE.INTRA.DIHEDRAL.0>
5.02914

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.29105

>  <SCORE.INTRA.VDW.0>
0.228356

>  <SCORE.INTRA.norm>
-0.208852

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.411148

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022516

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  214.9473  174.9078  243.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5647  176.2277  244.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9066  176.4797  243.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4999  177.6812  244.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7538  178.6390  244.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4051  178.4191  245.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8127  177.2177  244.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4269  179.8079  245.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5312  180.3710  244.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2707  179.9949  243.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7560  179.5576  242.6773 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5935  180.3346  243.8672 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8367  181.3477  244.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9295  182.0425  244.7583 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.0972  183.1845  245.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0584  184.0948  245.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2335  185.2162  246.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5053  185.5264  247.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5712  184.6707  246.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3648  183.5011  246.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7483  186.7446  247.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8428  187.0351  248.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6499  187.5076  248.1148 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4422  181.5208  245.8159 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.6062  179.7562  243.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7793  188.3163  248.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
29.02885775,-37.25649181,-179.91496893,-179.04871999,219.72064739,181.34121826
245.30911998,2.23823402,-0.39519569,-2.49825177

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448933/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.6237

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-5.7763

>  <SCORE.INTRA.DIHEDRAL>
-14.0707

>  <SCORE.INTRA.DIHEDRAL.0>
18.6856

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.25904

>  <SCORE.INTRA.VDW.0>
-0.959855

>  <SCORE.INTRA.norm>
-0.231052

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.104948

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000209

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  216.1314  205.8982  246.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1914  204.8782  247.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4321  204.7812  248.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7081  203.5494  248.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7833  202.8309  249.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3068  201.5922  248.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7267  201.0633  247.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6413  201.7425  246.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1042  202.9754  247.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9993  203.7899  246.7227 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9775  201.1048  245.6897 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3499  201.1735  245.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2792  203.3472  250.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6516  202.6355  251.4494 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5762  204.8048  251.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5278  205.7863  250.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4474  205.7491  249.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9364  206.5939  248.2977 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.7318  204.7035  248.5729 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6649  204.6780  247.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-168.66549004,-139.71788913,88.33768854,-61.76695082,-102.81587891,179.27412254
213.22173432,203.65586531,248.34538680,-0.67858945,0.81324666,0.23475713

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448934/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25903

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-4.14097

>  <SCORE.INTRA.DIHEDRAL>
-1.11824

>  <SCORE.INTRA.DIHEDRAL.0>
7.0238

>  <SCORE.INTRA.POLAR>
0.117611

>  <SCORE.INTRA.POLAR.0>
-0.117611

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.98172

>  <SCORE.INTRA.VDW.0>
2.30978

>  <SCORE.INTRA.norm>
-0.217946

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.329423

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  198.4052  220.4486  256.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1023  220.0997  255.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1822  219.8975  254.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1339  218.7503  253.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1744  218.4521  253.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2748  219.3061  252.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3059  220.4564  253.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2712  220.7559  254.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2790  219.0336  252.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4069  219.8012  251.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7832  220.9281  252.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9524  221.6261  252.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7860  221.1885  251.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4127  220.0834  250.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2275  219.3953  250.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9141  221.9365  250.8939 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1198  221.1919  250.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1101  218.2392  251.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
133.48836641,175.20893799,9.18009548,133.10002894,202.52564137,220.21842907
252.82694722,-2.88517822,-0.48255462,-2.35510009

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448935/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78468

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-2.61532

>  <SCORE.INTRA.DIHEDRAL>
-3.73557

>  <SCORE.INTRA.DIHEDRAL.0>
9.20616

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.74754

>  <SCORE.INTRA.VDW.0>
3.10539

>  <SCORE.INTRA.norm>
-0.153843

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.399099

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000410

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  206.9956  189.7300  251.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4635  189.3996  251.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5590  188.3508  252.9399 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8695  187.1763  252.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3922  187.4843  252.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1850  188.5623  251.2006 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5772  188.1630  249.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3069  189.2248  248.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0793  190.0701  248.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9610  189.1796  248.4655 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5486  190.2299  247.6088 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5165  191.5097  248.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6361  192.5619  247.3775 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8412  192.3942  246.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9341  191.1397  245.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8802  189.9686  246.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2416  188.8776  245.8411 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2034  190.9904  244.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4018  192.1272  243.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3207  193.3943  243.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0341  193.5232  245.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8775  191.9289  241.2515 I   0  0  0  0  0  0  0  0  0  0  0  0
  204.3726  191.7203  249.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9169  190.7278  250.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7899  191.0013  251.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0921  192.2687  252.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5227  193.2695  251.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6624  192.9968  250.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-63.43314958,94.06952137,172.45487276,-70.77177380,-17.41931000,205.66457098
190.87161816,246.88729372,-1.47730066,0.95318039,-1.39864740

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448936/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.41676

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-7.98324

>  <SCORE.INTRA.DIHEDRAL>
-12.8818

>  <SCORE.INTRA.DIHEDRAL.0>
15.3204

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.54232

>  <SCORE.INTRA.VDW.0>
-1.71295

>  <SCORE.INTRA.norm>
-0.285116

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0863129

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006691

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  208.1755  186.3604  249.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3168  186.6366  248.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5318  188.1240  248.5026 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6015  188.2712  247.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7852  187.9699  247.4732 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9916  188.7573  246.2515 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6780  189.0081  246.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8672  189.4877  245.7172 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3781  188.6156  247.7744 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6781  189.0723  245.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2638  187.7884  244.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7564  187.2490  243.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3961  187.2988  245.0322 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1086  186.0607  244.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2371  184.8069  244.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9857  183.4811  244.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2513  183.4653  245.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1788  184.6051  245.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4846  185.9634  245.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3291  186.1453  243.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4785  186.2297  241.9419 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8182  189.0272  249.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0571  188.9532  250.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3637  189.8131  251.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4350  190.7580  251.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1952  190.8389  251.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8905  189.9816  250.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8231  191.8398  253.1465 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.4456  188.7098  248.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6310  187.6520  245.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  3  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-173.09180870,71.90918218,64.50455068,105.55155964,-69.08137634,211.05253916
187.92227157,247.39244553,1.97560344,-0.53024456,1.19120032

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448937/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86604

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-3.53396

>  <SCORE.INTRA.DIHEDRAL>
-0.551753

>  <SCORE.INTRA.DIHEDRAL.0>
5.88744

>  <SCORE.INTRA.POLAR>
-0.64084

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.07923

>  <SCORE.INTRA.VDW.0>
-1.74881

>  <SCORE.INTRA.norm>
-0.126213

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.245216

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000735

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  205.7715  194.2946  240.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2702  193.6677  241.8305 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4447  192.9595  241.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3735  191.5515  241.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5469  190.8030  241.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7498  191.4541  241.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7943  192.8435  241.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6459  193.5973  241.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2793  190.6221  240.8547 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.0170  189.0979  241.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8135  188.6093  241.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5896  189.3284  241.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6793  188.6981  240.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2023  188.2320  241.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1297  186.8523  241.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2846  186.0674  241.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5105  186.6531  241.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5896  188.0278  242.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4415  188.8126  242.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0197  191.0569  242.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8419  190.3880  241.2402 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-114.47818631,98.10796921,-140.04690147,209.34342751,190.25556178,241.48461918
-2.56811853,0.00933679,3.09151702

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448946/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.50118

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.89882

>  <SCORE.INTRA.DIHEDRAL>
-0.0554004

>  <SCORE.INTRA.DIHEDRAL.0>
6.39212

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.87112

>  <SCORE.INTRA.VDW.0>
1.33995

>  <SCORE.INTRA.norm>
-0.0904202

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.30958

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001870

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  211.3220  182.4600  241.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6827  182.7306  242.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0883  183.9302  242.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1407  184.8690  243.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7763  184.5989  242.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3712  183.3915  242.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9690  186.7556  244.0415 Bi  0  0  0  0  0  0  0  0  0  0  0  0
  215.0042  186.7673  243.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0831  187.2881  241.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3005  187.2856  241.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4443  186.7598  241.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3725  186.2382  242.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1537  186.2411  243.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9241  188.3606  242.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6286  188.2250  242.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0695  189.2625  241.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7982  190.4336  241.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0860  190.5699  241.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6465  189.5347  242.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
24.80497515,82.05749397,32.88356114,213.04106635,186.67773258,243.13318277
1.20263049,0.01522789,3.05152746

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448947/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09378

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-0.30622

>  <SCORE.INTRA.DIHEDRAL>
-0.0217344

>  <SCORE.INTRA.DIHEDRAL.0>
2.39506

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.295353

>  <SCORE.INTRA.VDW.0>
-1.48437

>  <SCORE.INTRA.norm>
-0.0161169

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.425988

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028643

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  210.8535  205.7055  237.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9690  204.8659  238.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9692  203.4005  238.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0738  202.5632  238.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0739  201.0942  238.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2038  200.2383  239.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7376  199.6214  240.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9305  198.8187  241.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5795  198.5963  241.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7186  197.7385  241.9745 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.0885  196.2386  241.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0925  195.3739  242.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9113  195.8466  243.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3157  197.1069  242.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2344  197.9966  241.6672 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.9752  198.0200  240.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7352  199.1075  239.5453 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0450  199.2155  239.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8454  200.0341  239.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3237  196.7506  239.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4998  198.3453  239.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4588  193.9483  242.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4863  193.4690  242.3227 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5035  193.1843  243.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4523  198.2464  242.5073 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7247  192.2360  243.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.3939  198.4866  242.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 19  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
-179.75688897,-179.87020875,179.74090631,-90.46428339,-0.97933769,-2.09444882
176.83063280,206.49216310,198.59778912,240.68158520,-1.05784415,0.20851704
2.58692077

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448948/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.51683

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-1.88317

>  <SCORE.INTRA.DIHEDRAL>
-2.27969

>  <SCORE.INTRA.DIHEDRAL.0>
3.10963

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.743318

>  <SCORE.INTRA.VDW.0>
0.767033

>  <SCORE.INTRA.norm>
-0.0753266

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.340673

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002325

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  194.8157  215.8389  245.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7065  217.0128  246.0763 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.3738  217.0500  247.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9526  216.2434  248.6035 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5314  216.3409  249.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2105  215.6225  250.7939 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6053  217.3849  250.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0015  218.1684  249.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3442  217.9844  247.8695 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0033  219.1081  249.0881 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1943  217.3779  251.3846 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7564  216.9527  251.7447 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.6027  217.8502  250.9885 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8534  216.8831  253.1899 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0443  215.3239  251.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5758  214.9666  249.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8443  213.6810  249.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5798  212.7714  250.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0755  213.1440  251.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8222  214.4270  251.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8317  211.4095  249.6138 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.3913  211.1110  248.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4642  210.6400  250.3516 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.5891  218.5769  247.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6926  220.0483  249.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8254  218.8318  249.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8232  218.1098  252.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
-90.74293304,111.77707413,-89.55468602,58.90888818,42.18202811,196.71860377
215.68345748,249.64988966,2.82810435,-0.87132760,0.58718237

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448950/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.94561

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-3.45439

>  <SCORE.INTRA.DIHEDRAL>
-1.23926

>  <SCORE.INTRA.DIHEDRAL.0>
5.68342

>  <SCORE.INTRA.POLAR>
-0.462232

>  <SCORE.INTRA.POLAR.0>
-0.487444

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.26317

>  <SCORE.INTRA.VDW.0>
-2.59788

>  <SCORE.INTRA.norm>
-0.150191

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.301983

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  186.1110  212.1699  256.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3491  212.1008  257.9897 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.1626  212.2802  258.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7008  212.2245  259.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3814  210.9378  260.2493 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.9499  209.7054  259.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2722  208.9146  258.8792 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2871  209.5587  259.6717 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9693  211.0321  261.6059 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6522  208.7722  259.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.9529  210.7512  261.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.5474  210.3075  262.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
-178.58595321,58.72975845,58.95093420,-104.23220341,-83.51815499,179.77467920
188.04609496,211.08367099,258.94992354,-3.09413377,-0.89715579,0.69200070

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448951/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.60433

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.15556

>  <SCORE.INTRA>
-0.795668

>  <SCORE.INTRA.DIHEDRAL>
-0.0419114

>  <SCORE.INTRA.DIHEDRAL.0>
1.70057

>  <SCORE.INTRA.POLAR>
-0.146086

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.27802

>  <SCORE.INTRA.VDW.0>
-0.908257

>  <SCORE.INTRA.norm>
-0.0884076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.06715

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.336390

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  201.1814  191.2562  245.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0857  192.7004  245.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4095  193.1819  246.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3161  194.6349  246.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6448  195.1056  247.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5590  196.5607  247.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8578  197.0484  248.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0718  196.9454  249.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2749  197.3697  250.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2973  197.9012  249.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0778  198.0302  248.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8661  197.6097  247.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5487  198.3071  249.9372 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9406  198.2109  251.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2726  197.7774  252.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2278  198.6484  251.4623 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.8087  198.5813  252.8073 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1979  197.9098  252.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1931  196.4603  252.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8417  199.9427  253.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2009  200.6225  253.7001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.2270  198.6498  249.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7526  199.0672  250.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  6  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.88030627,179.88851533,179.85478087,179.85183142,-92.32220033,1.63754940
130.18465722,-62.86328693,60.08751088,206.94459772,197.12156098,249.87948259
-2.43420514,-0.42959901,0.43915944

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448952/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.9159

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.685714

>  <SCORE.INTRA>
-1.48408

>  <SCORE.INTRA.DIHEDRAL>
-0.227255

>  <SCORE.INTRA.DIHEDRAL.0>
2.39133

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.37045

>  <SCORE.INTRA.VDW.0>
-1.02932

>  <SCORE.INTRA.norm>
-0.0706703

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.615044

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000234

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  185.9594  226.5207  259.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9797  227.3896  260.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6463  227.0302  261.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2914  225.7919  261.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3025  224.9501  260.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6285  225.3042  259.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9999  225.4215  262.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5017  224.1246  263.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2690  223.2446  263.7649 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1208  224.0249  263.4275 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.4397  223.5720  262.2734 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.6770  222.2862  261.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3928  221.4394  262.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.8215  222.0417  260.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8983  220.9814  259.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9273  219.9427  259.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4870  218.6107  259.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4060  217.5540  260.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7742  217.8060  260.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2365  219.1208  259.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3118  220.1763  259.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8431  221.5303  259.9334 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.4869  222.2978  259.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6299  221.8228  260.8449 O   0  5  0  0  0  0  0  0  0  0  0  0
  183.6931  223.3355  260.4062 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.3604  224.2530  261.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7279  225.6979  262.2983 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.6059  224.6687  264.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
>  <CHROM.1>
123.16807509,132.30320703,83.68034841,63.10808668,128.42261327,186.22259430
222.98326813,261.03062453,1.75500134,-0.24738008,0.25795509

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448953/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.26371

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-7.13629

>  <SCORE.INTRA.DIHEDRAL>
-4.42173

>  <SCORE.INTRA.DIHEDRAL.0>
16.1699

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.92542

>  <SCORE.INTRA.VDW.0>
-3.107

>  <SCORE.INTRA.norm>
-0.264307

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.120878

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000030

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  187.4020  208.2162  248.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9474  209.3970  247.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0219  210.5643  248.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3288  211.8538  248.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2462  212.8258  249.2233 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0671  214.1399  248.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6981  213.9506  247.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6872  212.4796  247.0356 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.4668  211.8913  245.9180 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.7040  211.1043  246.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6710  209.8616  245.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6231  209.0920  245.4609 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4697  209.7723  244.8504 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6961  210.8960  245.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5858  211.0999  244.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0449  208.6396  244.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7903  208.6031  243.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3459  207.4544  242.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1448  206.3170  242.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3987  206.3385  243.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8516  207.4953  244.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6876  210.0083  249.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3077  210.6297  250.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8537  208.5269  249.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5439  207.6598  250.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8005  206.2229  250.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7682  205.7404  249.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0627  204.3772  249.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3840  203.4830  250.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4136  203.9541  251.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1225  205.3176  251.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6971  212.5655  250.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-44.56538792,179.04578733,23.08644071,187.56199233,209.03893767,247.32108029
2.38260317,-1.38438774,-3.04875194

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448962/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.91604

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.270968

>  <SCORE.INTRA>
-6.48396

>  <SCORE.INTRA.DIHEDRAL>
-14.1188

>  <SCORE.INTRA.DIHEDRAL.0>
17.1024

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.575419

>  <SCORE.INTRA.VDW.0>
-0.680465

>  <SCORE.INTRA.norm>
-0.20916

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.0618077

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006476

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  206.8602  181.0060  243.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3289  182.3401  243.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2213  183.0439  244.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0387  182.8367  245.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0370  183.5230  246.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2337  184.4619  246.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3721  184.6165  244.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3719  183.9338  243.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1642  185.0637  246.7120 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3208  186.0448  246.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.2662  184.9065  246.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
90.47730749,109.55014684,205.38461964,183.41781545,245.09139200,0.41528718
0.80946977,-1.39688741

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448963/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.0424

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.357597

>  <SCORE.INTRA.DIHEDRAL>
-0.246825

>  <SCORE.INTRA.DIHEDRAL.0>
1.35264

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.234184

>  <SCORE.INTRA.VDW.0>
-0.0950713

>  <SCORE.INTRA.norm>
-0.039733

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.782489

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000335

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  203.9680  196.3509  249.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2197  195.1079  250.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9173  194.3593  250.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1625  193.1097  251.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8537  192.3688  251.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0924  191.1217  252.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7845  190.3797  252.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0268  189.1330  253.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7258  188.3811  253.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9745  187.1447  254.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.92162884,-179.83396552,-179.84186828,-179.92621080,-179.91057406,-179.87139827
-179.79956402,201.97250106,191.74570457,251.98958173,1.15238260,-0.14187374
-0.57184806

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448964/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.4002

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
0.000217279

>  <SCORE.INTRA.DIHEDRAL>
0.000434817

>  <SCORE.INTRA.DIHEDRAL.0>
0.000105735

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-0.97248

>  <SCORE.INTRA.norm>
2.17279e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.24002

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014277

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  208.0996  213.1189  259.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4774  214.3136  258.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2022  214.5683  259.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5040  215.6162  258.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8947  216.2797  257.6679 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2143  215.7551  259.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1814  216.6321  258.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0200  216.4457  259.6938 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1816  215.4645  260.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7029  214.7050  260.5370 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.2095  214.9147  261.3466 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4882  213.7023  262.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4369  212.3781  261.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1643  211.2965  261.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2097  210.0664  261.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5248  209.8916  260.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7692  210.9394  259.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7167  212.1697  260.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9040  215.3854  261.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9916  214.8515  261.9188 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6030  216.6331  260.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5983  216.3930  259.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9604  215.4619  258.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0469  214.9029  258.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8771  215.2029  257.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6942  215.8653  257.6403 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7682  215.5437  256.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0085  214.6217  255.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1890  213.9742  255.5761 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1172  214.2832  256.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1420  217.6828  257.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-179.61694768,2.48788386,-175.13400203,171.69213415,-79.07209628,156.32755393
123.96396676,-63.04007602,-3.01968288,-0.62292785,201.46897254,214.53082031
259.32403448,-0.19362647,-0.13363019,-0.60722612

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448965/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.96637

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496774

>  <SCORE.INTRA>
-24.3664

>  <SCORE.INTRA.DIHEDRAL>
-56.1869

>  <SCORE.INTRA.DIHEDRAL.0>
59.8346

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00687975

>  <SCORE.INTRA.REPUL.0>
0.00687975

>  <SCORE.INTRA.VDW>
3.76149

>  <SCORE.INTRA.VDW.0>
-1.9297

>  <SCORE.INTRA.norm>
-0.786012

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
-0.289238

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000341

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  202.1374  205.6313  243.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7281  206.5482  244.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0580  206.9056  243.6337 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7575  207.7002  244.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3686  208.1729  245.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1077  207.9517  243.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6721  209.2294  244.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8092  209.5878  243.4294 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4345  208.6855  242.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6407  209.2495  241.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5894  208.1896  241.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7189  207.1662  240.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8272  206.4870  241.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8893  205.2752  241.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9687  207.3749  242.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7679  206.9606  243.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2138  205.5724  242.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8539  205.0373  241.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3471  203.7364  241.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1175  202.9648  242.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4251  203.4690  243.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0093  204.7377  244.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3885  201.2299  242.5657 Br  0  0  0  0  0  0  0  0  0  0  0  0
  211.4126  207.5190  242.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5719  208.8407  240.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0887  210.3619  244.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 16  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-178.38314199,-1.95849181,141.77971015,120.18220827,206.41125730,205.86573532
242.84204865,2.32704906,-0.43460945,-2.84195980

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448966/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.95584

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-5.44416

>  <SCORE.INTRA.DIHEDRAL>
-10.5175

>  <SCORE.INTRA.DIHEDRAL.0>
18.2727

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.1854

>  <SCORE.INTRA.VDW.0>
-1.60039

>  <SCORE.INTRA.norm>
-0.209391

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.152148

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000268

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  184.3298  211.8266  256.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9113  211.8464  258.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8418  210.8791  259.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3775  211.8399  255.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8490  212.8488  255.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7881  210.6001  255.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4815  210.5768  254.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-110.96548915,-89.75797181,-179.19075591,185.21726635,211.60776719,256.82474104
2.52324324,-1.22514920,2.68888276

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448967/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.99835

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-1.40165

>  <SCORE.INTRA.DIHEDRAL>
-0.16935

>  <SCORE.INTRA.DIHEDRAL.0>
2.83772

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.31698

>  <SCORE.INTRA.VDW.0>
0.829633

>  <SCORE.INTRA.norm>
-0.233608

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
0.999725

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.117660

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  195.3576  212.7506  249.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2311  211.6171  249.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5603  211.8988  249.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4183  211.9143  250.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7242  212.3652  250.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2186  212.7183  248.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4034  212.5906  247.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0653  212.1772  247.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4116  212.1490  246.6932 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6444  210.9874  245.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3069  209.6673  246.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9390  209.6882  247.1286 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8810  209.2046  246.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2429  209.9034  245.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5864  207.7107  246.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6408  207.3978  248.0566 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.6502  208.1104  249.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0355  207.9445  249.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7536  208.6215  250.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0956  209.4701  251.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7220  209.6495  251.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0021  208.9691  250.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7748  210.1413  252.2542 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.4609  208.4117  250.5188 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.7159  210.3390  247.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
105.92875479,-101.09412469,56.17928617,53.03913736,92.76409995,-87.97863181
79.78440958,-55.38839436,-44.47568373,196.53098182,210.02685569,248.83665279
0.01835145,-0.73488800,-1.22192220

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448968/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.93436

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-10.4656

>  <SCORE.INTRA.DIHEDRAL>
8.19667

>  <SCORE.INTRA.DIHEDRAL.0>
5.94976

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.164

>  <SCORE.INTRA.VDW.0>
4.78773

>  <SCORE.INTRA.norm>
-0.436068

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.163932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  213.6164  183.3659  245.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1792  184.5891  244.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2936  184.1776  244.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9271  185.1696  243.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5871  184.7582  242.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3000  185.6821  241.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3173  187.0376  241.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7084  187.4305  243.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0139  186.5004  243.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9731  187.9019  241.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3354  189.1674  241.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0603  189.9592  240.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9870  185.1709  240.3943 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.3562  184.9626  240.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7948  183.8486  240.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1083  186.0599  240.7429 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8674  186.0379  241.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1237  186.1508  243.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7521  186.1502  244.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1357  186.0666  244.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8825  185.9835  243.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2691  185.9735  241.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1972  185.9545  240.9926 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8076  186.2829  239.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6880  185.5288  239.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5497  186.8935  240.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.40627357,-153.60696641,-102.94831319,-161.33114339,179.19920854,125.18012759
113.42512230,-73.96679644,13.17112915,218.76419856,186.01355146,242.25777450
-2.73659242,0.15939822,-0.71190224

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448969/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.84522

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-6.55478

>  <SCORE.INTRA.DIHEDRAL>
-2.6111

>  <SCORE.INTRA.DIHEDRAL.0>
6.35548

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0896641

>  <SCORE.INTRA.REPUL.0>
0.0896641

>  <SCORE.INTRA.VDW>
-1.40091

>  <SCORE.INTRA.VDW.0>
-0.0226431

>  <SCORE.INTRA.norm>
-0.273116

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.326884

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  200.1202  202.2351  242.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4600  201.8603  242.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8459  200.5162  242.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8639  199.5496  241.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5220  199.9296  241.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1444  201.2668  241.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1911  198.6122  241.4795 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.1886  200.0907  242.2542 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2785  200.9428  242.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1860  202.1651  242.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6239  200.2090  242.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9976  199.4703  240.8592 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.5120  198.7700  240.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7391  199.7599  239.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5239  199.4701  238.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0458  198.1621  238.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7924  197.1661  239.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0148  197.4590  240.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7993  196.1086  240.8874 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.5568  197.7109  238.1501 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.6709  200.7662  238.1271 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.3405  199.0977  242.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-3.97438286,68.14477788,-40.84541009,82.99371697,201.93064491,199.25973535
240.69951736,-3.08636257,0.01171096,-2.50957002

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448970/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.15538

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-4.24462

>  <SCORE.INTRA.DIHEDRAL>
0.236378

>  <SCORE.INTRA.DIHEDRAL.0>
4.01911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.36281

>  <SCORE.INTRA.VDW.0>
-0.00281977

>  <SCORE.INTRA.norm>
-0.202125

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.245494

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  197.8715  204.7640  258.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2366  206.0901  259.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9090  207.2767  258.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2487  208.5224  258.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9181  208.5788  260.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2445  207.4008  260.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9054  206.1640  260.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8645  209.5962  258.2105 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7864  210.6862  258.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1042  211.8600  257.3955 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0011  212.4514  258.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5022  212.9443  259.5857 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4489  213.4404  260.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1176  213.8427  261.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8464  214.7436  259.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3259  212.3565  260.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8106  211.0019  260.9913 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5032  209.8888  260.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9385  209.8064  258.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5381  208.5438  258.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7753  207.3922  259.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4283  207.4805  260.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7766  208.7454  260.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3234  209.1188  262.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3234  210.5225  262.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6873  211.1423  263.2075 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0811  212.8662  257.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2259  213.6458  259.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5709  208.5213  262.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6240  213.5695  256.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
-140.04587625,-172.53078490,69.12263878,59.17599707,177.34440710,-176.28520507
176.78378046,44.08967276,-119.51088070,197.01057093,209.99610513,259.80051340
-1.35963311,0.95270779,-0.07829243

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448971/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.22325

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-5.17675

>  <SCORE.INTRA.DIHEDRAL>
0.825088

>  <SCORE.INTRA.DIHEDRAL.0>
4.44691

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.58929

>  <SCORE.INTRA.VDW.0>
1.26898

>  <SCORE.INTRA.norm>
-0.191731

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.304565

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  210.5386  190.7308  249.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3644  190.5580  248.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3706  191.2950  247.6349 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7335  191.0306  248.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8802  191.0994  249.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8677  190.3235  250.4614 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1202  188.8710  250.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2193  187.9635  251.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4322  187.9234  252.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6874  187.0825  253.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6935  186.2845  252.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3995  186.3512  251.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3349  185.6040  250.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9894  185.6841  249.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7298  186.4942  248.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8087  187.2299  249.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1639  187.1938  250.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0794  192.6585  247.7158 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7521  193.4186  246.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5465  194.7512  246.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6244  195.5669  247.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7325  196.9030  247.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7089  197.5644  246.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9335  198.7632  246.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3424  196.7347  245.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2474  195.4003  245.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1188  197.3867  244.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1241  193.1339  248.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.2532  198.3348  244.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
-118.02726113,-64.60599773,-72.55945465,-0.48512274,210.59717116,191.26561050
248.77239679,-1.66423129,-0.83960151,-0.55346563

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448972/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.8198

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-0.580203

>  <SCORE.INTRA.DIHEDRAL>
0.0665315

>  <SCORE.INTRA.DIHEDRAL.0>
1.51551

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.613469

>  <SCORE.INTRA.VDW.0>
-0.991183

>  <SCORE.INTRA.norm>
-0.021489

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.289622

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006382

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  220.0896  192.5260  240.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8828  192.8586  242.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7328  191.7604  243.1135 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.5770  191.9372  244.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5447  193.1420  245.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.6924  194.2120  244.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8492  194.1397  242.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0228  195.4156  242.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8454  196.4567  242.7446 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2343  195.3421  240.7573 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4374  195.7733  240.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7173  195.4576  240.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8215  196.0300  240.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6329  196.8809  238.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3288  197.0844  238.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2397  196.5297  239.0629 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.7654  197.5541  238.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9892  197.2238  238.6941 F   0  0  0  0  0  0  0  0  0  0  0  0
  224.7988  197.2452  236.8754 F   0  0  0  0  0  0  0  0  0  0  0  0
  224.6852  198.9107  238.2669 F   0  0  0  0  0  0  0  0  0  0  0  0
  223.0296  194.2730  241.8585 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.4252  190.7375  245.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4537  189.4445  244.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3268  188.3477  245.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1694  188.4389  246.9164 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1318  189.6825  247.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2509  190.8363  246.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4339  195.5172  240.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
0.66627570,173.90975034,-115.84478743,46.24764441,1.89681618,221.45658697
194.18704637,241.89759527,2.06941052,-0.42060192,2.56545608

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448973/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.01823

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-2.38177

>  <SCORE.INTRA.DIHEDRAL>
-4.67935

>  <SCORE.INTRA.DIHEDRAL.0>
6.49986

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0420904

>  <SCORE.INTRA.VDW.0>
-1.93141

>  <SCORE.INTRA.norm>
-0.0882135

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.296972

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000533

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  213.5836  186.8668  250.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0946  186.5283  250.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5014  186.6430  249.3760 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2592  185.8498  249.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4154  184.3328  249.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2715  188.0613  248.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2439  188.6724  247.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1302  188.0848  246.6294 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7572  186.8990  246.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9360  186.7729  246.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8540  185.8574  246.5133 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2798  184.5404  246.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2137  183.8984  247.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4064  182.5153  246.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6915  181.7710  245.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7861  182.4279  245.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5751  183.8163  245.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5514  184.4308  244.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8623  180.2817  245.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0035  184.5460  248.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2568  188.2237  246.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
158.37044335,-74.51902182,105.62535481,66.83063221,-81.75686746,-80.91283033
178.38637763,71.18757467,212.21513970,185.20223996,247.36807876,-2.09181562
1.47457558,-2.03592814

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448974/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.96012

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.67

>  <SCORE.INTRA>
-9.43988

>  <SCORE.INTRA.DIHEDRAL>
-7.12384

>  <SCORE.INTRA.DIHEDRAL.0>
15.4929

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.87796

>  <SCORE.INTRA.VDW.0>
2.30753

>  <SCORE.INTRA.norm>
-0.471994

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.198006

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000397

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  197.1869  205.1133  248.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6698  205.7445  249.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6517  207.1366  249.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1662  207.9221  248.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6608  207.2731  247.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6772  205.8756  246.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1251  209.3839  248.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6249  210.0317  249.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4652  211.5051  249.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9570  212.2118  248.6773 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9003  212.1001  250.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7691  211.9874  251.9046 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.2737  210.5539  251.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0973  210.4431  251.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4598  209.2395  250.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0021  208.1100  251.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1397  208.2220  252.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7949  209.4453  252.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7244  206.8255  253.2477 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.6688  211.6968  250.7980 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4985  212.6951  251.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2868  213.8932  251.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2011  212.3554  253.1944 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7829  211.8972  250.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4407  212.2521  253.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
4.27843207,-5.55246411,-84.83839393,51.25269320,-179.38070435,196.52836821
209.46722295,250.56418462,-0.66016410,1.40788968,-0.49640527

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448975/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.47347

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-4.92653

>  <SCORE.INTRA.DIHEDRAL>
-6.53212

>  <SCORE.INTRA.DIHEDRAL.0>
9.05336

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.66047

>  <SCORE.INTRA.VDW.0>
-1.25973

>  <SCORE.INTRA.norm>
-0.214197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.194499

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  196.7534  211.8653  263.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6770  211.7166  261.9528 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7623  211.1735  261.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4533  210.3572  260.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4615  209.6935  259.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8095  209.8784  259.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1084  210.7114  260.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0933  211.3521  261.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7609  209.1989  259.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8944  209.9212  258.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0616  208.7921  258.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8109  207.9003  258.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7007  209.0402  257.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4715  210.4492  257.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3607  211.1368  256.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2402  210.6726  256.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1570  212.5681  257.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9767  213.4542  256.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8661  215.1434  256.9636 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.3972  215.0275  258.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3621  214.7494  259.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9954  214.6257  260.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6620  214.7811  261.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6916  215.0555  260.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0595  215.1737  259.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
144.43312259,-157.82361363,132.36852764,38.34493228,61.55770583,7.66143724
176.40336038,34.21450107,78.48787708,197.99472025,211.87820953,259.16834401
3.11604171,1.20670756,-1.44859950

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448976/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30942

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.576

>  <SCORE.INTRA>
-8.09058

>  <SCORE.INTRA.DIHEDRAL>
-7.78808

>  <SCORE.INTRA.DIHEDRAL.0>
19.2338

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.19653

>  <SCORE.INTRA.VDW.0>
4.05936

>  <SCORE.INTRA.norm>
-0.323623

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.252377

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002369

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  211.5675  199.0639  250.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8141  200.1381  251.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8103  201.5601  250.9660 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0322  202.5811  251.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9757  204.0359  251.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3549  204.1508  250.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8832  204.1425  250.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3008  204.1704  248.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7958  205.3769  247.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3165  205.4602  247.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8377  205.3713  249.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2301  202.0234  250.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3395  202.3575  250.8404 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2301  201.4947  249.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9489  202.0491  248.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4147  202.0754  247.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1557  201.5401  246.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4383  200.9609  247.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9697  200.9348  249.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  3  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-179.13005583,178.58112973,-128.04031806,58.80092444,81.21658603,209.90170932
202.63353718,249.56211702,0.44490648,0.90501635,-2.67172060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448977/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49204

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-3.90796

>  <SCORE.INTRA.DIHEDRAL>
0.728719

>  <SCORE.INTRA.DIHEDRAL.0>
0.818109

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.27232

>  <SCORE.INTRA.VDW.0>
1.60006

>  <SCORE.INTRA.norm>
-0.205682

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.341686

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006516

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  203.5183  220.0119  243.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1189  219.8517  244.5466 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7106  219.9571  244.8728 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.8602  219.1029  246.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2474  219.4467  246.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8419  220.3902  245.6994 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.5014  221.8450  246.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0059  222.1913  246.0827 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3737  221.4694  244.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1820  221.7461  247.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4337  222.0927  248.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3782  223.5873  248.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4219  224.1944  249.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4407  225.5728  249.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4219  226.3790  249.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3792  225.7896  248.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3564  224.4106  248.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4692  221.2473  249.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9520  220.1621  250.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0739  219.2917  250.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6964  219.4922  250.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1937  220.5873  249.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0729  221.4599  249.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
57.39365803,61.35613172,-131.69655580,106.71924240,201.45386796,221.71249368
247.66044342,-0.83339485,0.96168326,0.32121437

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448986/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.34904

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-1.05096

>  <SCORE.INTRA.DIHEDRAL>
-0.669028

>  <SCORE.INTRA.DIHEDRAL.0>
2.3425

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.716443

>  <SCORE.INTRA.VDW.0>
-2.63644

>  <SCORE.INTRA.norm>
-0.0456938

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.363002

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012890

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  193.7840  209.9952  259.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4711  210.2592  258.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2406  210.1881  259.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0448  210.3857  258.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0521  210.6774  257.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2850  210.8032  256.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4763  210.5869  257.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7354  210.8378  256.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6920  210.7215  257.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7196  211.1286  254.8935 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.1684  212.5544  254.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6396  210.2564  254.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3404  208.9326  254.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3264  208.4755  254.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3819  208.0928  253.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0860  206.8054  253.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9988  205.9298  252.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7060  204.7597  252.3449 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1589  206.4875  252.1203 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5325  207.8086  252.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7562  208.2686  251.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1601  209.5758  252.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3447  210.4116  252.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1205  209.9457  253.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6795  208.6404  253.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1379  209.9230  260.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7640  205.8736  251.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
0.71166704,-72.31444187,64.40701636,4.29003334,-167.21962749,190.95547204
209.31406579,255.12216326,-1.73960346,0.13815977,-2.05200653

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448987/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.7252

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-4.6748

>  <SCORE.INTRA.DIHEDRAL>
-8.81258

>  <SCORE.INTRA.DIHEDRAL.0>
10.3838

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.26851

>  <SCORE.INTRA.VDW.0>
-0.415929

>  <SCORE.INTRA.norm>
-0.1798

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.2202

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000450

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  192.3788  220.4027  253.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9004  220.7778  253.7543 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.6656  221.6823  252.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1638  221.6618  252.4295 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8930  220.2446  252.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9982  219.6562  253.4563 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3936  218.9348  254.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5466  219.8102  255.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4815  217.8224  254.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4777  218.2342  255.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3342  222.4488  253.3625 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3326  223.9313  253.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8935  224.4995  251.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3447  224.4231  254.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6988  224.5431  253.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9664  222.0338  253.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0168  221.0665  253.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
69.36950543,58.79396298,58.93255112,56.76527329,189.18556383,221.31608622
253.62938848,-1.23274878,0.09090771,-0.27990723

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448988/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.90594

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-0.494063

>  <SCORE.INTRA.DIHEDRAL>
-0.226724

>  <SCORE.INTRA.DIHEDRAL.0>
0.402173

>  <SCORE.INTRA.POLAR>
-0.257045

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.493251

>  <SCORE.INTRA.VDW.0>
2.48611

>  <SCORE.INTRA.norm>
-0.0308789

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.494121

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000911

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 42  0  0  0  0  0  0  0  0999 V2000
  218.9675  189.0237  253.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2402  187.7496  253.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8655  187.6054  254.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1185  186.5136  255.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6614  185.5890  254.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0099  185.7030  253.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8720  186.7517  252.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3608  186.7792  251.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8016  186.2833  250.9672 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.9950  184.7395  251.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0945  183.9170  250.8928 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3215  184.3599  251.1244 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.7527  182.9616  251.1866 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.2697  182.8615  251.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0734  182.3229  252.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4830  181.2392  252.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1654  183.0353  253.5994 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9431  183.4254  254.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9186  184.8727  254.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0858  185.3163  255.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4833  185.3258  255.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5686  184.8008  255.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8820  184.9347  255.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1369  185.5999  254.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0743  186.0802  253.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7594  185.9214  253.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7259  186.6674  256.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1318  187.8914  255.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7882  189.1113  256.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0046  189.1337  257.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5763  187.9357  258.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9424  186.7111  257.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2215  186.7713  249.6214 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4282  184.6862  252.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8034  186.3243  256.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0172  185.0510  251.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.0103  182.9403  254.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.1852  186.4611  249.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.2660  187.7878  249.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2936  185.5007  256.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 38  1  0  0  0  0
 33 39  1  0  0  0  0
 35 40  1  0  0  0  0
M  END
>  <CHROM.1>
-179.09932945,78.94222586,76.08562247,18.45318853,178.50465947,179.40193535
131.17713012,122.59857001,-134.14976211,-55.35371539,64.96629281,-135.81584009
-94.38987824,220.25072781,185.63470508,253.81176912,2.07895149,-0.29245927
0.97039358

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448989/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8219

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.497143

>  <SCORE.INTRA>
-6.57807

>  <SCORE.INTRA.DIHEDRAL>
1.16953

>  <SCORE.INTRA.DIHEDRAL.0>
7.04886

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.16283

>  <SCORE.INTRA.VDW.0>
-3.84889

>  <SCORE.INTRA.norm>
-0.187945

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.309198

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016524

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  189.8065  218.1472  258.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1489  219.0526  258.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3822  220.1080  257.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1127  220.4470  257.9124 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1630  219.3230  257.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7650  218.7220  259.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0085  217.5420  258.8382 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.6796  216.8567  260.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6118  215.8120  259.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3792  216.5182  259.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.2471  215.6614  259.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0186  216.4023  260.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5831  217.6328  259.3289 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.4494  218.7979  259.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9377  219.5569  258.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7508  220.6882  258.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.9244  221.4263  257.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0447  222.4287  257.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2629  221.7148  257.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3691  222.3026  258.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6204  221.7432  257.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3126  217.4248  257.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.0685  216.5709  257.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.0015  215.8384  257.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  3  0  0  0  0
M  END
>  <CHROM.1>
9.15446311,-71.93247842,69.14452683,-75.59286322,183.39833210,218.80989873
258.50162609,-0.38097495,0.03042770,2.83657047

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448990/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.57839

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-0.821607

>  <SCORE.INTRA.DIHEDRAL>
0.640025

>  <SCORE.INTRA.DIHEDRAL.0>
0.130883

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.14162

>  <SCORE.INTRA.VDW.0>
0.48458

>  <SCORE.INTRA.norm>
-0.0342336

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.357433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.057575

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  210.8944  192.7331  247.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0871  193.4018  246.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6432  194.0423  248.4746 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.4001  193.2724  249.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4783  192.6929  248.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3064  193.3464  250.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2646  193.7280  251.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0520  193.0324  251.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0030  193.0486  252.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6141  192.6945  253.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2057  192.5807  254.4209 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9011  192.5231  252.1073 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7179  192.7352  250.9340 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.1491  193.8067  250.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3227  195.1818  250.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8102  196.1321  249.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0954  195.7173  248.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8726  194.3683  248.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4012  193.4182  248.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6131  196.6251  247.3938 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.5316  192.0191  252.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4451  193.0782  252.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4862  194.1127  251.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4768  195.1035  251.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5287  196.1802  250.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2549  195.6102  249.2260 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9964  193.3246  253.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3092  196.3504  248.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8070  193.5421  253.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <CHROM.1>
-15.40259409,176.97440551,1.12128226,83.54745769,-36.14455146,60.55405075
-179.00800602,-179.08346710,61.81888819,-179.73686056,208.57570428,193.93120591
250.33947855,0.04344918,0.25708220,-1.19857073

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448991/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.919

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-4.481

>  <SCORE.INTRA.DIHEDRAL>
-4.24954

>  <SCORE.INTRA.DIHEDRAL.0>
7.81186

>  <SCORE.INTRA.POLAR>
-0.0315651

>  <SCORE.INTRA.POLAR.0>
-0.115551

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.24891

>  <SCORE.INTRA.VDW.0>
-4.39799

>  <SCORE.INTRA.norm>
-0.165963

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.330333

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005362

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  209.2152  190.0698  238.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0421  189.6511  239.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4677  189.5123  240.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7790  189.4498  241.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2290  189.8426  242.5455 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.1131  189.4028  243.5399 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.4316  189.6965  245.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5445  189.4670  245.4872 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2885  190.1096  245.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4442  191.1762  245.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0165  190.7614  243.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7714  189.9741  243.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4785  189.7293  241.7452 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4551  191.3759  242.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5404  191.9077  243.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5583  193.2579  243.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5395  194.1287  243.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5259  193.6214  242.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4856  192.2766  242.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5435  195.4325  243.7848 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7159  195.6456  244.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0838  194.8924  246.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5916  193.5773  246.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8763  192.7994  247.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6590  193.3272  248.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1572  194.6355  248.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8709  195.4149  247.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9613  193.8408  244.8775 Br  0  0  0  0  0  0  0  0  0  0  0  0
  210.8155  189.1668  240.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9766  188.9315  240.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3710  189.1072  238.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5969  190.1013  241.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  6  0  0  0
  6 12  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 32  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
-139.38649026,-96.35157305,62.10715073,-84.61648302,210.26011947,191.96861012
243.72809910,-1.91466412,0.66167841,1.08019839

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448992/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.97392

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-3.42608

>  <SCORE.INTRA.DIHEDRAL>
4.32391

>  <SCORE.INTRA.DIHEDRAL.0>
1.98303

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.58803

>  <SCORE.INTRA.VDW.0>
-0.507557

>  <SCORE.INTRA.norm>
-0.110519

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.192707

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000347

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  212.2402  187.0869  246.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1787  187.3196  245.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9939  186.9807  244.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8228  187.1787  242.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7616  187.7830  242.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5927  187.9827  240.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4061  187.5370  239.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2667  187.9554  238.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2056  188.7504  238.0569 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3879  189.0734  238.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6440  188.7093  239.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8245  186.3591  245.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7710  186.0358  244.4650 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9986  186.1459  246.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1372  186.4920  247.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0531  189.0439  237.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
179.99868608,211.05192594,187.42476930,242.61071978,-1.68170897,-0.40682848
-1.34292402

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448993/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38592

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.014081

>  <SCORE.INTRA.DIHEDRAL>
-0.0285237

>  <SCORE.INTRA.DIHEDRAL.0>
0.0285237

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00018086

>  <SCORE.INTRA.VDW.0>
-0.263153

>  <SCORE.INTRA.norm>
-0.000938732

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.425728

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007957

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  197.5278  208.3505  252.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5142  208.0887  251.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6867  206.9511  251.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6931  207.1635  250.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2381  208.4126  250.3295 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5260  208.9728  251.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8614  210.3508  251.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9806  205.7220  251.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0633  204.7826  250.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4299  203.7277  250.0656 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9111  205.0729  248.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3359  205.3711  252.6028 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.3121  205.7429  253.6076 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9906  205.9106  252.6986 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1354  203.5927  252.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8835  203.0180  252.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7768  201.6307  252.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9099  200.8138  252.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1393  201.3903  252.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2653  202.7760  252.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7830  199.4237  252.1381 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1170  199.0492  251.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1602  198.9120  252.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
164.93175716,-40.84023081,-99.26027828,109.83876454,197.91984199,205.14560553
251.71965197,0.96277389,0.99634189,0.40173996

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448995/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.56495

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-14.9649

>  <SCORE.INTRA.DIHEDRAL>
-42.1144

>  <SCORE.INTRA.DIHEDRAL.0>
52.1826

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
6.09224

>  <SCORE.INTRA.VDW.0>
-3.52357

>  <SCORE.INTRA.norm>
-0.712617

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
-0.264997

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000253

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  193.1459  204.4463  251.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3790  205.3263  250.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2945  206.1687  249.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7035  207.4368  249.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5145  208.2291  248.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9619  207.7481  247.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5761  206.4745  247.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7464  205.6893  248.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6900  208.6210  246.9021 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3479  208.3609  245.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0475  206.8929  245.2945 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.4466  209.5421  244.9380 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4987  210.4949  245.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8096  211.5523  244.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5795  212.2094  243.7337 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6077  211.1709  243.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2426  210.1863  244.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8730  213.4466  244.6783 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.8839  214.4425  244.9547 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6385  213.8330  244.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4529  212.6661  246.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1476  212.2064  246.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7960  211.6975  247.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7410  211.6529  248.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0385  212.1092  248.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3895  212.6176  247.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6468  213.0496  247.0375 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.9457  209.5132  247.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-89.11728824,173.13812211,78.31209681,54.75449062,-97.26388865,195.48766635
210.04102526,246.53329727,2.15425958,-1.03072428,3.11459438

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448996/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.50809

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-2.89191

>  <SCORE.INTRA.DIHEDRAL>
-2.00386

>  <SCORE.INTRA.DIHEDRAL.0>
4.9737

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.88998

>  <SCORE.INTRA.VDW.0>
-2.6181

>  <SCORE.INTRA.norm>
-0.107108

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.278077

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000005

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  213.3574  195.7351  241.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8572  195.8142  241.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0663  195.4529  240.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5588  194.8612  242.7495 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2429  195.0323  243.1945 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4887  194.0002  242.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9201  192.6932  242.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9621  191.7999  241.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3580  190.5787  241.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7177  190.2566  241.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6802  191.1291  241.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2758  192.3314  242.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1390  188.9948  240.5980 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.2543  188.2287  240.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3553  188.7716  240.5171 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.8206  194.2491  243.3809 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <CHROM.1>
170.19971506,116.07406243,-164.80544539,210.48463714,192.63835571,241.86341890
-1.67018285,-0.38362337,-2.89051605

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448997/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.28195

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-3.11805

>  <SCORE.INTRA.DIHEDRAL>
-8.78732

>  <SCORE.INTRA.DIHEDRAL.0>
10.6039

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.27561

>  <SCORE.INTRA.VDW.0>
-1.03355

>  <SCORE.INTRA.norm>
-0.194878

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.330122

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  215.5085  177.4080  245.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4274  178.0899  243.7386 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9328  177.3313  242.3798 P   0  0  1  0  0  0  0  0  0  0  0  0
  213.6444  176.5735  242.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9253  178.5273  241.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9527  178.6603  240.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2372  177.9427  240.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3126  176.8872  241.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1688  176.3712  241.9859 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5549  176.2356  241.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5035  175.2353  242.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6728  174.7300  243.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9122  175.2175  243.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9843  176.1944  242.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8133  176.7003  241.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9763  179.6297  241.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1069  180.5386  242.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7210  181.2987  242.7156 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.2413  178.6728  243.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
50.44730181,64.15806942,172.85650350,58.82285690,216.55002873,177.73833745
242.31450795,2.48283919,0.16481291,-0.23768606

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/448/14448999/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.41693

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-1.98307

>  <SCORE.INTRA.DIHEDRAL>
-4.43716

>  <SCORE.INTRA.DIHEDRAL.0>
7.22787

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.235507

>  <SCORE.INTRA.VDW.0>
-2.59258

>  <SCORE.INTRA.norm>
-0.110171

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.412051

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044564

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 49  0  0  0  0  0  0  0  0999 V2000
  222.8302  187.0660  246.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8921  185.9728  246.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6507  185.1925  245.1086 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3588  184.5053  245.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2357  185.3894  245.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4417  186.5724  246.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3096  187.4553  246.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5413  188.8382  246.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5199  189.7785  246.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1831  189.3360  246.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9891  187.9336  246.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0286  186.9892  246.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7169  185.5254  247.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7265  185.4469  248.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8681  185.9839  249.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5764  186.2738  249.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3835  186.8458  251.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4785  187.1428  251.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7513  186.8693  251.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9829  186.2960  250.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4551  186.1499  249.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3094  186.0012  250.8791 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.6935  185.0747  249.0320 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.9336  187.2274  249.1493 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.9846  190.2325  246.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0098  191.5469  246.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9418  192.4379  246.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7951  192.0100  247.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7088  190.7164  247.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8054  189.8553  247.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7355  192.8408  247.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9585  191.2162  246.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8992  191.6041  248.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6204  190.8484  249.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0063  190.6454  249.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6932  189.8628  250.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0099  189.2807  251.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6332  189.4586  251.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9167  190.2218  250.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4177  190.2904  250.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9475  190.2217  251.7192 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.9080  191.4507  249.9331 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.7802  189.2929  249.7634 F   0  0  0  0  0  0  0  0  0  0  0  0
  224.3879  184.5005  244.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9380  193.7029  247.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 45  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
>  <CHROM.1>
28.73281156,-104.97793376,21.57370738,144.10866105,-57.01738545,153.74930773
-153.91984478,1.55047798,56.88569830,57.67530189,-149.78256437,219.21541804
188.44978539,248.48631010,-0.09702931,0.76305079,-1.23303707

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449000/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.78381

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35814

>  <SCORE.INTRA>
-12.6162

>  <SCORE.INTRA.DIHEDRAL>
-6.29257

>  <SCORE.INTRA.DIHEDRAL.0>
17.7888

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.46991

>  <SCORE.INTRA.VDW.0>
-0.189972

>  <SCORE.INTRA.norm>
-0.2934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.0647397

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.253004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 24  0  0  0  0  0  0  0  0999 V2000
  216.2308  190.6019  247.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1870  191.6171  248.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6221  192.1494  249.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7057  191.0887  250.7177 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6032  191.6984  252.0869 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.3644  190.6524  253.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0925  189.8155  253.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0962  189.0285  251.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2379  189.1402  250.8996 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0941  188.1228  251.6831 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9199  192.4255  252.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9557  192.2199  251.7615 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7825  193.3704  253.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0244  189.1693  248.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8256  188.4408  247.7239 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.7726  186.9560  248.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1481  186.0254  247.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3322  186.7723  249.3937 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5716  189.0978  248.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6479  190.6843  250.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.1117  187.5773  250.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.6617  193.8095  253.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.3208  185.8370  249.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3543  188.7941  249.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7900  188.7629  247.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  1  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 22  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <CHROM.1>
85.93120680,70.97158284,-61.34845653,-158.14136165,167.13581177,-59.46265034
-17.48682726,60.23897324,-121.15277794,178.76175581,-178.06911731,172.80976913
-100.29961375,-78.56708260,-178.08218910,215.29313698,189.88185149,250.32147812
-2.15581668,1.05842506,1.24728559

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449001/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.5644

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.915789

>  <SCORE.INTRA>
-6.83556

>  <SCORE.INTRA.DIHEDRAL>
1.87484

>  <SCORE.INTRA.DIHEDRAL.0>
6.24484

>  <SCORE.INTRA.POLAR>
-0.728578

>  <SCORE.INTRA.POLAR.0>
-1.36745

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.29581

>  <SCORE.INTRA.VDW.0>
0.976905

>  <SCORE.INTRA.norm>
-0.359766

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.556023

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014715

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  183.6077  212.3223  255.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7276  213.5277  255.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5109  213.5586  253.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4118  213.4781  256.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4940  212.7315  255.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.2297  214.3411  257.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2700  213.8975  258.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5184  215.8193  257.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8302  214.2586  257.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5840  213.9379  259.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.8318  214.5511  257.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.9219  214.4943  257.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-78.89797201,-62.55098371,124.27479476,179.26829465,181.23017499,213.85311135
256.68790183,-0.83313033,-0.15901091,1.33707920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449010/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.01434

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-1.38566

>  <SCORE.INTRA.DIHEDRAL>
0.883572

>  <SCORE.INTRA.DIHEDRAL.0>
2.89754

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.82745

>  <SCORE.INTRA.VDW.0>
3.02137

>  <SCORE.INTRA.norm>
-0.125969

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.637667

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026687

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  200.9991  213.2906  249.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6515  214.7382  250.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8547  215.4016  249.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2737  215.3842  251.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0018  214.7826  252.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9639  216.7049  251.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3583  217.3567  252.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8831  217.5492  252.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5994  216.4317  253.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0210  216.3084  252.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8278  217.5557  253.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5996  215.1005  253.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1832  216.0369  251.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1171  215.5623  252.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-0.66853676,171.15149024,73.09578047,-91.29110424,158.06573852,61.48339583
202.73472725,215.89534615,251.81962449,-2.63772761,-0.36551231,0.48112013

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449011/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.69922

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.876923

>  <SCORE.INTRA>
-1.70078

>  <SCORE.INTRA.DIHEDRAL>
3.3258

>  <SCORE.INTRA.DIHEDRAL.0>
1.88896

>  <SCORE.INTRA.POLAR>
-0.964342

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0849146

>  <SCORE.INTRA.VDW.0>
4.687

>  <SCORE.INTRA.norm>
-0.130829

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.746094

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042962

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 85 84  0  0  0  0  0  0  0  0999 V2000
  198.0710  200.5673  251.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9484  199.7249  252.0745 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.0754  198.9572  251.0451 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9426  198.1479  251.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7793  198.1414  251.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3253  197.4587  252.8913 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4462  195.9883  252.9012 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2096  195.5559  251.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9603  194.1174  251.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3777  193.1159  252.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6212  192.2833  252.6929 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6649  193.1801  252.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1573  195.4793  254.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8298  194.4537  254.7821 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1655  196.2979  254.6799 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9257  196.0073  255.9175 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3170  195.3630  255.6177 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1781  195.1372  256.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2181  194.0755  255.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1098  197.3332  256.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4601  197.5966  257.7227 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0365  198.2414  256.2395 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2489  199.5650  256.8674 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.6166  200.2499  256.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0451  199.2905  257.2783 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.1672  200.5200  256.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7080  200.3956  255.2152 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7952  201.4883  257.1750 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5273  199.8727  250.0275 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7541  199.6907  248.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4154  198.7286  248.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1226  200.7359  247.7007 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.6025  200.6385  247.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4661  202.1050  248.0732 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7686  202.5699  248.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5141  202.5241  249.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2908  202.9161  246.6530 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9698  204.2915  246.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1921  204.1936  247.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2768  201.9439  246.1497 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9652  200.5985  246.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0462  200.1798  245.3604 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9701  199.6380  246.7323 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.1531  200.0503  248.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9237  199.0107  248.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1493  199.0329  249.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1788  197.9720  249.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5710  198.2362  246.5723 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4584  197.3181  246.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5465  197.6612  245.5759 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9709  195.8516  246.0550 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4154  195.1606  247.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1071  193.6635  247.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2565  193.0936  248.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0762  192.2426  249.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3874  193.6206  249.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5319  195.7806  245.8175 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9387  195.9375  244.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5613  196.1165  243.5431 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3951  195.9178  244.6308 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.8911  197.1917  245.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8708  198.3766  244.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0638  199.2929  244.4448 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8326  198.3170  243.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8628  195.7223  243.2563 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5485  198.8233  253.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1708  197.9397  253.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9734  192.4688  253.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5603  196.9871  254.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7115  194.1412  254.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3572  198.1194  255.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9070  198.2567  256.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1217  202.1191  256.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7678  200.4667  250.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.8095  202.6271  248.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9796  203.9669  248.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8501  202.2997  245.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2108  198.0318  249.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6982  197.9121  246.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4717  193.2700  250.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8821  195.6874  246.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.8660  199.0932  242.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1408  196.5136  242.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8373  195.7856  243.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8989  199.3407  253.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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  6 67  1  0  0  0  0
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 15 69  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 71  1  0  0  0  0
 23 24  1  6  0  0  0
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 25 72  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
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 30 31  2  0  0  0  0
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 37 38  1  1  0  0  0
 37 40  1  0  0  0  0
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 43 48  1  0  0  0  0
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 45 47  1  0  0  0  0
 47 78  1  0  0  0  0
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 51 52  1  1  0  0  0
 51 57  1  0  0  0  0
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 56 80  1  0  0  0  0
 57 58  1  0  0  0  0
 57 81  1  0  0  0  0
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M  END
>  <CHROM.1>
-178.98537245,67.35663914,134.57441761,122.92759763,-107.58374808,45.93439278
-155.95182750,141.83472803,-61.51298169,121.05553622,-174.93900665,99.49024437
175.85664058,104.55141201,57.97442704,156.37009697,-60.22711753,-31.11428986
64.55570290,179.12417579,-71.04758913,63.61059151,-91.22856165,133.15623488
70.63546148,56.62497382,-66.52380400,60.32577032,54.74693877,169.88843798
126.10470650,90.13123731,-5.33323040,-90.54595463,-173.69743412,76.20769252
-166.70682200,-116.58793599,-179.55139290,69.77286946,80.51358088,-62.73524552
147.76189847,-177.56396687,197.57763551,197.95547250,250.27093604,-0.36380493
-1.39761016,-0.23495686

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449012/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.51633

>  <SCORE.INTER>
41.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
36

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.627273

>  <SCORE.INTRA>
-37.8837

>  <SCORE.INTRA.DIHEDRAL>
-11.0581

>  <SCORE.INTRA.DIHEDRAL.0>
42.5775

>  <SCORE.INTRA.POLAR>
-4.4762

>  <SCORE.INTRA.POLAR.0>
-1.17965

>  <SCORE.INTRA.REPUL>
0.00819075

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-17.1765

>  <SCORE.INTRA.VDW.0>
-5.99123

>  <SCORE.INTRA.norm>
-0.573995

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
66

>  <SCORE.norm>
0.0532778

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.308716

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  194.2828  208.9280  251.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2371  209.4080  252.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4010  210.6499  252.8588 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6590  211.6155  251.9304 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8463  212.9318  252.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7745  213.3249  253.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1082  213.8832  251.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3657  213.4333  250.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2826  212.1441  249.7825 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1362  211.0974  250.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7967  210.9373  251.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
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  196.1194  210.7617  248.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
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  194.9354  212.7207  247.9772 O   0  0  0  0  0  0  0  0  0  0  0  0
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  198.5635  210.8084  248.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9115  208.3980  253.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8364  207.0523  253.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6069  206.0253  254.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4464  206.3208  255.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4864  207.6485  255.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7025  208.6884  254.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6117  210.2843  255.5892 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.7837  211.3686  250.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9136  210.5671  247.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  3  4  1  0  0  0  0
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  5  7  1  0  0  0  0
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M  END
>  <CHROM.1>
7.46590420,-179.24896249,-60.01565844,65.32814649,-123.04156732,195.16794944
210.40280629,251.81206137,-2.65292664,1.09439519,-0.00985362

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449013/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.52494

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-4.87506

>  <SCORE.INTRA.DIHEDRAL>
-4.28264

>  <SCORE.INTRA.DIHEDRAL.0>
7.10972

>  <SCORE.INTRA.POLAR>
-0.464134

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15568

>  <SCORE.INTRA.VDW.0>
0.769217

>  <SCORE.INTRA.norm>
-0.203127

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.230206

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000317

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  214.4915  187.9893  249.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9031  186.8325  248.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
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  216.1707  183.5414  246.5040 N   0  0  0  0  0  0  0  0  0  0  0  0
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  217.3720  182.2424  244.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4640  181.3125  245.7428 C   0  0  2  0  0  0  0  0  0  0  0  0
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  214.5756  181.9110  247.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
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  216.1953  182.3027  249.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1394  182.1379  250.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0046  180.9432  251.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
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  216.9942  180.0658  250.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6903  178.8963  250.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0497  178.7908  250.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6681  178.9726  246.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8936  178.6828  245.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1005  178.0797  247.4255 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7478  176.7064  247.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1805  175.9840  248.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8425  174.6342  248.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0777  173.9840  247.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6532  174.6896  246.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9909  176.0387  246.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3700  173.7626  250.1522 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.5773  178.4557  248.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  1  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 36  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-1.88325354,41.41916296,65.31855835,55.23327673,-125.66378266,62.76227994
-173.72391623,216.46627521,180.56164738,248.14524158,2.42259096,1.40837443
-0.92206173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449014/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.82684

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.354286

>  <SCORE.INTRA>
-7.57316

>  <SCORE.INTRA.DIHEDRAL>
2.65192

>  <SCORE.INTRA.DIHEDRAL.0>
4.61056

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.49912

>  <SCORE.INTRA.VDW.0>
-0.433755

>  <SCORE.INTRA.norm>
-0.216376

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.13791

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  215.7332  188.7502  244.6221 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0254  187.0235  245.1814 As  0  0  0  0  0  0  0  0  0  0  0  0
  215.3524  187.3773  246.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3857  186.4726  244.5598 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8084  188.7068  243.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5107  187.8700  246.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.4870  186.4532  243.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <CHROM.1>
-164.79130642,46.62748651,73.35159894,215.66832231,187.23351280,245.23091809
-1.79104563,1.02348895,1.84604948

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449016/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.10293

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-0.297069

>  <SCORE.INTRA.DIHEDRAL>
-0.518763

>  <SCORE.INTRA.DIHEDRAL.0>
0.822427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0376881

>  <SCORE.INTRA.VDW.0>
-0.0165201

>  <SCORE.INTRA.norm>
-0.0742674

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.27573

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.079382

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  197.4184  190.9735  253.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7438  190.9577  255.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3555  192.2853  255.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6074  192.6138  255.0861 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.2349  193.9483  255.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4059  194.2432  254.6795 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1363  194.2903  253.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5345  192.9689  252.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2755  192.6319  253.5768 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6587  191.2985  253.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7063  194.4507  255.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6234  194.6863  254.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9346  194.3460  256.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0003  192.6541  257.1858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
77.69531615,200.74239102,192.99357668,254.99799358,3.01037027,-0.52294334
-1.17309655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449017/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.72532

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.67468

>  <SCORE.INTRA.DIHEDRAL>
-0.0206365

>  <SCORE.INTRA.DIHEDRAL.0>
1.33566

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.664362

>  <SCORE.INTRA.VDW.0>
-0.18906

>  <SCORE.INTRA.norm>
-0.0481914

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.408951

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013749

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  212.2998  194.7612  253.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7587  193.5226  253.9250 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.0301  192.9714  254.7659 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8698  193.0682  253.5972 O   0  5  0  0  0  0  0  0  0  0  0  0
  211.8412  194.4671  251.9122 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.1463  195.3163  251.3281 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1376  193.3766  251.4004 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.4307  195.7017  253.2239 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.1254  195.8480  254.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6810  196.2970  252.1655 O   0  5  0  0  0  0  0  0  0  0  0  0
  211.1716  195.3352  254.0316 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.0407  194.8332  253.9122 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3796  196.3371  254.7373 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  8   2   1   4  -1   5   1   7  -1   8   1  10  -1  11   1  13  -1
M  END
>  <CHROM.1>
-103.53289279,163.91990077,-45.52276078,-77.20454180,212.30100475,194.75649313
253.27081460,3.01031992,0.13255739,-1.61881401

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449020/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.19832

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-0.201684

>  <SCORE.INTRA.DIHEDRAL>
-0.376566

>  <SCORE.INTRA.DIHEDRAL.0>
9.75071

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.013401

>  <SCORE.INTRA.VDW.0>
-2.02198

>  <SCORE.INTRA.norm>
-0.0155142

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.707563

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.126197

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  182.3208  213.2127  259.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5332  214.0310  259.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3896  215.3728  259.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5135  216.1611  258.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8006  215.6213  258.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9444  214.2745  259.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8186  213.4861  259.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9881  216.4502  258.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1657  217.7026  259.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2465  218.4102  259.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1658  219.7778  260.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2037  219.9930  261.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7094  218.7539  261.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3384  217.7929  260.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6962  218.3222  262.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4083  216.9513  262.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4110  216.4952  263.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6677  217.4163  264.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9462  218.7818  264.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9591  219.2299  263.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0659  215.0544  263.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1696  214.6420  264.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8429  214.2403  262.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0131  215.8851  257.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8606  215.4564  257.1938 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6398  213.2896  262.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  3  0  0  0  0
M  END
>  <CHROM.1>
46.09905229,-160.97149894,179.98029929,-177.32041302,179.19404912,184.39520314
216.47988030,260.95536104,2.77336507,0.74782935,0.43414655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449026/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.93804

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-11.338

>  <SCORE.INTRA.DIHEDRAL>
-22.5768

>  <SCORE.INTRA.DIHEDRAL.0>
30.8167

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0496266

>  <SCORE.INTRA.VDW.0>
-1.99452

>  <SCORE.INTRA.norm>
-0.453522

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
-0.0775217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001342

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  210.4322  181.6552  244.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6807  182.1392  244.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5298  182.7365  242.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5969  183.3842  242.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8221  183.4755  242.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9994  182.8544  244.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9553  182.1351  244.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2315  181.4503  246.0317 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1909  180.0604  246.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3632  179.4447  247.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6833  180.1770  248.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8858  179.4875  249.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2743  180.1751  250.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4643  181.5555  250.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2459  182.2499  249.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8547  181.5504  248.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6041  182.2542  247.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7125  183.4767  247.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9376  179.1920  244.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7719  179.5161  243.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0010  179.5697  243.7161 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1028  179.7746  242.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7209  179.5643  242.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0328  180.0081  241.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7172  180.6593  240.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1096  180.7424  240.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8041  180.2909  241.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9484  181.1596  239.0659 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0922  182.5627  238.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
66.75225172,48.19741870,53.55013750,-7.28684511,122.41556483,212.97361010
181.16098981,244.58915841,2.65182007,1.30314619,-2.61047288

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449027/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.99109

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-4.40891

>  <SCORE.INTRA.DIHEDRAL>
-0.786714

>  <SCORE.INTRA.DIHEDRAL.0>
17.0903

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.01555

>  <SCORE.INTRA.VDW.0>
-0.894874

>  <SCORE.INTRA.norm>
-0.152031

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.206589

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001162

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  185.2242  219.8259  253.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6154  220.4269  252.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7978  221.0314  251.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0151  220.3661  251.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3872  220.8564  250.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8518  220.6719  250.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5133  221.0936  249.4764 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2515  219.9379  251.5270 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1568  219.7792  252.4784 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.4450  220.5176  253.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8173  221.8713  253.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1886  222.5136  254.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1600  221.8334  256.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7538  220.4994  256.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3923  219.8448  255.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6009  222.5546  257.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8072  222.4549  258.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5929  219.6031  251.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6454  219.9651  250.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9617  219.5882  251.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2240  218.8255  252.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1991  218.4504  253.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8912  218.8562  252.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4875  218.4244  252.7205 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6080  221.4396  249.5669 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0945  218.7561  252.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.1962  221.6861  248.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
178.00887305,179.95943007,-2.51334901,-61.37402238,135.63591873,-0.24137391
189.17105988,220.47627382,252.94502851,3.00134725,-0.26787149,1.33930119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449028/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35845

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-2.04155

>  <SCORE.INTRA.DIHEDRAL>
-3.66069

>  <SCORE.INTRA.DIHEDRAL.0>
7.17042

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.211207

>  <SCORE.INTRA.VDW.0>
-0.0952653

>  <SCORE.INTRA.norm>
-0.081662

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.294338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001945

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  194.7675  209.3512  240.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9710  209.5047  239.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5401  208.4772  238.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8838  207.3170  239.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6856  207.1658  240.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1291  208.1667  241.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1711  205.8356  240.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1658  205.4185  242.0387 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5895  205.2389  239.7430 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4992  206.0862  238.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8804  205.9246  237.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2440  203.9568  239.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4861  204.0332  238.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4319  204.8050  239.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4109  205.1662  240.6965 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4907  205.2398  238.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0342  206.1465  237.5307 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5145  207.3144  238.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5392  207.6470  239.1899 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9540  208.0913  236.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8866  207.8388  235.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2173  208.9398  234.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9137  209.7964  236.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3536  209.2942  237.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-125.42783023,62.78605430,17.14783837,67.95368429,58.58313047,6.81994224
-0.60127893,197.59445763,206.88950105,238.80434721,2.17752222,-0.62225368
2.42594270

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449029/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.05933

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-3.34067

>  <SCORE.INTRA.DIHEDRAL>
-0.671302

>  <SCORE.INTRA.DIHEDRAL.0>
6.84508

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.00502

>  <SCORE.INTRA.VDW.0>
-0.248251

>  <SCORE.INTRA.norm>
-0.139195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.377472

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000795

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  219.5623  196.4497  246.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5049  195.9757  247.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2329  195.9264  246.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9869  196.3302  245.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0710  196.8036  244.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3423  196.8532  245.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3706  197.3198  244.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5841  196.1614  245.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0375  195.6497  246.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0339  195.5144  247.4101 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8199  196.4933  244.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1339  195.5735  242.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5045  195.6515  242.5097 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1821  197.3132  245.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9107  195.1775  248.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6124  195.0383  241.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
-0.80123911,69.94486033,-61.61816853,179.92972863,217.18934158,196.20265596
245.30387853,0.43024988,0.24186303,1.65681134

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449031/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.58399

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.816008

>  <SCORE.INTRA.DIHEDRAL>
-1.35732

>  <SCORE.INTRA.DIHEDRAL.0>
1.52423

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.137349

>  <SCORE.INTRA.VDW.0>
-0.378803

>  <SCORE.INTRA.norm>
-0.0627698

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.506461

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000875

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 18  0  0  0  0  0  0  0  0999 V2000
  195.3849  215.2152  258.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0790  215.9237  258.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8649  215.3163  258.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7574  214.0816  259.4235 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3402  214.9191  260.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6806  216.2498  260.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3985  215.8879  258.6777 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.3843  214.8675  257.8674 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.1609  214.3066  258.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5797  213.2991  259.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7933  212.4033  259.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8409  213.0489  258.6754 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.0831  213.5833  257.4332 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.9026  213.7202  256.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2740  217.4219  258.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3019  212.8764  256.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.29332586,191.97947321,214.67210485,258.74941135,-0.26537492,-0.52239927
-2.11076431

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449032/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.09519

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.36

>  <SCORE.INTRA>
-0.304814

>  <SCORE.INTRA.DIHEDRAL>
-0.181521

>  <SCORE.INTRA.DIHEDRAL.0>
0.205362

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.214053

>  <SCORE.INTRA.VDW.0>
0.0123089

>  <SCORE.INTRA.norm>
-0.0203209

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.339679

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000551

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  216.7069  192.9050  210.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6104  193.9518  210.2504 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.5532  193.7192  211.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6925  194.2532  212.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8217  195.1867  212.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1297  195.3894  214.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5475  195.8602  211.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9529  195.4517  210.3821 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.7942  195.7998  209.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1820  194.9786  208.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3706  193.8207  208.7065 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.0111  193.8708  208.2900 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3132  192.6853  208.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8851  191.5120  208.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1799  190.3571  208.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8351  189.1216  207.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1810  189.0594  208.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8536  187.9237  207.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-69.93022525,-60.10361402,179.25462314,-178.86779762,60.90217078,-179.85559810
215.19008477,193.01884678,209.82583836,-0.09541797,1.34637335,2.24146246

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449033/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.44953

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-1.95047

>  <SCORE.INTRA.DIHEDRAL>
-0.364504

>  <SCORE.INTRA.DIHEDRAL.0>
0.852557

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.76822

>  <SCORE.INTRA.VDW.0>
0.876281

>  <SCORE.INTRA.norm>
-0.10836

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.524974

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  200.8142  197.0852  252.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1383  196.7231  252.9500 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.0575  195.2979  253.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7366  194.9321  253.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3816  193.8069  253.4306 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9614  196.0006  252.6935 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5533  196.0155  252.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7831  194.8812  252.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3834  194.8693  252.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6043  193.7486  253.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2222  193.7496  252.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5999  194.8681  252.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3552  195.9948  251.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7432  196.0117  252.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5091  197.1437  251.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8921  197.1484  252.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3370  197.3883  254.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3832  196.8354  255.2301 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1088  197.3567  255.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8189  198.6753  254.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5005  199.1299  254.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4597  198.2701  255.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7181  196.9390  255.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6607  196.0745  255.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9024  194.7458  256.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2061  194.2645  256.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2670  195.1127  255.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0548  196.4636  255.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
66.97365438,175.30895629,-82.01110421,-29.14447667,198.45554063,196.04253521
253.80048145,-0.30169276,-0.11197686,-2.13386801

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449034/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.40621

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-4.99379

>  <SCORE.INTRA.DIHEDRAL>
1.53034

>  <SCORE.INTRA.DIHEDRAL.0>
2.08209

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.75896

>  <SCORE.INTRA.VDW.0>
0.726828

>  <SCORE.INTRA.norm>
-0.17835

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.157365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022706

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
   43.4433   88.5631   65.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2244   89.1117   67.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3632   90.6293   67.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1677   91.1736   68.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.2792   92.5432   68.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8845   93.4252   67.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.0458   94.8004   67.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6010   95.3216   68.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9938   94.4551   69.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8297   93.0669   69.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7580   96.7920   68.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2668   97.2847   70.0642 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.4160   98.6303   70.1767 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.9544   99.1295   71.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2716   98.4229   72.3176 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.1005  100.6556   71.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0764  101.1155   70.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.1765  102.6325   70.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8041  103.2674   69.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8678  102.8671   71.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7392  101.3494   71.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1293   99.2352   69.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-179.75387130,179.98729867,34.42574779,179.76214562,179.35116223,-62.40428624
44.11758463,96.43470614,69.42839093,2.23629727,1.33415007,2.79410739

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449035/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2498

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-1.15021

>  <SCORE.INTRA.DIHEDRAL>
1.51017

>  <SCORE.INTRA.DIHEDRAL.0>
0.582984

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.9053

>  <SCORE.INTRA.VDW.0>
1.92897

>  <SCORE.INTRA.norm>
-0.054772

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.488085

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  192.0778  213.9606  260.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3147  213.6436  260.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3576  213.1968  261.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1767  213.0618  262.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9432  213.3772  263.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8950  213.8142  262.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3446  214.3087  262.9661 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.3690  214.3097  261.8847 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1478  213.4114  264.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6757  216.0111  263.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5897  216.5943  264.1232 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.6769  216.0635  264.4657 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.0519  216.8412  262.5242 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.0381  212.7922  260.3197 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
21.39069694,178.52593341,192.68430667,214.13212134,262.06071054,0.58618476
-0.24093335,-2.62719148

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449036/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.29043

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-2.10957

>  <SCORE.INTRA.DIHEDRAL>
-3.69541

>  <SCORE.INTRA.DIHEDRAL.0>
4.85196

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.261863

>  <SCORE.INTRA.VDW.0>
-1.42501

>  <SCORE.INTRA.norm>
-0.150684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.377888

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  195.5229  215.0131  259.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6703  213.8095  258.6070 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3474  213.8344  257.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9596  212.5923  256.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6109  212.4184  255.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6587  213.5411  254.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0469  214.7916  255.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3865  214.9446  256.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1106  215.9685  254.2194 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.8168  215.8112  253.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4548  217.0498  254.7202 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.2200  211.1663  254.8458 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1378  209.9568  255.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3991  209.8228  256.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7208  208.7853  254.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4860  208.8276  253.3915 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1498  207.5433  253.0815 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9962  207.0812  251.7072 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7444  205.5509  251.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6032  204.7789  252.6493 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.2715  205.3264  253.9663 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3024  206.6784  254.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5848  207.4548  255.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8824  206.8737  256.8003 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.0962  204.8170  252.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6685  203.7718  251.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0081  203.8208  251.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7979  204.9111  251.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2732  205.9292  252.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9397  205.8693  252.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5873  205.0150  250.9347 Br  0  0  0  0  0  0  0  0  0  0  0  0
  191.9216  207.8258  250.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7541  207.4124  249.6589 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.7239  207.6930  251.5564 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.1653  209.1599  250.8730 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.9788  211.1163  253.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.5794  204.7404  254.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  6  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
>  <CHROM.1>
-153.93030956,-0.58847310,3.13653393,-179.62283240,-94.00188332,194.99282917
208.79206536,253.59531815,-1.72076454,-0.00125459,-2.68180952

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449037/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.57932

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.297143

>  <SCORE.INTRA>
-3.82068

>  <SCORE.INTRA.DIHEDRAL>
-3.16174

>  <SCORE.INTRA.DIHEDRAL.0>
4.96468

>  <SCORE.INTRA.POLAR>
0.000520247

>  <SCORE.INTRA.POLAR.0>
-0.0622693

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.24158

>  <SCORE.INTRA.VDW.0>
1.0788

>  <SCORE.INTRA.norm>
-0.109162

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.18798

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  211.2408  198.5328  247.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1539  198.0974  247.0538 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4610  197.7540  245.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7384  198.3808  244.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8898  198.0372  243.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7879  197.0304  243.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1248  196.3863  241.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0621  195.3643  242.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5476  194.5153  241.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0555  194.7141  239.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1259  195.7457  239.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6574  196.5902  240.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4915  193.8206  238.7033 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.2828  192.9123  238.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0367  194.0267  237.5696 O   0  5  0  0  0  0  0  0  0  0  0  0
  212.3530  195.3636  243.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1185  194.6307  244.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5136  196.4219  244.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3765  196.7532  245.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7899  199.4324  245.0403 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.2322  200.4565  245.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6198  199.2512  244.6716 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 19  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  4  13   1  15  -1  20   1  22  -1
M  END
>  <CHROM.1>
-126.10670292,211.05866034,196.57297326,242.94696941,-2.01941565,0.77474337
-1.85690567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449038/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.06784

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-0.332164

>  <SCORE.INTRA.DIHEDRAL>
2.20536

>  <SCORE.INTRA.DIHEDRAL.0>
1.11299

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.43484

>  <SCORE.INTRA.VDW.0>
1.82699

>  <SCORE.INTRA.norm>
-0.0150984

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.275811

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000963

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  206.7849  198.8536  249.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8898  198.1732  248.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3594  197.0975  247.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9954  195.9489  247.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3974  194.9658  247.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1710  195.0829  245.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5353  196.1717  245.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1273  197.2061  246.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4568  198.4202  245.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2798  199.6778  245.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0482  200.8778  245.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6344  194.0217  244.9858 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1995  193.2165  246.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0332  193.7908  247.3405 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1414  195.8813  249.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3512  195.3839  249.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
55.02074776,-139.26000709,75.43574815,-119.49814800,206.92468041,196.52451945
246.96311709,-2.83149970,1.22169738,-1.99851144

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449039/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.82124

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-2.57876

>  <SCORE.INTRA.DIHEDRAL>
4.57219

>  <SCORE.INTRA.DIHEDRAL.0>
1.42902

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.86486

>  <SCORE.INTRA.VDW.0>
4.29794

>  <SCORE.INTRA.norm>
-0.161173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.426327

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000289

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 53 53  0  0  0  0  0  0  0  0999 V2000
  205.3738  215.7628  254.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6820  214.8343  253.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4391  214.3106  253.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9178  213.3612  252.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5683  212.9848  251.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9255  213.5442  251.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6099  213.2768  250.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4996  214.4790  252.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6293  214.9261  252.4028 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9465  212.0815  250.9209 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9874  212.3472  249.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
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  203.1561  212.7000  258.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
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  204.6141  211.3278  254.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
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  202.6655  209.8879  253.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5390  208.9122  255.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1373  208.4669  255.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2736  208.9355  256.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6280  210.0137  257.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
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  198.1164  209.1690  254.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
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  201.4195  208.9883  249.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1930  208.0401  250.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6767  208.8422  248.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8340  207.7222  247.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3720  207.9205  247.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5669  207.1587  248.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0762  206.0122  249.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0696  207.3912  248.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6453  208.0309  249.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
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  195.4735  210.7442  250.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1853  209.6613  250.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4506  212.1317  252.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
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 50 51  1  0  0  0  0
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M  END
>  <CHROM.1>
-94.70752007,-175.00095743,135.35924799,121.91619289,104.49282425,-75.34525332
114.19746553,88.15642486,-59.05574120,-109.08316527,-88.68553711,-177.48944886
-101.48191683,-92.41484401,63.46580747,-111.23387044,-106.15436418,176.47448301
-129.63751917,-96.85846581,61.11165034,-111.80485730,-106.14126347,-177.49765322
-119.10560763,201.71886173,211.00719471,253.02560714,-0.66672823,-0.45631931
-1.76644484

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449040/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.456202

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.565385

>  <SCORE.INTRA>
-29.8562

>  <SCORE.INTRA.DIHEDRAL>
-13.1226

>  <SCORE.INTRA.DIHEDRAL.0>
24.6223

>  <SCORE.INTRA.POLAR>
-0.211085

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-22.5772

>  <SCORE.INTRA.VDW.0>
8.02596

>  <SCORE.INTRA.norm>
-0.574158

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
-0.00877311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.127210

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 52  0  0  0  0  0  0  0  0999 V2000
  191.9310  211.9093  254.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
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  194.7545  208.4790  254.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
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  194.5692  215.4393  257.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 28 29  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  2  0  0  0  0
 38 40  2  0  0  0  0
 38 41  1  0  0  0  0
 41 46  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <CHROM.1>
43.19024702,29.37194909,65.96097211,-64.17877783,99.83546407,-104.68760001
177.18049132,-159.26941040,86.96881831,194.46728630,212.62954449,254.68797877
-0.75155005,1.54301429,-1.45816923

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449041/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.68839

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313043

>  <SCORE.INTRA>
-11.7116

>  <SCORE.INTRA.DIHEDRAL>
4.01754

>  <SCORE.INTRA.DIHEDRAL.0>
12.5554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-13.7204

>  <SCORE.INTRA.VDW.0>
-2.93364

>  <SCORE.INTRA.norm>
-0.2546

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.0584433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000901

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  201.6669  194.3992  240.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9583  194.9157  240.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8652  194.8851  239.7910 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0277  195.8667  242.0790 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.4857  197.0772  241.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1770  197.7533  242.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0694  196.5900  242.9077 C   0  0  1  0  0  0  0  0  0  0  0  0
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  203.2919  196.0749  244.9130 C   0  0  1  0  0  0  0  0  0  0  0  0
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  204.9604  194.9031  242.5055 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7619  194.1575  241.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
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  203.2753  191.5696  240.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8808  191.1576  240.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3804  190.5923  239.7008 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0089  191.4008  241.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
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  203.0822  192.5316  243.0095 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.0817  191.5446  244.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6977  194.3988  245.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2393  196.9082  246.3961 Br  0  0  0  0  0  0  0  0  0  0  0  0
  205.3885  194.5750  244.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5741  193.3997  245.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  1  0  0  0
  9 10  1  0  0  0  0
  9 24  1  1  0  0  0
 10 11  1  0  0  0  0
 10 23  1  6  0  0  0
 11 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-112.00139247,-179.36959965,203.50277612,194.56462436,243.14681177,-2.17465885
1.12243022,1.37439017

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449050/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.7775

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.256

>  <SCORE.INTRA>
-2.6225

>  <SCORE.INTRA.DIHEDRAL>
-0.482633

>  <SCORE.INTRA.DIHEDRAL.0>
4.29882

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.38119

>  <SCORE.INTRA.VDW.0>
3.44261

>  <SCORE.INTRA.norm>
-0.1049

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.1511

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000395

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  197.3429  215.7091  264.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8055  214.3166  264.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9953  213.3524  263.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8794  213.8219  265.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0205  214.3079  262.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7916  215.3641  261.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8330  215.3659  260.3567 Si  0  0  0  0  0  0  0  0  0  0  0  0
  193.0338  215.7622  260.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5909  216.6363  259.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9893  213.6863  259.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0142  212.8320  259.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1349  211.4442  259.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9419  211.0621  258.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4195  211.3907  258.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2383  210.4185  260.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
0.63330562,91.61964822,-27.38767970,1.05725842,195.86519765,213.80444585
261.12359864,-1.34577181,1.02405052,-2.29033872

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449051/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.0437

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-0.356298

>  <SCORE.INTRA.DIHEDRAL>
-0.000189945

>  <SCORE.INTRA.DIHEDRAL.0>
2.40438

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.356203

>  <SCORE.INTRA.VDW.0>
1.09863

>  <SCORE.INTRA.norm>
-0.0237532

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.602913

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010705

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  199.1314  205.0214  257.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6381  206.2743  257.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1831  206.1130  256.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5988  207.3313  256.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3234  207.5734  254.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9014  208.6103  254.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2083  206.4836  253.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8537  206.6109  252.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1207  207.1150  255.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6216  206.8492  254.6838 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4196  207.1792  256.9398 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0161  206.9600  256.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-179.64709644,63.96745840,-121.85696574,-106.24435556,179.55742195,-179.01576087
196.56965763,206.83765223,255.62155002,-0.12572042,-0.17781001,1.88027986

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449052/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8383

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-0.561726

>  <SCORE.INTRA.DIHEDRAL>
-0.773079

>  <SCORE.INTRA.DIHEDRAL.0>
2.62392

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.175187

>  <SCORE.INTRA.VDW.0>
2.92119

>  <SCORE.INTRA.norm>
-0.0468105

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.903189

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022339

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  208.1035  186.6127  253.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4400  186.2067  253.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1574  186.2150  252.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5354  186.6310  251.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2025  187.0892  251.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4881  187.0717  252.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1378  186.5337  249.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5213  186.7657  248.6694 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3204  186.1834  247.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4695  185.6792  248.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3706  185.9276  249.6815 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4745  185.0079  247.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2353  184.7892  246.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0702  185.2993  245.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1098  186.0061  246.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2226  184.0864  245.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1401  182.5833  245.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5224  181.9826  244.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7459  181.9431  246.2946 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6642  180.9704  246.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
171.34133977,86.98546203,95.73593506,178.19081570,210.82165126,185.30847206
248.63902577,-2.32405498,0.82810987,-1.44361372

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449053/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.0691

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-1.3309

>  <SCORE.INTRA.DIHEDRAL>
-0.997508

>  <SCORE.INTRA.DIHEDRAL.0>
3.10667

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.832151

>  <SCORE.INTRA.VDW.0>
-0.373179

>  <SCORE.INTRA.norm>
-0.0700476

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.372058

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  189.5163  217.0046  245.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4682  217.9530  246.0711 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.8759  217.3990  247.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6727  217.3278  247.6299 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8138  216.8872  248.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5573  215.5272  248.8044 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8950  214.4235  247.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8234  214.5018  246.2880 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.0166  215.3450  244.8402 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.4043  215.3277  250.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9729  215.0015  251.1574 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7133  215.6336  249.8632 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3911  218.2956  245.1223 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7875  217.0982  248.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2190  215.5208  250.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.7463  218.9429  245.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.8365  217.4729  244.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  6  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
-178.64604529,124.83677943,178.22248341,188.59701671,216.00003158,247.29389875
2.26852520,1.19832783,-1.96923454

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449054/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.60239

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-1.79761

>  <SCORE.INTRA.DIHEDRAL>
-2.30134

>  <SCORE.INTRA.DIHEDRAL.0>
3.2723

>  <SCORE.INTRA.POLAR>
0.249537

>  <SCORE.INTRA.POLAR.0>
-0.249537

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.49537

>  <SCORE.INTRA.VDW.0>
0.691308

>  <SCORE.INTRA.norm>
-0.138278

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.430953

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.209936

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  201.4730  207.5143  240.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0666  206.7565  241.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5103  205.4390  241.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0450  204.6930  242.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1475  205.3017  243.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6803  206.6227  244.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1522  207.3429  242.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6937  204.6661  245.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8922  204.0065  245.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6713  203.6951  244.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2496  203.8191  246.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2434  204.3335  247.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2438  204.8913  246.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2149  205.4392  246.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0956  204.4503  248.8749 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.4664  203.2701  246.8546 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9957  203.4617  248.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6989  204.6164  248.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2259  204.7498  249.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0644  203.7316  250.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4374  202.5466  250.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9203  202.4095  249.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5951  203.9754  251.9944 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7096  203.7396  253.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3782  203.2472  242.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1898  203.5249  246.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
49.41260764,160.09176261,-82.32971063,130.00547635,204.84566226,204.57314048
246.49827563,2.24510892,0.62543122,-1.74670326

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449055/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.71065

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-0.689347

>  <SCORE.INTRA.DIHEDRAL>
0.519747

>  <SCORE.INTRA.DIHEDRAL.0>
8.91922

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.949221

>  <SCORE.INTRA.VDW.0>
-0.285673

>  <SCORE.INTRA.norm>
-0.0275739

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.348426

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000161

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  197.2126  198.0420  238.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7479  197.0720  239.4721 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3267  197.7859  240.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8298  196.8358  241.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4246  196.8859  242.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9772  195.9166  241.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6142  194.4856  241.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4894  194.0682  240.9770 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6876  193.6608  241.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6356  196.1968  239.8737 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4903  192.7191  241.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9658  196.7199  240.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9722  195.4325  240.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
178.37549969,-72.06457308,-124.30552078,-104.23941828,16.35490538,-179.58551354
198.58204531,196.04016492,240.81567536,2.88192699,-0.94680229,0.70408854

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449056/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.67716

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-5.72284

>  <SCORE.INTRA.DIHEDRAL>
0.31084

>  <SCORE.INTRA.DIHEDRAL.0>
3.90802

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.47826

>  <SCORE.INTRA.VDW.0>
0.984258

>  <SCORE.INTRA.norm>
-0.572284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.467716

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066675

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 47 51  0  0  0  0  0  0  0  0999 V2000
  198.6837  221.8535  261.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9109  220.3653  261.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8676  219.7801  260.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9826  218.4489  260.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9105  217.7629  260.5635 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8568  217.9501  259.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7845  216.6381  258.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7922  216.2399  258.0904 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7746  217.0223  257.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7116  218.3408  257.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8198  218.8952  258.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8693  220.1080  258.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5984  219.2852  257.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2069  218.9155  256.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8767  218.5994  255.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5044  218.3353  254.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4490  218.3855  253.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7708  218.6948  253.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1417  218.9615  254.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4274  219.4019  258.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6224  218.4307  258.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7108  218.6703  259.9078 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5668  219.8358  260.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2269  220.9352  260.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0699  220.7835  258.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4663  221.7730  258.3284 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0498  222.2528  260.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1171  222.5523  261.5841 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0130  223.1205  260.4386 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9395  224.4470  260.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0994  225.2178  260.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6925  219.7599  261.6685 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0565  220.1070  263.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2928  219.1054  263.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0022  218.9082  263.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4225  219.0282  261.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6208  217.1184  258.5368 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7766  216.3793  256.9764 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6211  215.6253  259.4379 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6254  214.9302  258.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3435  213.4573  258.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9940  213.4466  260.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2037  214.7409  260.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6911  215.2400  258.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2892  217.8548  260.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2497  216.9883  257.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0465  215.4548  256.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  2  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  2  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 46  1  0  0  0  0
 38 47  1  0  0  0  0
 39 43  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <CHROM.1>
179.98024515,-0.25128210,-179.72473340,-110.80774376,-3.82098256,-41.31141163
124.12514101,-58.02717507,-3.65248764,124.18867612,-17.46648408,178.23887079
-179.54648502,193.82168245,218.96327093,259.24719070,-0.52649140,-0.36105422
0.95076121

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449067/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.30389

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381395

>  <SCORE.INTRA>
-12.0961

>  <SCORE.INTRA.DIHEDRAL>
-19.3969

>  <SCORE.INTRA.DIHEDRAL.0>
30.7217

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.00234

>  <SCORE.INTRA.VDW.0>
-5.10305

>  <SCORE.INTRA.norm>
-0.281305

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.100091

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  212.5628  177.2080  245.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8115  176.5289  246.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2256  175.3301  245.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3857  174.6865  246.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1638  175.2343  247.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7450  176.4210  247.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5761  177.0643  247.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2689  174.4989  247.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1918  175.1073  248.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7320  176.4116  247.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2920  176.4456  246.6517 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5810  177.5461  248.5162 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0594  178.8454  248.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0167  179.6196  247.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8126  180.8171  247.4430 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3831  178.8379  246.2669 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4858  179.4758  245.6744 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7997  178.7698  244.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1741  177.5003  244.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3358  177.1152  243.2743 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4420  178.1193  242.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7130  179.1865  243.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9329  180.3575  243.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9236  180.4119  242.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6715  179.3394  241.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4337  178.1765  242.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1060  176.7225  240.8409 Br  0  0  0  0  0  0  0  0  0  0  0  0
  211.8845  181.9861  242.5887 Br  0  0  0  0  0  0  0  0  0  0  0  0
  217.1276  176.6763  244.6938 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0451  177.5181  249.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3879  176.2240  242.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.6042  177.1336  245.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <CHROM.1>
171.17080712,-59.51393574,-56.64239544,89.09878697,133.89324613,176.02143856
-5.68289715,0.50787822,214.94166345,178.12650472,244.51834968,2.92060174
-0.85262905,0.21571590

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449068/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.21228

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-13.6123

>  <SCORE.INTRA.DIHEDRAL>
-11.3595

>  <SCORE.INTRA.DIHEDRAL.0>
15.6748

>  <SCORE.INTRA.POLAR>
-0.668519

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.65955

>  <SCORE.INTRA.VDW.0>
-0.414882

>  <SCORE.INTRA.norm>
-0.469389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
-0.0418027

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000062

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  216.2846  190.9745  244.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0458  190.0241  243.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4654  190.1251  243.9198 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8245  189.8454  245.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1307  190.8207  246.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6344  190.7409  246.0990 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9458  189.3883  246.8818 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.3833  188.1797  246.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1969  189.5540  248.3008 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2034  189.5520  246.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5298  190.6458  247.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1791  190.8457  246.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5055  189.9542  246.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1819  188.8583  245.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5355  188.6558  245.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4153  187.9221  244.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2274  188.0463  244.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2035  186.8969  244.2357 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5390  185.9575  243.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1663  186.6224  242.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0456  187.1045  241.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7470  186.6653  241.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6505  186.1649  242.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4194  186.4275  241.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6305  187.1121  240.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2577  187.4480  240.2684 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.4348  187.6265  239.4450 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.1405  191.5239  247.9867 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
61.86505175,-62.28507960,-0.41274248,-179.37401371,66.02657127,59.39776671
-1.85755488,212.74223640,188.66879990,244.16665797,-0.64146033,-0.12459471
-1.90657001

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449069/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.36207

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-4.03793

>  <SCORE.INTRA.DIHEDRAL>
-7.28534

>  <SCORE.INTRA.DIHEDRAL.0>
8.95413

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.395263

>  <SCORE.INTRA.VDW.0>
-1.39943

>  <SCORE.INTRA.norm>
-0.144212

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.298645

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000544

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 59 63  0  0  0  0  0  0  0  0999 V2000
  211.4873  199.2712  239.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9000  199.0421  238.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5248  197.8808  238.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9439  196.8111  239.5551 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6797  197.0196  240.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9634  198.1531  239.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6719  198.2830  240.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2014  199.3661  241.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0003  197.1312  240.9607 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6868  195.5387  239.6612 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.4195  195.3385  241.0039 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.6197  193.8307  241.0054 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.3360  193.3260  240.3227 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.8743  194.3682  239.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4995  191.9943  239.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2817  191.6396  238.9614 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1010  190.1954  238.2859 P   0  0  1  0  0  0  0  0  0  0  0  0
  212.3000  189.0604  239.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6131  190.2036  237.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0605  190.1762  237.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9898  191.1974  235.6150 P   0  0  1  0  0  0  0  0  0  0  0  0
  213.2953  192.4056  236.4908 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4107  190.5705  235.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9190  192.2186  234.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7054  192.0960  233.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4883  192.4559  234.2733 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.2939  192.6879  233.3611 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.1615  192.7167  234.3741 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.6525  191.6602  235.3985 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0525  191.3924  235.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4980  191.9168  236.8084 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5215  191.4177  237.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4958  192.0289  238.8001 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4812  192.9885  238.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9014  194.0005  239.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9300  194.7936  239.2157 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4813  194.5961  237.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1315  193.6988  237.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1298  192.9181  237.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2924  194.2427  240.8109 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0231  194.0526  234.8447 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7057  194.1790  235.9590 P   0  0  0  0  0  0  0  0  0  0  0  0
  207.2498  195.4755  236.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7336  194.6760  234.7565 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3884  194.3054  237.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0530  191.6325  232.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.8284  193.4802  240.3237 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6771  195.7038  242.1713 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3074  196.2048  240.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1005  197.2236  241.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5318  190.7599  236.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2610  189.7544  234.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3017  194.4412  240.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.6121  193.6170  241.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2900  194.9571  234.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7922  194.0436  237.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.2913  191.8715  231.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9727  192.5193  240.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4688  196.6539  242.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10  4  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 47  1  6  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 41  1  1  0  0  0
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 45 56  1  0  0  0  0
 46 57  1  0  0  0  0
 47 58  1  0  0  0  0
 48 59  1  0  0  0  0
M  END
>  <CHROM.1>
99.17038702,-26.06266438,-61.39217438,177.34892925,-178.28221907,-171.52099246
58.86742874,73.05691790,-61.79128090,64.00203504,86.10368491,82.84187060
60.64008380,164.18651070,-178.32601427,177.70090847,100.33677013,-57.41438747
159.94830629,-16.60833444,-146.27243135,210.75247878,193.63288215,237.72372905
1.13951275,-0.42341376,0.66330838

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449070/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-9.90236

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.404167

>  <SCORE.INTRA>
-29.3024

>  <SCORE.INTRA.DIHEDRAL>
-12.4993

>  <SCORE.INTRA.DIHEDRAL.0>
29.479

>  <SCORE.INTRA.POLAR>
-2.61162

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-14.1732

>  <SCORE.INTRA.VDW.0>
-0.470928

>  <SCORE.INTRA.norm>
-0.610466

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
-0.206299

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008232

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 36  0  0  0  0  0  0  0  0999 V2000
  188.7988  219.4628  257.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3823  219.2271  258.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8795  219.8374  259.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3344  218.3342  258.9818 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1609  218.8323  259.5708 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9444  218.8085  260.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1522  217.7797  261.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6887  216.4153  261.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0567  216.1107  260.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7528  215.4210  262.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3949  214.2633  262.3445 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.4126  215.9359  263.7368 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.5171  215.0606  263.1035 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.4319  220.1128  261.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1208  221.0397  260.6315 F   0  0  0  0  0  0  0  0  0  0  0  0
  184.3124  219.9037  262.3120 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.3522  220.6709  262.3992 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.9020  220.4096  256.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3153  221.3770  256.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5620  220.0441  256.7327 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8730  219.8565  255.5202 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9097  218.6603  254.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4901  217.4401  255.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8893  217.0747  256.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8922  217.8817  257.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2567  215.6849  256.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2102  215.5097  255.7809 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.1429  214.6901  256.3651 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.7699  215.4460  257.8836 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.5809  218.7183  253.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0100  219.9692  253.1112 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.6579  217.8953  253.3502 F   0  0  0  0  0  0  0  0  0  0  0  0
  185.7285  218.3349  252.4341 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.5326  217.3506  259.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.3254  218.5859  259.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.3220  219.3765  257.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.9521  220.3206  255.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
-96.95944865,129.10407191,-118.44562812,-89.58529346,-46.00446279,7.37388560
2.76898623,-172.67597242,-124.35376841,83.83112711,61.33908147,-1.47775209
-9.90792604,-61.70373454,186.22048025,218.00856256,258.38538098,-1.58221591
1.20516124,1.75613400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449071/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.08046

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.587879

>  <SCORE.INTRA>
-15.3195

>  <SCORE.INTRA.DIHEDRAL>
-3.54825

>  <SCORE.INTRA.DIHEDRAL.0>
12.7398

>  <SCORE.INTRA.POLAR>
-2.67031

>  <SCORE.INTRA.POLAR.0>
-1.11251

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.46636

>  <SCORE.INTRA.VDW.0>
-2.81613

>  <SCORE.INTRA.norm>
-0.464228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.12365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000296

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  196.8433  223.3917  252.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0867  222.8739  250.6606 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6407  223.8710  249.5636 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7062  223.2520  248.1538 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4790  224.2730  247.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2739  224.5423  246.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2470  224.8325  247.1219 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9977  222.6681  247.9126 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3303  224.4078  249.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4852  222.5964  250.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4379  223.4677  252.3239 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1307  225.4695  246.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9392  222.2633  247.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0762  224.9290  249.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6116  222.3544  249.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0549  224.0067  251.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  1  0  0  0
  4  5  1  6  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <CHROM.1>
67.78320253,-54.14299310,-171.79140934,-174.58065525,-171.18130381,-172.55128905
120.46974002,177.31036044,-178.80809629,196.67079585,223.66245111,249.20109891
-1.58787850,0.53672638,-1.35870314

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449072/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.3738

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-11.7738

>  <SCORE.INTRA.DIHEDRAL>
-7.0206

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-2.36067

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.23723

>  <SCORE.INTRA.VDW.0>
0.164962

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
-0.2158

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008894

$$$$
rDock on collection 9274/Array of sdfs_006832.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  208.4119  188.4227  245.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5898  187.6856  246.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9699  186.5442  245.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6960  188.6291  246.8325 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4385  188.1348  248.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6663  188.2775  249.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4762  189.6430  249.7778 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6247  190.3357  248.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2728  190.0136  248.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3674  190.6382  248.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8051  191.5805  247.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1641  191.8560  247.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0527  191.3053  248.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8639  192.1300  246.2945 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5771  193.3923  246.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1545  194.5436  246.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7993  194.3455  248.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4854  195.3973  248.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4586  196.6722  248.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7420  196.8998  247.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1008  195.8376  246.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6715  193.7575  245.1223 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2517  192.9699  244.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7716  191.6946  243.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2591  190.8912  242.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1883  191.3351  241.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6814  192.6162  242.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2129  193.4269  243.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7373  190.4624  241.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7153  190.9858  239.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6497  189.0030  245.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0226  189.5905  244.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6884  190.0570  246.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1984  194.6456  245.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
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 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
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 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
150.36606730,-73.14494434,54.88919434,-67.89067163,67.84452938,71.57853517
123.11691879,-16.58638774,-3.30410602,-124.37250433,207.93652385,191.39495581
245.97037392,0.04573493,0.78424048,-2.59826488

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449082/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32933

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-8.07067

>  <SCORE.INTRA.DIHEDRAL>
-0.0844891

>  <SCORE.INTRA.DIHEDRAL.0>
15.7125

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.02843

>  <SCORE.INTRA.VDW.0>
9.76576

>  <SCORE.INTRA.norm>
-0.244566

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.222101

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001378

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  196.9588  207.6160  258.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0798  206.9687  259.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7827  206.6842  258.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3423  207.0209  257.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2545  207.6308  256.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5456  207.9580  257.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9139  208.0148  255.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8193  208.5377  254.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8733  207.8896  254.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4984  208.4350  252.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3704  208.3884  251.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6162  207.7946  251.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9957  207.2303  253.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1202  207.2626  254.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5035  207.7409  250.8380 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9320  206.6190  257.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4608  205.6090  257.6786 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1659  207.4768  256.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1102  208.1735  250.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6330  208.2573  256.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <CHROM.1>
-32.78189426,42.03949228,-172.34096382,0.47030041,8.58217319,195.45792768
207.49166609,255.37147189,-2.09398812,-0.02676335,-1.41199178

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449083/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36463

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-2.03537

>  <SCORE.INTRA.DIHEDRAL>
-2.80222

>  <SCORE.INTRA.DIHEDRAL.0>
13.5819

>  <SCORE.INTRA.POLAR>
-0.154851

>  <SCORE.INTRA.POLAR.0>
-0.555338

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.107763

>  <SCORE.INTRA.VDW.0>
0.281004

>  <SCORE.INTRA.norm>
-0.113076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.353591

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.064836

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  217.1504  188.0032  254.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4956  186.8698  253.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7301  186.6355  252.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9062  185.2948  251.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1528  184.9194  250.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2507  185.9009  249.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0244  187.2431  249.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7630  187.6092  251.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5726  185.5158  248.3045 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0266  186.3161  247.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0044  185.5191  246.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3787  185.9446  244.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1449  187.4265  244.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1215  188.3901  245.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5856  188.0126  246.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4809  187.6033  247.3991 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6272  184.2180  246.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5405  184.2085  247.9393 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4545  182.9729  245.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7064  183.0073  244.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5491  181.8817  243.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1762  180.6755  244.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9478  180.6086  245.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0609  181.7485  246.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7348  181.5117  247.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3580  180.2677  248.2634 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.8299  181.7797  248.6639 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.7734  182.3695  248.3346 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.6319  187.9295  248.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
139.31680465,-163.16046425,1.27877731,179.31271151,217.42467484,184.66552952
247.98330829,1.66895057,1.25218804,0.82762843

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449084/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.74521

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-2.65479

>  <SCORE.INTRA.DIHEDRAL>
-5.98885

>  <SCORE.INTRA.DIHEDRAL.0>
9.76833

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.33963

>  <SCORE.INTRA.VDW.0>
-0.11226

>  <SCORE.INTRA.norm>
-0.0948141

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.2409

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001189

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  195.1105  201.4998  247.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2206  202.2932  248.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5713  201.6769  249.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5683  202.2748  250.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1884  203.2617  249.9472 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7557  201.6012  251.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9908  200.0767  251.5058 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6806  199.5616  252.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9436  200.5906  252.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5527  201.8095  252.4897 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7076  200.3257  253.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2776  198.9948  253.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1048  197.9971  252.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3091  198.2681  251.9787 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7072  196.5519  252.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2730  199.6500  250.1745 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9298  202.2059  252.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8629  202.7734  253.5318 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0883  202.0805  251.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2568  202.6396  252.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4265  202.4097  251.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5450  199.9613  249.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  6  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
179.91984526,-2.71081453,54.33537725,118.34518155,-55.28397480,178.85831012
-179.77640573,197.37366852,200.93072199,251.42634477,2.71108513,0.51419363
2.16452899

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449086/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.952978

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-10.447

>  <SCORE.INTRA.DIHEDRAL>
-15.9113

>  <SCORE.INTRA.DIHEDRAL.0>
17.35

>  <SCORE.INTRA.POLAR>
-0.600326

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.450258

>  <SCORE.INTRA.VDW.0>
-0.461181

>  <SCORE.INTRA.norm>
-0.497477

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.0453799

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000029

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  191.5484  226.5362  263.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9250  226.2441  264.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3126  225.2813  265.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8944  225.2144  266.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4533  224.3134  267.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4089  223.4516  267.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8054  223.5007  265.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2497  224.4112  264.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5886  224.3722  263.7116 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6972  222.5544  265.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8997  222.7431  264.6025 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8404  221.8563  264.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0165  222.1462  263.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9063  221.3215  262.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6077  220.2183  263.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4347  219.9411  264.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5299  220.7702  265.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4875  219.4939  263.4208 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.9386  220.0487  262.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7219  221.4377  261.7442 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.4909  219.3864  261.6360 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.4612  217.7314  262.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5611  216.8667  261.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3236  215.9646  260.9893 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8315  217.1588  262.2383 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0073  216.4242  261.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9016  217.3306  260.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2062  216.6443  260.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9489  216.1086  261.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0665  215.1669  262.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7649  215.8468  262.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6962  224.0299  263.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.9502  217.9386  262.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.91234049,163.85035780,-154.52704914,179.15460531,-16.02531200,-71.81896738
-105.96952601,112.17597937,186.44245483,220.61813311,263.35803614,0.81049724
-0.24663429,0.21696264

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449087/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.3035

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-7.0965

>  <SCORE.INTRA.DIHEDRAL>
-0.680502

>  <SCORE.INTRA.DIHEDRAL.0>
5.68418

>  <SCORE.INTRA.POLAR>
-1.50643

>  <SCORE.INTRA.POLAR.0>
-0.278183

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.63439

>  <SCORE.INTRA.VDW.0>
1.03713

>  <SCORE.INTRA.norm>
-0.228919

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.171081

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000036

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  218.3432  192.7777  232.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9668  191.6573  233.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3850  191.0381  234.2625 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1184  191.3787  234.6554 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4794  190.7257  235.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9928  189.8282  236.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1233  191.2137  235.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1878  190.8206  236.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0355  191.6181  236.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3064  192.4651  235.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5901  192.2256  235.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4734  193.4852  235.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3282  193.7321  235.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1035  194.1427  233.9468 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4752  195.1283  233.2284 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0885  195.7368  232.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5157  195.4584  231.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3539  196.8124  231.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9779  197.4908  230.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2712  198.4761  229.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9843  198.8029  230.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3301  198.1552  231.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0249  197.1525  231.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4820  199.8038  229.3202 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6250  200.1137  228.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7424  199.2267  228.7151 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3659  191.2379  232.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0294  191.8565  231.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2838  191.3983  231.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8999  190.3733  232.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2947  189.7531  233.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0155  190.1914  233.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1201  190.0730  231.5916 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1930  191.0116  230.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0391  191.8756  230.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6087  192.1192  234.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0371  193.8398  233.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 35  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
-0.44149597,179.84944035,179.64197982,0.37065375,179.54186044,-179.90357471
216.00146396,193.64975175,232.75732267,-0.50912330,0.38660307,-0.82873413

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449089/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.3686

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325714

>  <SCORE.INTRA>
-0.0313684

>  <SCORE.INTRA.DIHEDRAL>
-0.0677931

>  <SCORE.INTRA.DIHEDRAL.0>
0.07808

>  <SCORE.INTRA.POLAR>
-0.00281262

>  <SCORE.INTRA.POLAR.0>
-0.192476

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.012091

>  <SCORE.INTRA.VDW.0>
1.64432

>  <SCORE.INTRA.norm>
-0.000896241

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.324818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000012

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  216.8112  201.2466  250.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6898  202.2243  250.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4299  202.8844  248.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2916  202.5644  248.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3913  201.6122  248.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6636  200.9378  249.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1080  203.2572  246.9495 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5587  202.6001  245.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7459  201.2376  245.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0828  200.6180  244.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2861  201.3651  243.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1695  202.7503  243.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8060  203.3635  244.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5963  200.6280  242.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8009  199.4162  242.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7526  201.4240  241.6178 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0750  201.0059  240.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9940  201.2974  242.0950 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.1881  202.1683  241.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6547  199.9007  242.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0650  201.9646  243.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5219  201.5458  239.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.5515  201.3376  244.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 16 14  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
144.09671320,-31.66033740,-2.50484215,133.21498565,-179.36068363,173.44352960
-69.83320937,214.00363476,201.59614870,244.79132599,0.96228084,0.12371340
1.52374840

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449090/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.7814

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-2.6186

>  <SCORE.INTRA.DIHEDRAL>
-5.38987

>  <SCORE.INTRA.DIHEDRAL.0>
9.68345

>  <SCORE.INTRA.POLAR>
0.182804

>  <SCORE.INTRA.POLAR.0>
-0.182804

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.545197

>  <SCORE.INTRA.VDW.0>
-1.28244

>  <SCORE.INTRA.norm>
-0.124695

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.370543

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000498

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  208.8946  200.0821  247.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3724  201.5051  247.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5740  201.7814  248.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0099  203.0248  248.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1153  203.8633  247.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1385  203.1400  249.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6838  202.9999  249.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8331  203.9108  249.6548 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6381  203.4517  249.2150 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7881  202.2346  248.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4860  201.4073  247.9638 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.1408  201.9519  248.5976 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8446  200.7677  248.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3830  199.4699  248.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9821  198.2118  248.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7793  198.1822  246.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3960  199.4148  245.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7868  200.6996  246.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7717  203.9549  249.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-178.67140445,1.86877881,-102.29650688,-126.70950827,116.13638375,205.00668062
201.44436156,248.06171007,0.27906606,-0.11582346,-2.74896508

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449091/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.77387

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-3.62613

>  <SCORE.INTRA.DIHEDRAL>
-3.98744

>  <SCORE.INTRA.DIHEDRAL.0>
9.02081

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.63241

>  <SCORE.INTRA.VDW.0>
-1.45318

>  <SCORE.INTRA.norm>
-0.201452

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.376326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001237

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  220.8793  194.3785  237.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0592  194.1587  238.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0850  192.8215  239.4609 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1748  192.4901  240.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6008  192.6980  241.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7631  192.3869  242.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4930  191.8646  242.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0616  191.6527  241.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9018  191.9623  240.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6475  191.5427  238.4592 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.6519  191.2847  237.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0201  191.8161  238.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6706  190.1229  239.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8792  188.9968  239.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9020  187.9314  240.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7400  187.9650  241.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5497  189.0849  241.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5385  190.1437  240.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6797  186.8881  242.2654 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3870  186.6351  243.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7249  187.4262  244.0462 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.9510  185.5358  244.1556 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9005  184.6672  243.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2008  184.7646  242.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6942  183.5688  244.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8540  182.6057  244.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8383  182.7169  245.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8732  181.7841  246.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9345  180.7320  245.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9716  180.6219  244.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9379  181.5563  244.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0508  186.1280  241.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.5251  185.3510  244.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-74.30974389,-92.46764064,-70.11059835,117.98500172,178.43265164,-65.84172786
99.94461577,222.47492463,188.32059324,241.75847759,-1.82778237,-0.84127126
2.43873454

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449092/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1176

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.28238

>  <SCORE.INTRA.DIHEDRAL>
-1.69521

>  <SCORE.INTRA.DIHEDRAL.0>
6.43731

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.43477

>  <SCORE.INTRA.VDW.0>
-4.07656

>  <SCORE.INTRA.norm>
-0.073625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.326375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000326

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  214.5797  195.1379  240.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5457  196.2466  240.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1513  195.9604  241.2872 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.2861  195.6873  242.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0863  196.2779  243.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3916  194.8186  243.3534 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4675  194.0611  242.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6013  193.4809  243.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6025  193.9787  241.3301 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4935  194.7420  240.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7026  194.4948  239.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8076  192.9943  240.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2379  197.1770  241.1318 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0173  197.5613  239.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9260  197.0506  241.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3623  194.7877  244.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
59.23402585,60.12394385,211.51762656,195.30785072,241.53955975,-0.45642794
0.70521386,1.74742395

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449093/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.82659

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.573408

>  <SCORE.INTRA.DIHEDRAL>
-0.00234645

>  <SCORE.INTRA.DIHEDRAL.0>
0.0345783

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.572235

>  <SCORE.INTRA.VDW.0>
3.3261

>  <SCORE.INTRA.norm>
-0.0382272

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.455106

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031873

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 27  0  0  0  0  0  0  0  0999 V2000
  220.3918  183.9669  251.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4720  183.1296  253.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4754  182.5400  253.4164 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2711  183.1224  253.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2419  182.3424  254.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8384  182.4016  255.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.4756  183.7899  256.0877 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.2705  184.0976  257.3680 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.1052  182.9634  258.3974 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.4400  181.6049  257.7429 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.6641  181.3963  256.5544 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1648  180.5233  258.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5207  179.2986  258.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0633  179.0874  257.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1916  178.2282  259.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7259  182.9278  258.8585 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5043  182.2915  260.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3678  181.8405  260.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0410  182.2692  260.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7512  185.3185  257.9509 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3760  185.8312  259.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3755  185.3717  259.5709 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6724  187.0814  259.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7545  184.8142  255.1125 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9704  184.8206  254.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0423  184.0550  253.7930 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3528  185.9602  253.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  6  0  0  0
  8  9  1  0  0  0  0
  8 20  1  1  0  0  0
  9 10  1  0  0  0  0
  9 16  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
-179.95989739,-179.94723861,-67.88864890,68.32820352,-175.17440069,-160.07019803
-175.51976784,1.72604955,5.56451650,1.89868655,2.00997438,218.13174723,182.99746740
256.80394719,-0.85701533,-1.20228383,2.59821783

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449094/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1311

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.607407

>  <SCORE.INTRA>
-5.26894

>  <SCORE.INTRA.DIHEDRAL>
-12.9055

>  <SCORE.INTRA.DIHEDRAL.0>
15.7499

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.18381

>  <SCORE.INTRA.VDW.0>
-2.85135

>  <SCORE.INTRA.norm>
-0.195146

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.412262

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008443

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 61 67  0  0  0  0  0  0  0  0999 V2000
  203.5457  220.9611  254.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0812  220.7436  253.9090 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.6701  220.8027  252.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2577  220.4612  252.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7871  219.0508  252.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6305  217.7315  252.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1730  217.4429  252.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6681  216.2283  253.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8302  215.1597  253.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5133  215.2891  252.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8161  216.5230  252.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3418  216.5034  252.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6092  217.7441  251.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3513  219.0011  251.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6611  220.2589  251.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2320  220.2699  251.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6247  221.2617  250.8028 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4958  219.0722  251.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0687  217.9163  251.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2234  216.8761  252.1147 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6989  216.8240  253.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2155  221.5456  251.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5217  221.6525  251.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1599  222.8499  252.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9087  223.5503  253.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5148  222.7019  251.2921 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6890  215.0855  252.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4092  213.9841  252.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8419  213.9977  252.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4556  212.9517  252.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3366  214.9450  252.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8210  213.9706  251.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3242  213.9784  253.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9816  216.1970  253.4776 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3258  216.7632  254.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4173  218.2023  251.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6068  218.5737  250.3851 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9841  218.9791  249.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9734  217.6436  249.4769 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6329  217.8800  249.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0025  218.8637  249.6679 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0900  216.8368  248.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7068  216.9665  248.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9261  215.9694  249.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5516  216.1614  249.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9829  217.3408  248.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7535  218.2930  247.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1144  218.1208  247.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6613  217.6144  248.8127 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6326  219.5635  254.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3017  219.5016  254.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4847  220.4226  254.8111 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0013  218.1289  255.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0400  217.2677  255.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7526  215.9950  256.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4263  215.5743  256.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3887  216.4283  255.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6758  217.7051  255.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6798  222.4974  250.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2912  214.1031  253.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4775  218.4858  248.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 50  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4  5  2  0  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 29  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 33 60  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 48  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 49  1  0  0  0  0
 47 48  2  0  0  0  0
 49 61  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 58  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
 57 58  2  0  0  0  0
M  END
>  <CHROM.1>
174.28352021,156.05561215,-77.72426481,-48.10795340,79.85160746,-8.12715503
93.21695374,-20.73749922,-99.49349271,129.21082728,-164.28685839,82.65147181
9.97493027,176.24698550,-117.64120426,178.23596603,-17.45827265,14.55759595
199.65497856,217.92521355,252.07474963,-0.05934544,-0.39068988,-0.12184539

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449095/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-12.7827

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.351724

>  <SCORE.INTRA>
-33.1827

>  <SCORE.INTRA.DIHEDRAL>
-15.3487

>  <SCORE.INTRA.DIHEDRAL.0>
47.3579

>  <SCORE.INTRA.POLAR>
-0.113377

>  <SCORE.INTRA.POLAR.0>
-0.0662308

>  <SCORE.INTRA.REPUL>
-0.642614

>  <SCORE.INTRA.REPUL.0>
0.642614

>  <SCORE.INTRA.VDW>
-21.9099

>  <SCORE.INTRA.VDW.0>
8.5404

>  <SCORE.INTRA.norm>
-0.572116

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
58

>  <SCORE.norm>
-0.220392

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020132

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  189.4414  200.8761  249.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7598  200.8678  250.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0465  200.3963  250.8463 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5383  200.0657  249.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7490  199.5405  249.3615 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9312  199.3188  248.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0790  199.5634  247.0348 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8811  200.1068  247.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5609  200.3612  248.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0212  200.3685  246.2699 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8013  200.2464  252.0752 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8699  198.8211  252.6419 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.0577  198.9797  253.5793 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0073  199.8391  252.7219 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1754  200.6594  251.8594 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9392  200.7623  253.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1640  201.7317  254.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6066  199.6036  254.7839 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1850  197.7979  251.6851 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1495  199.8698  246.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.9619  201.3343  245.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.5349  201.2170  254.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9439  199.0262  255.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8189  198.1500  251.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11  3  1  6  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  6  0  0  0
 13 14  1  0  0  0  0
 13 18  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <CHROM.1>
100.74336875,120.94519979,35.70004144,62.04753432,-63.76867877,55.30339554
192.09103089,199.99195596,250.85903273,1.98865841,0.17061136,-1.64703058

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449096/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.68321

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-10.0832

>  <SCORE.INTRA.DIHEDRAL>
-11.072

>  <SCORE.INTRA.DIHEDRAL.0>
16.959

>  <SCORE.INTRA.POLAR>
-0.824814

>  <SCORE.INTRA.POLAR.0>
-0.735836

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.74285

>  <SCORE.INTRA.VDW.0>
-0.288261

>  <SCORE.INTRA.norm>
-0.530695

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
-0.0885899

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004545

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  192.3575  200.4130  243.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4553  200.9220  244.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4955  201.4054  244.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3216  200.8307  245.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.1976  201.2851  246.6279 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1171  200.5799  247.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9522  201.6853  248.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9581  201.4458  248.8141 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3980  202.9063  247.8411 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4406  202.7803  246.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8266  203.6648  246.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7952  204.1341  248.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7918  204.1941  249.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1718  205.4207  250.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5804  206.6137  249.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6088  206.5780  248.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2226  205.3536  248.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3846  205.4647  251.2250 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.7451  200.9594  246.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1992  200.3564  245.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0957  200.2671  244.7821 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8304  199.7893  245.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1043  199.8437  246.8601 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5418  199.1692  244.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2352  198.5909  244.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1472  199.3108  244.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  1  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
0.06371999,0.90934470,179.20739309,191.64957146,202.29804848,247.17646479
-2.23856443,0.20484434,0.87724904

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449097/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.90562

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336

>  <SCORE.INTRA>
-0.494379

>  <SCORE.INTRA.DIHEDRAL>
-1.53462

>  <SCORE.INTRA.DIHEDRAL.0>
1.58177

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.272933

>  <SCORE.INTRA.VDW.0>
1.63638

>  <SCORE.INTRA.norm>
-0.0197751

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.316225

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000801

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  212.6109  199.4879  244.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0816  199.6077  244.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7304  200.9010  244.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4864  199.5036  242.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4908  198.1184  242.1212 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6967  198.1942  240.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8596  197.6594  241.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0729  197.2397  241.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4873  196.7503  241.3349 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2153  197.7831  240.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2529  196.5163  242.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7683  195.3541  243.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7539  194.9808  244.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4258  195.7260  244.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4413  195.5466  240.5761 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8461  197.1480  242.9399 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9317  194.9017  241.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.3606  197.0600  243.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
72.50666180,172.50996078,86.39378820,-63.27839009,-167.74870231,67.55318675
-58.86139862,166.59556837,212.69803402,197.50989100,242.70337772,-2.84489704
0.59369748,-1.85438673

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449107/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0888

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-1.31124

>  <SCORE.INTRA.DIHEDRAL>
-0.195204

>  <SCORE.INTRA.DIHEDRAL.0>
2.10198

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21364

>  <SCORE.INTRA.VDW.0>
-0.928869

>  <SCORE.INTRA.norm>
-0.0819524

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.630548

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001238

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  189.8375  219.7972  257.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2165  218.8106  258.7693 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.2499  217.8505  258.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6882  219.0087  259.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2466  218.6351  259.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8313  218.1291  259.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7288  216.6336  258.9929 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.2627  216.2321  258.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7012  215.1964  259.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4026  214.7504  259.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6567  215.3277  258.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2051  216.3480  257.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4973  216.7962  257.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5082  216.3797  257.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5025  215.3673  257.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0897  215.0753  256.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6995  215.8119  255.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7957  216.8626  255.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2668  217.1394  256.5746 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.6927  217.9933  256.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  2   2   1  19   1
M  END
>  <CHROM.1>
61.60711830,70.50105851,170.64738692,-117.39148531,125.03114113,187.91995625
216.87419174,258.01337308,0.19350609,0.40552937,0.90548816

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449108/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.36388

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-2.03612

>  <SCORE.INTRA.DIHEDRAL>
-0.449486

>  <SCORE.INTRA.DIHEDRAL.0>
2.73778

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.81138

>  <SCORE.INTRA.VDW.0>
-0.910029

>  <SCORE.INTRA.norm>
-0.113118

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.46466

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000455

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  185.6137  216.4992  253.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9632  217.3793  254.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0434  216.5722  255.2568 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3743  217.1786  256.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1459  218.5530  256.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4823  219.0767  257.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0157  218.2320  258.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2095  216.8573  258.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8984  216.3281  257.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2044  214.8916  257.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4448  214.3914  257.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6528  215.2434  257.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7927  216.3422  257.5439 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6809  214.6457  256.3608 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8986  213.2986  256.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3077  212.7941  255.5349 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.9220  212.4828  256.8789 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5951  212.9138  257.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6137  212.1781  257.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2964  211.2742  257.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3635  210.3136  257.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7637  209.2566  258.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0784  209.1407  259.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0182  210.0839  258.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6301  211.1392  258.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8622  208.3442  259.1634 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.4872  215.2342  256.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
178.13340315,24.06043709,50.39972531,-169.06116817,185.20313667,213.95076377
257.03514928,-2.03331515,-0.57738129,2.66255575

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449110/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.36401

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-4.03599

>  <SCORE.INTRA.DIHEDRAL>
-10.0767

>  <SCORE.INTRA.DIHEDRAL.0>
20.73

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.00236

>  <SCORE.INTRA.VDW.0>
-1.18776

>  <SCORE.INTRA.norm>
-0.15523

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.206308

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 63 68  0  0  0  0  0  0  0  0999 V2000
  186.1861  220.2719  258.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2352  221.1643  258.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0232  221.7599  259.8406 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3871  221.2144  258.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5614  221.9162  258.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6193  221.8980  257.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7982  222.5982  257.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9460  223.2952  258.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8983  223.2862  259.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7154  222.6070  259.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5035  224.0859  259.2287 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.6621  222.7474  258.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9396  221.8806  260.0574 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.8813  220.7210  259.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1460  219.7700  258.7508 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.8711  219.5983  259.3578 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9632  220.5761  259.8921 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.7366  221.4144  260.7299 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5181  220.0121  260.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0732  220.6083  261.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7806  220.3411  262.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8473  219.4889  261.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1826  218.8196  260.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5524  219.0714  259.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1360  217.9624  259.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9435  217.4439  260.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0874  216.6050  259.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3191  216.3409  258.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4465  216.8685  257.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3239  217.6005  258.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7573  216.5633  255.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0325  217.0916  255.4759 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3472  218.4417  255.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5850  219.2766  256.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7433  218.8474  255.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8687  218.7369  256.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0055  217.3390  256.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3036  216.2563  255.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0707  214.8378  256.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6218  214.0442  254.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3146  213.1540  254.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3833  214.4420  254.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4698  213.4292  254.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4810  213.5582  255.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5084  212.5886  255.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5814  211.5719  254.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5469  211.5618  253.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4932  212.4890  253.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5094  212.2729  252.7275 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9323  218.4147  258.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7832  218.2160  257.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4875  216.9947  257.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3634  215.9102  258.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4825  216.0713  259.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8203  217.3027  259.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0929  214.6017  257.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3132  213.6702  257.0689 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3553  220.7884  257.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.6583  216.4622  254.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3048  215.0235  253.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4008  212.1594  253.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.5413  212.9859  252.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0746  214.1059  256.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 58  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 59  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 60  1  0  0  0  0
 43 48  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 61  1  0  0  0  0
 49 62  1  0  0  0  0
 50 55  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 53 56  1  0  0  0  0
 54 55  2  0  0  0  0
 56 57  1  0  0  0  0
 57 63  1  0  0  0  0
M  END
>  <CHROM.1>
-177.77461727,-47.55734370,-89.17018037,177.83404689,-94.74006418,138.44435717
-19.40285691,-175.50894841,-56.13171345,-85.38159925,55.96710468,60.15193036
-164.11900658,147.70472562,112.08897583,-116.58914163,108.75337626,52.82709260
-91.54975704,57.12416156,191.26425061,218.18676797,257.80351237,1.28890295
-0.04400341,0.50053654

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449111/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.39649

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42807

>  <SCORE.INTRA>
-22.0035

>  <SCORE.INTRA.DIHEDRAL>
0.481989

>  <SCORE.INTRA.DIHEDRAL.0>
15.8743

>  <SCORE.INTRA.POLAR>
-2.31684

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-14.3672

>  <SCORE.INTRA.VDW.0>
-1.36309

>  <SCORE.INTRA.norm>
-0.386026

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
57

>  <SCORE.norm>
0.0420437

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.077135

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  203.1021  212.4478  259.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8849  211.2263  259.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7685  210.6195  258.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5117  209.4348  258.9686 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8815  209.4422  259.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6568  210.3622  258.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2273  208.1636  259.4924 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1122  207.3837  259.6434 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1317  208.1799  259.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4653  207.7071  259.3471 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.5380  205.8680  259.4980 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1695  205.2215  259.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4944  205.2726  258.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4711  204.5934  258.7383 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2367  205.6772  257.1298 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7018  206.9163  256.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7480  207.8410  256.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1335  209.0860  255.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4852  209.4073  255.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4533  208.4957  256.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0657  207.2484  256.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3339  206.1072  256.8076 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.9641  210.9329  254.9531 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.0550  207.4871  256.2407 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.1672  207.8425  259.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3609  205.3345  256.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-179.23229715,-112.75642067,166.81391437,-170.44304048,121.62936652,81.99081681
-120.07610109,204.93872232,208.12343871,257.71015375,1.28640855,0.42462803
-0.09836084

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449113/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.80583

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-7.59417

>  <SCORE.INTRA.DIHEDRAL>
-0.693503

>  <SCORE.INTRA.DIHEDRAL.0>
5.25139

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.24742

>  <SCORE.INTRA.VDW.0>
-1.86591

>  <SCORE.INTRA.norm>
-0.316424

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.200243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 43  0  0  0  0  0  0  0  0999 V2000
  196.5391  201.8148  254.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7582  201.6577  256.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6621  202.9501  256.6729 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9923  202.9894  257.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5095  202.0044  258.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9802  204.2528  258.4016 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4302  204.4654  259.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5111  204.9503  260.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2515  206.0921  260.1637 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7929  205.8866  258.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7158  205.3833  257.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4365  207.2067  260.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9159  207.2755  262.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2001  208.3371  260.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2912  209.5382  261.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0098  210.3908  260.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3352  209.6675  259.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9132  208.4208  259.2957 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0060  210.3829  258.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8167  211.0788  256.9771 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.6307  211.8132  258.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8714  212.8230  258.8306 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8715  212.8571  259.7603 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0187  211.8770  259.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3698  211.2805  258.2793 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6365  210.3369  257.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.3414  208.3312  255.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
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  193.8380  211.5755  260.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2378  210.1787  260.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8505  210.0270  260.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2986  208.7715  259.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1208  207.6507  259.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4865  207.7781  259.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0384  209.0315  260.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <CHROM.1>
-179.68447855,1.06791667,171.44963592,-89.55118066,45.17155808,64.40476081
-161.18164426,55.61976511,-130.28215847,195.37089550,208.16557747,258.66402492
-1.59572145,-0.04367035,0.14517263

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449122/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.88449

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.369231

>  <SCORE.INTRA>
-7.51551

>  <SCORE.INTRA.DIHEDRAL>
0.603779

>  <SCORE.INTRA.DIHEDRAL.0>
15.3585

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.8174

>  <SCORE.INTRA.VDW.0>
-2.63312

>  <SCORE.INTRA.norm>
-0.192706

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.176525

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000309

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  192.1547  219.1493  257.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1010  218.6407  258.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0162  217.8542  258.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3143  217.5805  259.5026 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8668  218.2067  260.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0133  218.8702  260.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9863  219.6234  260.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9926  220.1135  260.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7696  219.8319  262.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2323  218.0197  261.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6656  217.3721  257.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3811  217.6033  256.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.3325  216.6359  256.8271 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3289  215.2580  257.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0085  217.6114  257.5339 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.5142  216.9618  259.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
2.60333047,-0.94802811,-70.21344952,189.91777969,218.10424868,258.91539132
-0.81261391,-0.42986892,-1.78270433

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449123/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.05963

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-1.34037

>  <SCORE.INTRA.DIHEDRAL>
-2.66375

>  <SCORE.INTRA.DIHEDRAL.0>
4.32988

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00849492

>  <SCORE.INTRA.VDW.0>
0.0571266

>  <SCORE.INTRA.norm>
-0.0893579

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.470642

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 60  0  0  0  0  0  0  0  0999 V2000
  191.6750  215.8061  259.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8691  216.2496  260.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3199  215.6265  261.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4804  216.0823  261.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1333  217.1997  261.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6714  217.8231  260.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5884  217.3210  259.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3170  219.0057  259.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2153  219.6920  258.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1799  220.7391  258.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8341  220.6123  259.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2495  219.5805  260.5266 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8536  221.3974  260.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2157  222.4324  259.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6256  222.6839  258.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6047  221.7898  257.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9335  223.8094  257.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0846  224.2505  257.3635 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0785  224.3739  256.2608 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6542  224.0787  255.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4290  222.8049  255.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6882  224.1935  257.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7210  225.4611  255.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8623  225.0938  253.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0370  226.8228  255.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2988  219.3569  257.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0256  219.2739  256.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1821  218.3202  256.0074 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7052  216.9381  255.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4980  216.0763  256.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5461  215.0968  257.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7475  214.3749  258.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8846  214.7580  259.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5864  216.1366  258.3083 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.4944  214.0663  260.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6682  214.4499  260.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2254  213.7866  261.9239 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6013  212.6665  262.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4331  212.1925  261.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8783  212.9074  260.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1044  218.7480  254.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9923  219.9048  255.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2577  221.0829  254.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2853  221.8447  255.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7876  221.2224  256.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8532  219.8335  256.7946 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.9490  221.5868  257.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7399  222.7010  256.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7741  223.1410  257.7054 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0399  222.4356  258.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3262  221.3138  259.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2691  220.8871  258.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0988  215.4521  263.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5286  219.2736  261.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 53  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 54  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 41  1  0  0  0  0
 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 41 42  1  0  0  0  0
 42 46  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 52  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
M  END
>  <CHROM.1>
167.72918594,-129.11826950,25.56254750,-78.53436064,115.36330104,55.39654872
83.83741567,-95.53857177,78.91951480,146.36698679,177.45465355,-131.27363119
0.21717542,196.96588056,219.34373456,258.20010102,1.91540115,0.24101450,2.63079840

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449124/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.555881

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.34717

>  <SCORE.INTRA>
-18.9559

>  <SCORE.INTRA.DIHEDRAL>
-13.5501

>  <SCORE.INTRA.DIHEDRAL.0>
23.3723

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.1808

>  <SCORE.INTRA.VDW.0>
-4.12356

>  <SCORE.INTRA.norm>
-0.357658

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
-0.0104883

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017154

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  193.9695  217.0617  264.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7538  216.8014  263.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0876  217.9037  262.5093 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8218  217.7031  261.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6565  218.2238  260.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3049  218.1553  258.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1170  217.5470  258.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3154  216.9632  259.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6653  216.9879  260.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7577  216.1928  261.7583 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.2527  216.9668  262.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3640  216.4579  264.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8002  215.1704  264.4383 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2723  214.5011  263.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3915  214.9304  262.1661 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8315  213.9658  261.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7434  213.9746  260.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3684  212.7911  262.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1313  211.8593  261.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6382  210.6335  262.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3562  210.3143  263.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9220  209.1774  263.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7118  208.3190  263.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9918  208.6310  261.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4686  209.7896  261.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6479  209.0015  265.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7728  208.6313  266.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8005  209.7488  266.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7471  210.7310  266.8591 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7991  209.5565  265.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8580  212.8720  263.6641 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.0485  217.1524  265.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6060  218.2834  262.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2655  219.1084  263.5038 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3696  218.3865  261.3376 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7387  219.5921  260.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5604  219.5809  259.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4285  210.3097  265.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 14 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 38  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
-177.80101165,-98.30185053,53.09631605,-171.89799235,-0.09883608,-135.34913277
63.53396832,83.17479518,-179.75816409,179.58940107,178.96183929,192.39182487
214.39496897,262.67442395,2.65952618,1.08815819,-1.38214896

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449125/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.2738

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416216

>  <SCORE.INTRA>
-13.1262

>  <SCORE.INTRA.DIHEDRAL>
-19.7944

>  <SCORE.INTRA.DIHEDRAL.0>
29.5146

>  <SCORE.INTRA.POLAR>
0.399149

>  <SCORE.INTRA.POLAR.0>
-0.399149

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.58612

>  <SCORE.INTRA.VDW.0>
0.593985

>  <SCORE.INTRA.norm>
-0.354762

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.0614542

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000480

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  190.8027  209.7101  259.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0271  211.4784  259.3933 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2049  211.9055  260.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4925  211.6203  260.4513 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3425  211.8875  261.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9809  212.4211  262.6374 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6843  212.7159  262.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7530  212.4687  261.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2728  213.1782  264.0712 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4976  214.5793  264.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5904  214.6891  265.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3240  213.8332  266.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2867  212.4625  266.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1772  212.2319  265.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7570  211.5178  261.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2040  210.9414  260.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5476  210.6079  259.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4806  210.8452  260.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0706  211.4118  262.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7249  211.7402  262.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
80.54365773,1.51081324,78.53799884,193.76380460,212.09514819,262.25584462
1.12652566,0.09242152,-1.99379709

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449126/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.29749

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-2.10251

>  <SCORE.INTRA.DIHEDRAL>
-0.126352

>  <SCORE.INTRA.DIHEDRAL.0>
2.50956

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.03934

>  <SCORE.INTRA.VDW.0>
0.574453

>  <SCORE.INTRA.norm>
-0.105126

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.314874

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011878

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 43  0  0  0  0  0  0  0  0999 V2000
  219.1099  194.6108  239.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7447  193.2287  239.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4785  193.2466  240.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5642  194.2304  241.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9867  195.6325  241.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2510  195.6000  240.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2036  194.3549  242.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9407  194.8280  241.9204 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0911  193.8396  241.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4627  192.7733  241.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6529  194.1111  241.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2806  195.3487  241.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7909  195.5231  241.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2450  196.6950  240.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8691  196.7984  240.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9948  195.7518  240.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5011  194.5710  241.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8862  194.4414  241.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3841  193.0809  241.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7209  193.1992  242.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3046  191.8004  242.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4984  191.8086  243.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6870  193.1002  244.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3948  193.7144  245.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3489  193.8243  243.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1738  196.4040  241.5046 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3834  196.1054  241.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4419  197.3782  242.5231 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.4510  198.3821  243.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2581  199.1218  243.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3535  200.1402  242.3777 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8827  198.5276  243.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7546  199.1877  242.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4629  198.6717  242.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2838  197.4946  243.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3892  196.8212  244.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6830  197.3343  243.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7025  196.8649  243.9253 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 27  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
-60.26196421,97.56722105,-134.39625934,-63.43279385,-75.71834784,179.24221409
212.89398431,195.58117973,242.25390191,-0.27608864,0.17434329,0.08827971

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449127/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.67898

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-6.72102

>  <SCORE.INTRA.DIHEDRAL>
-3.23975

>  <SCORE.INTRA.DIHEDRAL.0>
8.02265

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.10115

>  <SCORE.INTRA.VDW.0>
-2.37894

>  <SCORE.INTRA.norm>
-0.176869

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.123131

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000109

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  215.8127  180.9862  254.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3507  180.6403  254.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6081  180.7904  255.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1046  180.4932  255.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4315  181.5292  254.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7612  182.4006  254.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6905  181.2392  253.1351 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2999  182.0493  252.0260 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.7866  182.4110  251.8392 C   0  0  2  0  0  0  0  0  0  0  0  0
  209.9054  183.0463  250.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1600  183.9908  250.6127 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.0115  183.4174  251.8428 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.5203  183.1734  251.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2075  184.1440  250.7087 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.3254  184.9993  249.7761 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.9983  184.2741  249.3372 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.1529  185.0999  248.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1268  185.5839  247.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9861  186.5794  248.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9545  187.8789  247.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3512  188.3639  247.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6975  189.4528  248.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2950  187.3188  247.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1607  186.0412  247.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1852  185.9511  248.7928 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.1692  186.6594  249.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7788  185.9717  250.6612 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.2822  183.5182  250.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0061  184.3838  253.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0803  183.5008  252.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7785  181.0307  250.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4737  181.4310  249.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3942  179.5773  250.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0759  178.8140  251.8453 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9289  182.8065  249.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.9779  179.2604  252.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  1  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  6  0  0  0
 15 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  1  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 28 35  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
177.92611929,-66.18753032,-102.79819035,-175.31259417,-56.28877674,-131.11898295
63.35384279,-71.29717019,52.51563286,212.71099491,183.67978306,250.95716438
-1.80122366,-0.23004106,-0.77435634

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449128/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.51123

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-8.88877

>  <SCORE.INTRA.DIHEDRAL>
-8.59385

>  <SCORE.INTRA.DIHEDRAL.0>
13.6401

>  <SCORE.INTRA.POLAR>
-0.600954

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.5486

>  <SCORE.INTRA.VDW.0>
-0.851752

>  <SCORE.INTRA.norm>
-0.261434

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.103271

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018220

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  207.1255  189.0088  248.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2363  188.6854  249.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4951  188.8741  250.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6489  189.3612  249.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8614  189.5290  250.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9676  189.1929  251.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8162  188.7280  252.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5902  188.5621  251.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5444  188.1125  252.4617 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3317  187.9324  251.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1293  188.2087  250.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8428  187.9966  249.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7818  187.5337  250.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9656  187.2639  252.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8877  186.7989  252.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0475  186.5253  254.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2876  186.7144  254.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3666  187.1758  254.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2415  187.4639  252.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2531  189.3953  252.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0726  188.2316  252.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2771  188.0612  251.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-91.84775092,60.77020915,207.32212874,188.16459320,251.69391180,0.23393351
-0.19725168,-1.28754665

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449129/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.81219

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.304762

>  <SCORE.INTRA>
-0.587808

>  <SCORE.INTRA.DIHEDRAL>
-0.476872

>  <SCORE.INTRA.DIHEDRAL.0>
1.13055

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.349372

>  <SCORE.INTRA.VDW.0>
-0.0472657

>  <SCORE.INTRA.norm>
-0.0279909

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.276771

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001256

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  213.9064  183.8832  252.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9658  184.0724  251.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7680  185.3872  250.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8385  185.5619  249.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6683  186.8673  248.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7367  187.0184  247.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6464  187.8377  247.8947 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6266  186.1519  246.8155 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8955  185.4583  246.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.3207  186.2181  246.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.91562213,179.99363085,-179.87908775,-110.52422242,215.78304591,185.84367939
249.48523157,-2.75581767,-1.07094155,-2.13019125

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449139/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.88281

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-0.517194

>  <SCORE.INTRA.DIHEDRAL>
0.0995154

>  <SCORE.INTRA.DIHEDRAL.0>
1.09602

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.566952

>  <SCORE.INTRA.VDW.0>
-0.0678326

>  <SCORE.INTRA.norm>
-0.0646493

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.11035

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001126

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 33  0  0  0  0  0  0  0  0999 V2000
  206.5118  191.1069  245.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0526  189.9101  244.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5820  188.7015  245.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6282  188.6719  246.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0748  189.8658  246.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4790  191.0916  246.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7534  192.3614  246.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4706  193.1290  247.5626 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6093  192.2950  248.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8440  192.3864  249.8178 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5825  191.3234  248.7836 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8347  190.3480  249.8446 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.3756  189.0285  249.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4932  187.9383  250.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0123  186.6130  249.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9808  186.1155  248.8846 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2408  185.9863  247.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3815  186.2379  246.9672 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2928  185.5256  246.8000 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8153  190.9820  250.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5581  191.1401  252.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0007  191.3601  250.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8356  193.5139  247.1286 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0209  187.5102  244.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2514  191.3415  248.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.2535  186.7374  246.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.9261  185.3934  246.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3958  184.5253  246.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.2934  186.0044  245.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6273  191.7610  250.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.2668  194.0411  247.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7599  194.1785  246.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.5194  187.6897  243.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  6  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <CHROM.1>
-11.28437524,-86.27574222,-59.90899754,-97.56940168,178.52327451,150.30006328
-173.33740941,121.18459598,179.32161213,-66.48701984,116.31199126,-135.22488472
-95.01783662,-179.87912404,206.73338188,189.70103767,247.93250277,1.96011605
-1.21506936,0.70336150

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449140/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59973

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.725

>  <SCORE.INTRA>
-12.8003

>  <SCORE.INTRA.DIHEDRAL>
-3.41765

>  <SCORE.INTRA.DIHEDRAL.0>
8.58643

>  <SCORE.INTRA.POLAR>
-2.00342

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.27983

>  <SCORE.INTRA.VDW.0>
-2.14554

>  <SCORE.INTRA.norm>
-0.533345

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.191655

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018501

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  203.2521  208.5714  253.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2658  208.3255  254.5549 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6194  207.2485  255.4184 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1932  207.4469  255.2954 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9260  208.3172  254.1685 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.8983  207.7207  253.3369 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2426  208.3051  252.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3446  207.5042  251.7514 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4660  206.3268  252.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8044  205.0906  252.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1338  204.1097  253.2267 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1041  204.3581  254.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8090  205.4938  254.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4319  206.4381  253.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8113  204.8339  251.4203 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9739  205.8172  254.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2675  204.8437  255.7579 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4395  209.5335  255.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1650  204.7486  250.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9930  205.4098  251.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3180  204.9741  255.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1057  209.3877  255.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  1  0  0  0
  3  4  1  0  0  0  0
  3 16  1  6  0  0  0
  4  5  1  0  0  0  0
  5  1  1  6  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <CHROM.1>
-178.84919878,-175.24459733,-68.61141802,71.75124910,61.98558993,201.39688810
206.69285990,253.81275262,0.22792342,-0.60790077,-0.38078770

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449141/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.26637

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-5.13363

>  <SCORE.INTRA.DIHEDRAL>
-2.21683

>  <SCORE.INTRA.DIHEDRAL.0>
5.40929

>  <SCORE.INTRA.POLAR>
-1.00054

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.623369

>  <SCORE.INTRA.VDW.0>
-1.11741

>  <SCORE.INTRA.norm>
-0.285202

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.181465

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001701

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  224.8389  183.3935  254.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7562  184.4753  254.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7076  184.1832  255.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3649  185.8570  254.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3088  186.8025  253.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8562  188.0724  254.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4562  188.4275  255.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5415  187.4933  256.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9973  186.2155  256.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9825  189.6838  255.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.8563  190.3876  256.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3865  190.7085  256.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8345  191.5915  256.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6156  189.9142  257.4927 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.8445  188.9420  258.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1417  188.8339  259.5052 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.8067  188.0356  258.5956 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9146  187.6699  257.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2056  188.0050  256.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4408  187.4454  255.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3580  186.5850  255.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0007  186.3981  256.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7549  186.9427  257.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7076  185.8981  254.4765 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5024  185.0925  254.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5972  183.7339  253.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8533  183.8980  252.5480 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1110  184.6582  252.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0773  186.0444  253.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9300  182.5992  251.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6353  190.1428  257.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.7115  187.5817  259.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
113.05431648,143.05848423,-69.76581177,-74.72314918,13.69296569,-174.43938842
222.68515579,187.00170119,255.70229030,-2.26686108,0.18154881,0.78984047

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449143/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24037

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-5.15963

>  <SCORE.INTRA.DIHEDRAL>
-5.10478

>  <SCORE.INTRA.DIHEDRAL.0>
10.2746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.60724

>  <SCORE.INTRA.VDW.0>
0.186574

>  <SCORE.INTRA.norm>
-0.171988

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.208012

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000379

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  220.7613  184.9928  242.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7065  185.3655  243.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3964  186.6744  243.3815 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3048  187.0221  242.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8947  186.0227  241.8958 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.8699  184.6621  243.7098 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.2266  185.1626  243.1589 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.3907  186.6798  243.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2156  187.0951  244.6777 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1829  188.6501  245.0477 P   0  0  0  0  0  0  0  0  0  0  0  0
  225.3034  189.4795  244.5291 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7566  189.1625  244.5484 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0257  188.7141  246.6354 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.3215  184.4812  243.8128 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7900  184.8757  245.1143 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8944  187.2666  244.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.6117  190.0940  244.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.8186  188.3466  247.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.2421  184.6563  244.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.9948  185.8143  245.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  1  0  0  0
  7  8  1  1  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <CHROM.1>
105.94308465,55.87340028,-70.25731952,54.92736143,-58.56516916,-173.17161596
-50.94417089,175.62727199,65.51339096,223.12548478,186.82636307,244.03646965
2.29766906,0.41005677,-2.83129152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449144/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.12955

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.693333

>  <SCORE.INTRA>
-7.27045

>  <SCORE.INTRA.DIHEDRAL>
-3.52326

>  <SCORE.INTRA.DIHEDRAL.0>
5.2119

>  <SCORE.INTRA.POLAR>
-1.33216

>  <SCORE.INTRA.POLAR.0>
-0.435243

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.979466

>  <SCORE.INTRA.VDW.0>
-1.01087

>  <SCORE.INTRA.norm>
-0.484697

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.208636

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002169

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  193.6589  216.7829  250.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1532  216.6123  250.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8402  217.8327  250.2224 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2034  217.7642  250.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8025  216.7775  250.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8061  219.0496  250.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2710  220.2713  249.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2814  221.3394  249.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5363  220.7702  249.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5051  219.1097  250.1207 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.7401  221.3745  249.8375 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7277  222.6999  249.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5588  223.3847  249.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2901  222.7539  249.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1236  223.6562  249.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8453  223.2368  249.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6668  223.8596  249.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7367  224.9788  248.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9816  225.4740  248.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1592  224.8063  248.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0260  223.3984  249.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1223  224.7968  249.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3505  225.4579  249.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5104  224.7345  249.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4461  223.3522  250.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2173  222.6927  250.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9208  220.5186  249.3027 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3157  220.2031  247.7490 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.6652  218.8543  247.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9424  220.6566  247.7454 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2698  221.3367  246.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6398  221.1123  246.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4009  222.0371  245.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7794  223.1738  245.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4000  223.3791  245.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6411  222.4511  246.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5821  224.1693  244.6169 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.7934  223.9464  244.4852 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0019  225.1786  244.1922 O   0  5  0  0  0  0  0  0  0  0  0  0
  195.2052  220.2832  249.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 40  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
M  CHG  2  37   1  39  -1
M  END
>  <CHROM.1>
-179.08922125,-3.78718565,-0.30340045,-84.33085769,-178.81618499,18.92631834
51.11720003,69.56844998,197.98248726,221.67940763,248.53843603,-2.50342577
-0.38069462,-0.59739637

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449145/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.08385

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.34359

>  <SCORE.INTRA>
-6.31615

>  <SCORE.INTRA.DIHEDRAL>
-7.67486

>  <SCORE.INTRA.DIHEDRAL.0>
11.0398

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.47873

>  <SCORE.INTRA.VDW.0>
-5.38582

>  <SCORE.INTRA.norm>
-0.161953

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.181637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000087

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  186.7584  212.0812  261.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7227  212.8894  261.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7053  213.5046  260.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7252  213.3189  259.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7710  212.4841  258.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7893  211.8686  259.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6281  214.1184  258.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7582  214.7691  259.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3227  214.7233  260.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4291  215.9435  261.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8985  215.9803  262.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2938  214.8020  263.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2019  213.5676  262.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6167  212.3933  263.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4943  211.1509  262.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9397  211.0658  261.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5409  212.2272  260.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6824  213.5060  261.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4309  215.5202  257.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9652  215.6374  256.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6157  216.0755  258.2478 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0589  216.5741  257.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
21.69839816,-118.94222107,5.23890244,-179.44560355,190.56347411,213.74220247
260.39552072,-2.88030179,-0.45269651,-0.92497657

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449146/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.30632

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-7.09368

>  <SCORE.INTRA.DIHEDRAL>
-14.3578

>  <SCORE.INTRA.DIHEDRAL.0>
25.3168

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0852197

>  <SCORE.INTRA.VDW.0>
-2.20545

>  <SCORE.INTRA.norm>
-0.337794

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.0622059

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  188.5413  224.9877  255.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2546  225.1630  253.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2863  226.3354  253.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6200  227.5808  253.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6467  228.0056  254.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9339  228.3170  252.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2403  229.4911  252.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5551  230.1838  251.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5415  229.6881  250.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2347  228.5185  250.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9752  227.8290  251.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8709  226.7560  250.7946 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8452  226.3640  251.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0192  226.0922  251.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9180  226.2657  249.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1259  225.8892  248.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1343  225.3373  247.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9342  225.1133  246.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7229  225.4611  247.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7152  226.0527  248.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8400  223.9849  253.2959 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5959  223.4179  252.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6990  222.9686  251.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5463  222.5322  249.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2849  222.5374  249.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1585  222.9524  250.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3350  223.3876  251.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7898  222.9794  249.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8253  223.4184  250.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7029  222.5781  248.2304 O   0  5  0  0  0  0  0  0  0  0  0  0
  189.8431  223.2372  253.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  1  30  -1
M  END
>  <CHROM.1>
125.18245228,141.45514356,134.67780811,-177.24186721,188.55284866,225.64109676
250.92716409,-1.81374848,1.16340565,-2.26811957

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449147/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.37871

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-4.02129

>  <SCORE.INTRA.DIHEDRAL>
-6.87997

>  <SCORE.INTRA.DIHEDRAL.0>
12.1799

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.5813

>  <SCORE.INTRA.VDW.0>
-3.27959

>  <SCORE.INTRA.norm>
-0.134043

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.17929

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000437

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 60 62  0  0  0  0  0  0  0  0999 V2000
  206.2712  193.6496  252.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5123  193.7548  251.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4592  192.5778  250.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4191  195.0722  250.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6014  196.1960  251.4466 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6930  197.7158  250.6250 P   0  0  1  0  0  0  0  0  0  0  0  0
  206.9097  198.3774  251.7726 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2465  197.8648  251.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7844  199.2356  249.8035 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3404  198.9738  248.2958 P   0  0  1  0  0  0  0  0  0  0  0  0
  208.2365  200.1678  247.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8508  198.4869  248.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7480  197.5667  247.7548 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2909  197.5382  246.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3264  197.8519  245.2866 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.7402  197.2209  245.2046 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.1471  197.6043  243.7774 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.7931  197.4641  243.0413 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.7308  197.7204  243.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5802  198.2818  241.8707 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4666  197.8193  240.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2772  198.7976  239.7234 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2514  199.9440  240.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0980  201.3025  240.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0802  202.2113  241.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2483  201.7693  242.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4300  200.5004  242.8665 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4089  199.6393  241.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9415  201.7658  238.8720 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7813  198.8823  243.7940 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8308  195.8150  245.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4814  194.9537  246.4917 P   0  0  0  0  0  0  0  0  0  0  0  0
  209.8621  195.5469  247.8034 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9349  194.6608  246.2916 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1364  193.5210  246.2596 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8113  193.6999  252.2512 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0669  194.0561  251.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4595  195.2143  251.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6543  192.9846  250.7914 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8294  193.1067  249.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8451  192.0877  248.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9653  192.3678  247.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7890  192.9838  246.7724 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1707  191.8370  248.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3485  191.9855  247.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6662  190.7425  246.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3002  190.3712  245.3689 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.4089  191.7882  244.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5844  192.0495  243.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7359  194.5678  253.3808 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5709  196.9728  251.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.0559  197.6409  248.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.7283  201.5609  238.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0135  201.5972  238.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1053  199.5874  243.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6050  194.1154  247.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1075  193.5731  246.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4425  192.0470  251.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2892  191.4571  249.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5032  195.4519  253.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  1  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 51  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  6  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  6  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
 36 37  1  6  0  0  0
 36 50  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 58  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 59  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 50 60  1  0  0  0  0
M  END
>  <CHROM.1>
69.40939867,-169.66162122,173.47058987,142.66843419,19.98210769,-126.54773398
169.73965950,129.31717469,137.81944136,60.60027035,47.66579208,-68.99530615
-78.22935650,112.82369316,-61.44277770,-36.41600495,179.50950986,65.45627280
88.47405100,-53.41041666,-148.00690077,171.23820101,-97.69029793,-100.63321277
61.88063632,65.71935525,-172.50260105,209.63685117,196.12392159,246.84975015
1.21603873,-0.86582373,1.99308202

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449148/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.23855

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528

>  <SCORE.INTRA>
-17.1615

>  <SCORE.INTRA.DIHEDRAL>
-6.02493

>  <SCORE.INTRA.DIHEDRAL.0>
29.0643

>  <SCORE.INTRA.POLAR>
-2.09296

>  <SCORE.INTRA.POLAR.0>
-2.53727

>  <SCORE.INTRA.REPUL>
0.0165065

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.11546

>  <SCORE.INTRA.VDW.0>
-5.93512

>  <SCORE.INTRA.norm>
-0.343229

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
50

>  <SCORE.norm>
0.184771

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.106006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  201.6289  184.4892  245.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7398  185.5386  245.7277 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2108  186.9600  245.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1843  187.8321  244.8707 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7560  189.0203  245.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4508  188.8859  246.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7177  187.5582  247.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4958  186.9829  248.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9876  189.9608  247.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8365  191.2006  246.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1156  191.3907  245.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5954  190.2697  244.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9159  192.6112  244.8462 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2617  192.8457  243.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0719  192.7044  242.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2654  191.1183  242.6172 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.4782  193.7912  245.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9725  194.0661  245.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9939  192.6752  246.0610 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.7829  185.3009  246.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6406  184.5620  247.8131 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9138  186.0311  246.6458 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5128  185.4090  244.4404 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5077  185.8388  247.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4490  185.7842  244.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0937  186.0248  243.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-105.70803511,-15.52762708,-155.70453324,177.09502531,97.31695885,-99.42907756
-55.63430816,58.04253939,178.37563444,201.19373587,189.45089062,245.52230264
-0.34707407,1.07485502,-1.43888896

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449149/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3365

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-3.06354

>  <SCORE.INTRA.DIHEDRAL>
-3.14112

>  <SCORE.INTRA.DIHEDRAL.0>
9.78412

>  <SCORE.INTRA.POLAR>
0.0305609

>  <SCORE.INTRA.POLAR.0>
-0.416614

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.59689

>  <SCORE.INTRA.VDW.0>
-0.468906

>  <SCORE.INTRA.norm>
-0.133197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.449411

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002185

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  204.8952  206.4210  246.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8754  205.9239  247.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4194  204.4974  248.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0401  202.7329  248.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3063  202.9254  247.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5122  201.7532  246.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5505  201.3659  246.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5696  201.1451  247.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3955  200.3358  248.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3347  200.9827  249.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5865  199.4181  249.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1729  197.9623  249.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5709  196.5752  249.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6612  196.5487  250.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3134  197.5883  251.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2707  199.0671  251.0802 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0069  197.1365  252.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4362  197.2991  252.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2971  197.8153  248.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9073  198.9933  247.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9642  198.9457  246.4018 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.0355  197.6213  245.6671 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.8467  196.5278  246.6990 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.9041  196.5768  247.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7861  195.1774  245.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3577  197.4733  244.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2743  199.8954  245.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5430  199.8083  244.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  6  0  0  0
 22 23  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
60.17338866,-41.88683292,-174.42890083,204.74730850,199.57007345,248.17425558
-1.59194748,1.07525257,2.86588258

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449150/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.25165

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.274074

>  <SCORE.INTRA>
-4.14835

>  <SCORE.INTRA.DIHEDRAL>
-5.57175

>  <SCORE.INTRA.DIHEDRAL.0>
6.35511

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.36247

>  <SCORE.INTRA.VDW.0>
1.11688

>  <SCORE.INTRA.norm>
-0.153642

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.120432

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000078

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  201.7122  219.8625  260.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8204  219.3380  261.7115 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1295  218.4690  261.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4156  219.2946  261.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3541  220.2604  263.0979 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1982  221.2462  262.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8989  220.4449  262.7757 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.6339  221.2751  262.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6794  220.4345  263.7087 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4601  219.0382  263.0522 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5753  218.4336  262.0984 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0290  217.6339  260.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8704  216.7171  261.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6846  217.4798  261.8485 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.0052  218.8558  262.5588 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0086  218.9179  263.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0369  217.7643  263.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9265  216.6617  262.9589 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.7104  215.9312  264.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5455  214.6474  264.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5119  214.3105  265.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5766  213.2498  266.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3276  215.3692  265.6394 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7380  216.4786  264.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7294  219.9400  261.6666 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7367  217.7335  260.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2801  220.2935  265.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2505  219.5335  264.3327 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3507  219.9093  260.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7108  219.7686  265.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2350  220.1588  265.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  1  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
178.52727809,179.51025537,60.29768440,-129.12313940,199.84883174,218.22366033
263.06734014,0.66667563,-0.28126482,-0.68504129

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449152/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.89384

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.228571

>  <SCORE.INTRA>
-2.50616

>  <SCORE.INTRA.DIHEDRAL>
-3.49758

>  <SCORE.INTRA.DIHEDRAL.0>
3.71096

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.757376

>  <SCORE.INTRA.VDW.0>
-1.1948

>  <SCORE.INTRA.norm>
-0.0895059

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.139066

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000694

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  200.6098  217.9345  254.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4383  218.1441  253.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2099  217.7556  254.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1433  217.1483  255.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3283  216.9530  256.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5547  217.3395  255.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8088  216.7699  255.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9686  217.9477  256.5743 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6915  218.7565  257.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3196  218.5932  259.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9635  219.3026  260.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9851  220.1873  259.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3607  220.3804  258.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7065  219.6819  257.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6461  220.8980  260.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4930  218.8816  255.5282 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2831  219.6047  255.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5052  220.6495  256.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3708  221.7354  256.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5967  222.6391  257.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9731  222.4613  259.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1170  221.3800  259.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8882  220.4793  258.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2744  220.6656  261.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3178  218.3649  254.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-76.16452206,-57.13922799,-105.53450549,154.79425412,-0.03037682,71.27019591
60.17451453,196.95793921,219.38385481,257.16259406,-0.91522152,-0.34307916
1.05885250

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449153/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.6846

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-3.7154

>  <SCORE.INTRA.DIHEDRAL>
1.11366

>  <SCORE.INTRA.DIHEDRAL.0>
2.38197

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.27223

>  <SCORE.INTRA.VDW.0>
-1.0938

>  <SCORE.INTRA.norm>
-0.161539

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.334113

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003482

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  205.2859  204.0615  247.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2026  203.4028  246.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7689  202.6555  245.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3922  202.5702  245.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4632  203.2380  246.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9176  203.9860  247.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8401  204.8355  248.2097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.7572  203.1422  245.7219 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.8368  201.6405  243.8597 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.9488  201.8559  244.5110 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.5357  203.5085  246.9004 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7945  204.7748  248.4733 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5939  204.0823  247.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0735  204.8945  249.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-159.40515725,-0.72287238,204.51848052,203.17701023,246.08842780,-2.26885343
0.06701715,-2.18987362

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449155/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.27251

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-0.127486

>  <SCORE.INTRA.DIHEDRAL>
0.595373

>  <SCORE.INTRA.DIHEDRAL.0>
6.91234e-06

>  <SCORE.INTRA.POLAR>
0.000130794

>  <SCORE.INTRA.POLAR.0>
-0.331652

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.425617

>  <SCORE.INTRA.VDW.0>
1.26329

>  <SCORE.INTRA.norm>
-0.0106238

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.439376

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011176

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  208.6766  222.9387  243.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5075  223.7880  244.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4811  223.3361  245.9959 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.0852  224.0813  246.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.7183  222.1429  246.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8650  220.9636  246.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1425  220.7645  244.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0670  221.6383  243.8934 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3295  219.4450  244.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7783  219.1435  246.1101 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.3293  219.5348  244.0029 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.1237  218.4109  244.5456 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.8649  221.8661  247.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8030  222.7623  247.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7580  222.1474  248.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5242  220.7950  248.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1617  220.2836  247.9027 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.2901  219.8644  249.5715 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.2421  220.3334  250.2023 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9349  218.6777  249.5651 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.6361  221.2277  243.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  3   3   1  18   1  20  -1
M  END
>  <CHROM.1>
1.55892330,39.30470254,209.94174078,220.82848837,246.61999107,-2.94115044
0.68373780,2.84726524

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449163/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.21756

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-1.18244

>  <SCORE.INTRA.DIHEDRAL>
-3.05579

>  <SCORE.INTRA.DIHEDRAL.0>
3.80632

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.34546

>  <SCORE.INTRA.VDW.0>
-0.862656

>  <SCORE.INTRA.norm>
-0.0622335

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.32724

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002219

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  199.9213  208.8554  247.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9085  207.8967  247.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0456  208.7674  248.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1630  207.1876  248.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3273  206.1444  248.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4687  206.8739  246.7089 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3573  205.7557  247.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5829  205.7729  247.3194 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6363  204.7007  247.8218 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2984  203.5502  248.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4498  202.4097  247.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2598  202.8633  246.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8113  203.0310  245.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5741  203.0172  246.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4227  206.2415  245.9583 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7781  205.8390  249.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6355  204.8309  247.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1174  203.2922  245.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7689  205.9345  246.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  1  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <CHROM.1>
77.28576568,-173.82550204,-170.75650718,-98.04213577,-49.16933886,-96.06334077
59.59295256,-110.26115954,178.72414378,201.80033389,205.52106262,247.26185921
-2.14434923,-0.40190016,-3.13719082

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449164/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.04471

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-5.35529

>  <SCORE.INTRA.DIHEDRAL>
0.458474

>  <SCORE.INTRA.DIHEDRAL.0>
5.75619

>  <SCORE.INTRA.POLAR>
-0.902973

>  <SCORE.INTRA.POLAR.0>
-0.642715

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.51442

>  <SCORE.INTRA.VDW.0>
0.83923

>  <SCORE.INTRA.norm>
-0.35702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.40298

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 33  0  0  0  0  0  0  0  0999 V2000
  202.8234  219.5518  258.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5247  218.3413  257.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7049  218.4981  256.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3827  217.2723  255.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6900  217.5007  254.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3162  216.2579  253.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6451  216.4993  252.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1533  215.2210  251.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5760  215.4835  250.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3661  215.8386  249.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7441  215.9736  247.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6722  217.1710  247.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9844  218.4073  248.0065 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0418  218.9434  249.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8510  219.3797  249.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8169  219.8413  251.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9714  219.8641  251.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1678  219.4467  251.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1961  218.9735  250.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8555  220.3017  253.3337 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8152  219.9364  254.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6367  220.2363  255.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3339  219.4749  256.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1333  219.6651  257.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2181  220.6186  258.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5101  221.3839  257.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7237  221.1901  255.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0823  220.7564  259.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3415  221.5725  260.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8812  219.9526  260.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9327  219.1077  247.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8158  220.0204  261.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <CHROM.1>
-178.82028518,-174.03520289,-177.71159506,-178.95870800,-174.86093505,-175.99113422
-66.92834629,-174.50978930,-66.15307123,-64.05295990,91.86101437,-133.59318887
160.86103211,156.09489486,178.27136499,179.93774521,205.71761420,218.75548668
253.93533224,1.71061871,1.16880719,1.14364546

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449165/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.3124

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.68

>  <SCORE.INTRA>
-6.0876

>  <SCORE.INTRA.DIHEDRAL>
-2.26095

>  <SCORE.INTRA.DIHEDRAL.0>
7.0233

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.95712

>  <SCORE.INTRA.VDW.0>
-0.633263

>  <SCORE.INTRA.norm>
-0.20292

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.47708

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000740

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 29  0  0  0  0  0  0  0  0999 V2000
  196.1923  175.1047  249.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1121  176.2100  250.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3427  176.3054  249.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2674  177.4107  250.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4907  177.4975  249.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4117  178.6032  249.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6334  178.6894  248.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5511  179.7959  249.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7764  179.8793  248.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6986  180.9791  248.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9240  181.0577  247.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8460  182.1573  248.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0715  182.2369  247.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0156  183.3050  248.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2493  183.3746  247.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1934  184.4453  247.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4303  184.5149  246.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3799  185.5847  247.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6138  185.6474  246.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5802  186.7099  246.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8148  186.7598  245.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7435  187.7774  246.4841 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0859  188.7289  245.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9811  189.8339  246.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3346  190.8073  245.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8866  190.9079  243.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0409  190.8349  242.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4854  190.9334  241.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4952  189.8063  247.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5800  190.5369  248.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.91248393,-179.94414348,179.90176682,179.99614948,179.98068684,179.69739875
-179.57458644,179.89768433,179.95386670,-179.98975685,-178.09021733,179.36041563
179.88659178,179.87222050,-179.91203019,-179.98043529,179.90179079,179.76487179
-179.46893330,-121.99260874,178.92227810,-90.37430837,-118.59007790,179.50547821
210.72963795,183.83599088,247.38344249,2.89928569,0.52998591,1.69323805

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449166/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
26.7566

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.98

>  <SCORE.INTRA>
-2.64339

>  <SCORE.INTRA.DIHEDRAL>
-3.86689

>  <SCORE.INTRA.DIHEDRAL.0>
5.17529

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.70994

>  <SCORE.INTRA.VDW.0>
-2.85959

>  <SCORE.INTRA.norm>
-0.0881129

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.891887

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002171

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  218.6471  195.2539  244.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0137  194.2911  245.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9628  194.9095  246.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3140  193.9694  247.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2378  194.6434  249.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5080  193.7672  250.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0590  193.5276  249.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3701  194.7468  249.5347 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0847  194.6073  249.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4167  193.5837  249.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5076  195.9610  248.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5228  196.2948  247.1677 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.4617  195.3673  246.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3598  195.5114  244.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1341  197.7749  246.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7807  198.1649  247.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
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  215.0320  196.7912  247.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8630  197.6698  246.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8194  198.0480  245.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8803  198.4555  247.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1300  198.0223  248.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1103  198.0055  249.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3826  197.6629  251.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
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  218.6969  197.3035  250.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4252  197.6462  249.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8916  197.5788  248.1008 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
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M  CHG  1  12   1
M  END
>  <CHROM.1>
179.26820750,-178.01496292,176.12065819,-62.90927763,-50.16306995,177.80861905
11.11725018,97.93768468,70.69626076,-178.20163086,-56.85925215,-57.98445161
-119.57755904,12.44470952,-60.27934417,216.05812072,196.33832414,248.05320277
-0.08998905,-0.21262706,-1.34069168

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449167/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.9007

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.728571

>  <SCORE.INTRA>
-8.49926

>  <SCORE.INTRA.DIHEDRAL>
-8.6617

>  <SCORE.INTRA.DIHEDRAL.0>
12.574

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.16841

>  <SCORE.INTRA.VDW.0>
1.71845

>  <SCORE.INTRA.norm>
-0.303545

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.425027

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018692

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  203.7045  216.5080  249.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6271  216.4034  248.9619 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8771  217.6097  249.8839 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9834  218.6619  248.9520 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0615  217.5633  250.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.4585  219.4415  249.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0437  219.0218  248.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <CHROM.1>
-105.64168000,203.52956428,217.34855711,249.37816322,0.71655464,-0.66836572
2.54824531

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449168/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.84287

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-0.557129

>  <SCORE.INTRA.DIHEDRAL>
-0.0442595

>  <SCORE.INTRA.DIHEDRAL.0>
0.354863

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.534999

>  <SCORE.INTRA.VDW.0>
0.335718

>  <SCORE.INTRA.norm>
-0.139282

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.46072

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013848

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  8  0  0  0  0  0  0  0  0999 V2000
  197.1507  217.7645  258.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2310  217.9638  260.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1576  218.1347  260.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0963  218.4101  261.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2928  217.3125  263.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3812  217.6061  262.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2326  219.8443  262.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7006  220.4343  263.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
108.51804245,102.86457531,199.52211952,218.42911675,261.60265311,2.48776347
0.70073515,-2.60054930

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449169/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30328

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-0.0967236

>  <SCORE.INTRA.DIHEDRAL>
-0.525854

>  <SCORE.INTRA.DIHEDRAL.0>
1.39234

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.166203

>  <SCORE.INTRA.VDW.0>
-0.613795

>  <SCORE.INTRA.norm>
-0.0120904

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.91291

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005352

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  205.5188  215.6008  254.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3389  215.0231  253.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9835  214.5866  253.1356 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6919  214.0452  251.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7891  212.9598  251.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5277  212.3777  250.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1317  212.8555  249.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9943  213.9420  249.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2661  214.5287  250.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7801  212.1948  248.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2708  212.6284  247.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8389  211.1819  248.1993 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0155  210.0781  249.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0150  209.8313  250.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0870  208.7151  250.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1615  207.8141  250.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1919  208.1188  249.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1454  209.2485  249.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3632  209.5279  248.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2302  206.5515  251.6568 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.1884  205.5356  251.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9466  204.7547  250.7245 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5031  206.8347  253.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5966  206.4556  254.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8463  206.7644  255.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0048  207.4539  255.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9146  207.8413  254.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6620  207.5383  253.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3114  207.8311  257.4888 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.7804  208.4992  251.9739 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.1879  212.4990  252.9829 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3451  211.0844  253.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6558  210.6261  254.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3178  211.0132  247.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  6  0  0  0
 20 23  1  0  0  0  0
 21 22  3  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <CHROM.1>
179.69463805,143.06220562,-126.31760026,177.84599872,-55.20942095,123.22422985
161.61819190,119.71287992,-179.31801334,202.78513691,210.07374629,252.00680394
-1.00909212,1.30415130,2.03716877

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449178/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.72863

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-4.67137

>  <SCORE.INTRA.DIHEDRAL>
0.734276

>  <SCORE.INTRA.DIHEDRAL.0>
6.50471

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.03851

>  <SCORE.INTRA.VDW.0>
1.16438

>  <SCORE.INTRA.norm>
-0.141557

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.294807

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000174

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  214.0523  193.2923  239.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3422  194.1179  239.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2748  193.9741  240.9039 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.8123  192.5384  241.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2920  191.6629  241.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.9091  192.3049  240.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4085  194.9080  240.7514 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0540  193.7463  240.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5621  193.6042  242.2964 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5854  194.2591  243.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9021  193.6311  244.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5693  195.6097  243.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6996  192.1694  242.6192 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2597  191.3947  240.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1229  194.4437  240.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.8630  195.0374  241.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.9635  196.0445  243.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9530  192.0945  243.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5117  191.7898  242.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <CHROM.1>
68.14300756,-64.69013261,64.93843655,-93.54372073,-85.36149341,-179.42367068
172.10352116,110.89515407,-174.68882564,-179.22364838,214.75734752,193.51330132
241.60435442,0.01607283,0.55994592,-0.42544842

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449179/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.6713

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03077

>  <SCORE.INTRA>
-5.7287

>  <SCORE.INTRA.DIHEDRAL>
-1.14714

>  <SCORE.INTRA.DIHEDRAL.0>
5.01254

>  <SCORE.INTRA.POLAR>
-1.22408

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.993267

>  <SCORE.INTRA.VDW.0>
-0.970253

>  <SCORE.INTRA.norm>
-0.440669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.5901

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.069753

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  214.3795  186.4592  242.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0750  186.8561  244.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9746  186.2577  244.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2734  185.4293  244.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7296  186.7177  246.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5525  187.5985  246.7547 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3809  187.9796  248.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3783  187.4581  248.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4732  186.5654  248.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5838  186.1475  247.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7584  185.4000  246.5535 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3394  188.9280  248.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3076  189.4113  249.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2417  190.3502  250.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2266  190.8247  249.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2846  190.3567  248.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3562  189.4118  247.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
1.58429440,1.29352155,-179.52966231,213.57651324,187.70260016,247.09362034
-2.11871970,0.62073358,1.16034727

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449180/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.82257

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-3.57743

>  <SCORE.INTRA.DIHEDRAL>
-9.12143

>  <SCORE.INTRA.DIHEDRAL.0>
9.1426

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.0446167

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.7602

>  <SCORE.INTRA.VDW.0>
0.977165

>  <SCORE.INTRA.norm>
-0.210437

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.28368

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004919

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 38  0  0  0  0  0  0  0  0999 V2000
  201.7780  220.7200  254.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7704  221.6983  253.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6293  221.4794  252.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3821  221.7507  254.6301 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.6171  220.3684  254.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4644  220.4316  255.5688 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6274  219.2426  255.7981 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3208  218.0182  256.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9568  218.1333  257.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2667  217.6184  258.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7374  217.8329  260.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9328  218.5153  260.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6790  218.9566  259.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1757  218.7730  258.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3881  219.7219  256.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3555  220.8037  257.2169 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2938  218.8892  256.6394 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1205  219.1953  257.4622 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8888  219.3949  256.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9641  220.5821  255.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2509  222.1820  256.4389 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.3440  223.2544  254.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9136  218.0285  258.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5002  216.9586  258.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9996  218.2659  259.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4878  222.3119  256.0046 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4687  223.3251  256.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0055  223.3547  257.8176 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.8933  224.3949  258.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3453  224.0917  257.1539 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.6083  222.0014  258.2607 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8678  221.2215  255.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3231  217.9727  256.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5964  219.1595  259.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4036  222.7584  256.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1706  222.8227  257.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4179  221.3821  258.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9278  221.6240  257.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  1  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  6  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <CHROM.1>
-58.68805792,169.85846030,133.67657567,-178.34982101,61.95455825,59.75445735
-15.63978959,102.11261546,118.14796919,-63.69191621,-11.69507547,-57.20952308
177.56156691,-1.29973912,146.95071729,-177.40824323,62.06292948,60.72728405
53.21839954,196.32373001,220.58107624,256.87833917,-0.27832107,-0.11487796
2.60079993

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449181/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.5446

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.754839

>  <SCORE.INTRA>
-10.8554

>  <SCORE.INTRA.DIHEDRAL>
1.83748

>  <SCORE.INTRA.DIHEDRAL.0>
6.81174

>  <SCORE.INTRA.POLAR>
-2.1914

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.32343

>  <SCORE.INTRA.VDW.0>
-4.24557

>  <SCORE.INTRA.norm>
-0.350176

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.404663

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.047858

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  211.7141  213.1473  243.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7883  213.7869  244.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5438  213.1934  244.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2114  211.9505  244.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1949  211.2936  243.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4361  211.8899  243.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8683  211.2729  244.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8864  209.8112  244.6994 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6968  209.2225  245.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8894  207.9264  245.6368 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.5175  207.3816  246.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1743  208.2249  247.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1537  208.0046  249.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6315  206.7951  249.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2671  205.7996  248.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2043  206.0985  247.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1899  206.5371  251.5041 I   0  0  0  0  0  0  0  0  0  0  0  0
  210.4953  209.5132  247.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6540  209.8980  246.9856 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3575  210.0801  246.5266 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7565  210.9219  247.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7459  210.4865  248.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4660  211.2398  249.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1808  212.3940  249.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1625  212.7728  248.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4421  212.0685  247.8227 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-149.02050141,60.95366990,-173.00472597,44.21924775,209.38139416,209.19700769
248.00980902,-1.16466644,-1.36620938,2.69165782

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449182/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.71743

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-2.68257

>  <SCORE.INTRA.DIHEDRAL>
-1.02513

>  <SCORE.INTRA.DIHEDRAL.0>
2.51938

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.17001

>  <SCORE.INTRA.VDW.0>
-0.441602

>  <SCORE.INTRA.norm>
-0.103176

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.258363

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002566

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  194.1542  222.1077  264.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6645  220.9177  265.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9013  220.3835  264.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5740  221.0950  263.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0688  222.2650  263.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8502  222.8171  263.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9933  222.6575  262.1585 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0143  221.7912  262.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7819  220.8688  263.0386 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.4063  220.0912  263.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1713  221.8244  261.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8372  221.2773  259.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7850  219.8910  259.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4056  219.3853  258.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0597  220.2536  257.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1158  221.6283  257.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5043  222.1347  258.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5352  223.8549  258.8826 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.1585  218.7451  260.7702 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.9088  223.4863  261.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <CHROM.1>
-79.72434083,-79.03154438,197.60369370,221.32967268,261.08796718,2.71282820
-0.98954070,2.57858589

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449183/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.31347

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.0865313

>  <SCORE.INTRA.DIHEDRAL>
-0.0734751

>  <SCORE.INTRA.DIHEDRAL.0>
2.14803

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0497937

>  <SCORE.INTRA.VDW.0>
-1.92222

>  <SCORE.INTRA.norm>
-0.00480729

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.406304

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  218.2371  187.5236  244.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4132  188.2437  245.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8690  188.6160  246.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1820  188.2982  247.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0553  187.6428  246.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5426  187.2373  245.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2968  186.3339  244.2997 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.7851  185.2226  244.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3467  186.7571  243.7976 O   0  5  0  0  0  0  0  0  0  0  0  0
  221.3542  187.3426  246.6741 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5617  188.5830  248.6702 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.7068  189.0941  249.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6883  188.2382  249.0478 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.0478  188.5828  245.1855 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.6867  188.2133  244.0627 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3496  189.2241  245.9798 O   0  5  0  0  0  0  0  0  0  0  0  0
  221.6322  187.6493  247.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  6   7   1   9  -1  11   1  13  -1  14   1  16  -1
M  END
>  <CHROM.1>
-1.03754818,218.84144922,187.81225005,246.09055777,-3.00371959,-0.34680910
1.15094248

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449184/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.68188

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3375

>  <SCORE.INTRA>
-0.718122

>  <SCORE.INTRA.DIHEDRAL>
-1.52673

>  <SCORE.INTRA.DIHEDRAL.0>
1.52809

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0452413

>  <SCORE.INTRA.VDW.0>
-0.11052

>  <SCORE.INTRA.norm>
-0.0448826

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.292617

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003770

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  223.5711  189.5123  237.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9560  188.2807  237.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7585  187.6498  236.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1779  187.0519  237.6663 Sn  0  0  0  0  0  0  0  0  0  0  0  0
  221.8780  185.9723  238.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.0818  188.5341  238.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2477  189.3746  237.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1136  190.0827  236.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7773  186.0205  236.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6127  185.5175  237.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0998  184.5557  238.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-58.41521578,-55.70425516,67.40936637,178.89689923,-59.45866766,-60.34242648
220.98711402,187.40112077,237.53644440,-0.75487440,-0.10928114,-3.13345693

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449185/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3915

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-1.00853

>  <SCORE.INTRA.DIHEDRAL>
-0.406873

>  <SCORE.INTRA.DIHEDRAL.0>
0.722963

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.805096

>  <SCORE.INTRA.VDW.0>
-1.52253

>  <SCORE.INTRA.norm>
-0.100853

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.03915

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066308

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  204.2608  200.3508  250.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0159  201.5696  249.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8546  201.3544  248.3393 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5948  202.4873  247.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3514  202.2500  246.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5245  201.1020  245.7989 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4536  200.8372  245.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4074  201.4641  244.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7323  199.6368  244.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7991  199.1851  243.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
179.99779145,-179.98876865,-60.22994711,-179.96807391,-0.68204374,179.33378849
201.72357235,201.04294639,246.55567256,-0.49715883,0.83128625,-2.71330911

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449194/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1952

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-1.20484

>  <SCORE.INTRA.DIHEDRAL>
-1.88822

>  <SCORE.INTRA.DIHEDRAL.0>
1.89342

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.260734

>  <SCORE.INTRA.VDW.0>
0.819148

>  <SCORE.INTRA.norm>
-0.120484

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.01952

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034267

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  190.4478  216.9273  253.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7098  218.3068  254.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8189  219.2185  254.6968 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.4934  218.9785  254.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5745  218.6748  255.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0406  219.5847  256.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2211  217.2043  255.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2901  216.3454  256.0249 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9567  216.5832  257.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5035  217.2139  258.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3909  217.4307  259.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7127  217.0060  259.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1475  216.3229  258.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2625  216.1057  257.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9374  217.3681  260.6802 Br  0  0  0  0  0  0  0  0  0  0  0  0
  192.1311  218.6120  254.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2531  218.8714  256.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1462  218.3968  256.9820 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2823  219.6862  256.7972 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2324  219.9188  258.2266 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4010  220.7974  258.6913 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.2480  222.2242  258.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9127  222.8285  258.6036 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.8978  222.8686  260.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0351  221.4453  260.7118 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3665  220.8366  260.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8618  220.5866  260.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8823  220.5284  258.6632 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.7436  221.9583  258.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0716  219.5512  253.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.5180  219.9918  256.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 31  1  0  0  0  0
 20 19  1  6  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  1  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 29  1  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-117.34564301,103.17069422,84.19909566,60.20649679,61.07492495,26.44571647
135.55179581,71.00335863,190.55651243,218.83117690,257.91829585,-2.87418204
-1.08722396,-0.11344113

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449195/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.03335

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-14.4334

>  <SCORE.INTRA.DIHEDRAL>
-4.40315

>  <SCORE.INTRA.DIHEDRAL.0>
11.8596

>  <SCORE.INTRA.POLAR>
-0.595434

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.2073

>  <SCORE.INTRA.VDW.0>
1.52163

>  <SCORE.INTRA.norm>
-0.497702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
-0.0356329

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  208.1404  208.5487  255.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4997  208.3942  254.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5677  208.4798  255.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8490  208.3624  255.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8485  209.2749  255.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1574  209.1288  255.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4492  208.1418  254.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4654  207.2665  253.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1754  207.3768  254.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7750  206.2456  252.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8543  205.6430  251.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2691  204.6299  250.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3738  204.2106  250.6982 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1210  204.2038  250.3489 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8528  203.3113  249.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6583  202.4925  248.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0023  201.6922  247.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6114  201.7145  247.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8241  202.5455  248.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4581  203.3613  249.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9052  204.2604  250.1306 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9438  204.7372  250.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1258  205.9009  252.0097 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.5405  210.0523  255.5988 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.4301  210.1972  256.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9049  211.5510  256.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5265  212.2747  255.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0978  211.6258  254.0744 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7761  212.2292  252.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9737  213.6006  252.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6371  214.1879  251.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1356  213.4046  250.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9661  212.0344  250.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2667  211.4322  251.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0455  209.9507  251.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
-179.35089541,135.03089989,-141.51378213,-159.26687941,61.38765383,-61.36374793
179.32535623,52.35019163,212.26771509,207.86196513,252.58614670,-0.76023971
1.36401325,2.89794977

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449196/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.58652

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.382857

>  <SCORE.INTRA>
-6.81348

>  <SCORE.INTRA.DIHEDRAL>
-6.86112

>  <SCORE.INTRA.DIHEDRAL.0>
15.6958

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.38292

>  <SCORE.INTRA.VDW.0>
2.1125

>  <SCORE.INTRA.norm>
-0.194671

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.188186

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  169.5686  211.7519  363.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.5332  212.9400  362.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.1119  213.2823  362.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.0096  214.4919  361.0845 C   0  0  2  0  0  0  0  0  0  0  0  0
  166.5489  214.7375  360.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.4006  214.0368  359.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.7293  214.2556  358.6300 N   0  3  2  0  0  0  0  0  0  0  0  0
  167.9222  213.5011  357.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
  168.7480  214.1583  359.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.7847  215.5407  357.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.9346  215.5266  356.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.6781  214.5558  355.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
  169.9183  213.9202  355.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.3989  212.9864  356.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.3156  212.1935  356.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
  168.6000  215.7529  361.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.8810  216.2374  361.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.4489  217.3436  362.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.7406  217.9837  363.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.4505  217.5650  363.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.8767  216.4853  362.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.7216  217.6741  361.6890 O   0  0  0  0  0  0  0  0  0  0  0  0
  171.9023  219.0433  361.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.6974  211.5952  357.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  1   7   1
M  END
>  <CHROM.1>
-179.84530699,178.54861344,103.10348264,-161.18028048,67.73902274,-143.38392067
72.06221282,45.57116348,177.68831457,128.21804935,169.04106292,215.05098340
360.09266693,1.28731991,1.09734934,1.34601800

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449197/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.9093

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.654545

>  <SCORE.INTRA>
-2.49071

>  <SCORE.INTRA.DIHEDRAL>
8.13755

>  <SCORE.INTRA.DIHEDRAL.0>
3.02928

>  <SCORE.INTRA.POLAR>
-1.43852

>  <SCORE.INTRA.POLAR.0>
-0.0613166

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.6685

>  <SCORE.INTRA.VDW.0>
2.4813

>  <SCORE.INTRA.norm>
-0.113214

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.541332

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001617

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  214.3488  185.8738  247.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0983  186.7048  246.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5256  187.9842  246.4213 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.4910  188.8718  245.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9362  188.4048  243.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9439  189.2053  242.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4651  190.4964  242.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9838  190.9898  244.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0062  190.1785  245.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1071  187.8346  247.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7889  188.4215  248.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2505  187.0071  246.3062 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9840  186.8181  246.7592 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2429  185.9762  246.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8466  185.7214  246.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0257  184.8200  245.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7015  184.6188  246.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1903  185.3100  247.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0146  186.1999  248.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3413  186.4045  247.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4775  186.9412  249.1880 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.2916  186.7350  249.4957 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2276  187.7228  249.7765 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.5825  183.8986  244.4741 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.6176  186.4404  245.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
171.64547499,51.01876899,131.20254005,-176.10134701,-179.91023595,209.83918429
187.00158479,246.31459764,-0.03087722,0.48767059,0.93808869

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449198/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.09056

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-1.30944

>  <SCORE.INTRA.DIHEDRAL>
0.284007

>  <SCORE.INTRA.DIHEDRAL.0>
1.88863

>  <SCORE.INTRA.POLAR>
5.13231e-05

>  <SCORE.INTRA.POLAR.0>
-5.13231e-05

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.45162

>  <SCORE.INTRA.VDW.0>
0.0625053

>  <SCORE.INTRA.norm>
-0.0545599

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.378773

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000374

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  206.8412  190.5749  229.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0034  189.8465  230.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5833  190.5198  231.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6962  189.9310  231.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3536  190.5798  232.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9202  191.8327  233.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7744  192.4006  232.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1096  191.7418  231.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7657  192.4868  234.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7813  191.9082  234.8357 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4109  193.7461  234.8994 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0059  194.4601  235.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3450  195.9543  236.2890 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.1024  193.8625  236.5028 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6243  194.0005  237.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0146  194.7841  238.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5513  194.8855  240.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7020  194.1615  240.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2664  193.3406  239.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7389  193.2514  238.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2672  194.1649  241.7201 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5107  194.5261  242.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3071  195.5632  243.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6140  195.0686  244.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3517  194.7687  242.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6418  193.7234  242.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7359  196.0421  241.0753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.4011  188.2701  231.3165 Br  0  0  0  0  0  0  0  0  0  0  0  0
  208.6001  194.2131  234.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.5880  193.1962  235.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-126.47015744,0.46734647,3.03766643,22.31452008,210.51488847,192.67096910
236.26256786,2.10807618,0.79737772,-2.43577761

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449199/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.83432

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-1.56568

>  <SCORE.INTRA.DIHEDRAL>
-2.30684

>  <SCORE.INTRA.DIHEDRAL.0>
7.22239

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.412262

>  <SCORE.INTRA.VDW.0>
1.65331

>  <SCORE.INTRA.norm>
-0.0559172

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.279797

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000237

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  225.5730  174.2014  246.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2043  174.7649  246.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2674  173.7727  245.9188 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.9248  173.8314  246.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7690  173.2777  247.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1974  173.8424  244.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4812  173.4165  243.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3179  173.1599  242.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2988  172.0580  241.8436 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.1936  171.8298  240.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6858  170.8099  242.5439 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3968  170.6508  243.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3940  170.5722  244.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7970  170.5201  244.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7107  170.5809  245.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2369  170.5530  247.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8620  170.4934  247.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9420  170.5106  246.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6502  170.4597  246.6245 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.7220  170.3921  245.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0292  170.4328  244.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9693  170.2633  243.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6528  170.1173  243.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3696  170.1600  245.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4032  170.2817  246.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7392  170.0642  245.7070 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  228.0130  170.6744  245.4215 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.9195  171.3352  246.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6730  170.5910  242.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
131.75133342,-74.11435671,67.41435413,165.82980308,-59.25103237,-179.08195398
77.87748958,-113.46221549,151.45067908,223.17354151,171.51634914,245.08209706
0.08358278,0.17758403,1.48962668

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449201/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.44283

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-5.95717

>  <SCORE.INTRA.DIHEDRAL>
3.17351

>  <SCORE.INTRA.DIHEDRAL.0>
2.19119

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.54392

>  <SCORE.INTRA.VDW.0>
3.86604

>  <SCORE.INTRA.norm>
-0.212756

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.30153

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  198.0800  216.1092  250.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5090  216.3579  250.7204 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1609  216.4453  252.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6483  217.2091  250.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9094  217.3064  252.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1815  216.4316  251.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <CHROM.1>
-71.14095351,199.28926123,216.34433372,251.21905368,2.66247472,-0.19913860
-1.53015920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449210/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.96838

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
2.13333

>  <SCORE.INTRA>
-0.431615

>  <SCORE.INTRA.DIHEDRAL>
0.0821138

>  <SCORE.INTRA.DIHEDRAL.0>
0.02935

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.472672

>  <SCORE.INTRA.VDW.0>
0.453851

>  <SCORE.INTRA.norm>
-0.143872

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
3

>  <SCORE.norm>
1.98946

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.265850

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  213.5951  188.4702  248.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7165  188.1805  247.4441 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.7988  187.0908  247.7875 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2576  186.0224  248.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7573  184.7638  248.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7519  184.0706  249.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8218  184.8569  249.6489 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4486  186.0579  249.1598 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3374  187.2075  249.1641 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.9910  187.4436  250.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9061  188.4451  250.4640 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.1426  187.7611  251.5160 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.6714  186.3347  250.9066 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.6688  182.6651  249.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6640  182.0069  249.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7769  182.2368  250.5396 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9884  180.9425  251.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1520  180.7007  251.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3886  179.4363  252.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4711  178.4070  252.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3245  178.6274  251.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0880  179.8908  250.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7790  176.7018  252.9043 Br  0  0  0  0  0  0  0  0  0  0  0  0
  213.5476  187.9443  246.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7670  188.7799  245.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5788  188.1796  244.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9843  186.9146  244.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3766  186.4522  245.9989 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.0419  186.9599  247.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.4572  182.9663  250.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  6  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-104.84546194,-2.15440814,-60.60291873,-177.57522832,214.00750617,183.61116458
249.72858881,-1.71586645,1.23109714,2.80621482

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449211/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.18661

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-4.21339

>  <SCORE.INTRA.DIHEDRAL>
-5.04948

>  <SCORE.INTRA.DIHEDRAL.0>
5.69734

>  <SCORE.INTRA.POLAR>
-0.0154702

>  <SCORE.INTRA.POLAR.0>
-0.117605

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.63605

>  <SCORE.INTRA.VDW.0>
-1.03235

>  <SCORE.INTRA.norm>
-0.150478

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.185236

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  206.2077  217.8263  257.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7975  218.3035  258.3409 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.2775  217.3776  259.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0536  216.6896  260.1606 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8850  217.2514  259.6594 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9014  217.4236  258.5815 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7981  216.3843  257.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6643  216.7341  256.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3278  216.9114  257.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4379  217.8935  258.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5567  217.4242  259.3239 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.8700  218.2325  260.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2714  217.6975  260.9590 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1349  216.5504  261.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4860  215.3991  261.7594 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6368  216.9453  263.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8199  219.7353  258.7717 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5023  220.2721  259.2539 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.6308  221.5540  260.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5664  221.3265  261.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2841  220.1379  262.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3135  220.2145  263.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2821  219.2603  264.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1992  218.2102  264.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1055  218.0726  263.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1391  219.0243  262.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6466  220.5985  258.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4592  220.3608  257.8899 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3715  221.2191  257.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6127  216.1793  263.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0887  220.2740  257.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7723  221.4081  256.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  6  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <CHROM.1>
17.87939664,-175.81439962,26.69216823,0.19375160,-177.58426725,160.59403138
-55.52328876,138.30515693,-52.41354567,-82.07493213,-179.35648963,202.93949719
218.43818145,260.05918881,-2.27438978,0.78991199,1.96754121

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449212/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30012

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496552

>  <SCORE.INTRA>
-7.09988

>  <SCORE.INTRA.DIHEDRAL>
-1.06618

>  <SCORE.INTRA.DIHEDRAL.0>
6.32593

>  <SCORE.INTRA.POLAR>
0.594847

>  <SCORE.INTRA.POLAR.0>
-0.811875

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.58927

>  <SCORE.INTRA.VDW.0>
0.39686

>  <SCORE.INTRA.norm>
-0.244823

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.251728

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010561

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  191.9677  207.3786  265.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5252  208.8098  265.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0143  209.2385  264.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6924  210.5158  263.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0692  211.3134  264.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2215  210.8232  262.3213 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.7236  210.5911  262.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5962  211.6868  262.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9438  211.4935  261.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4394  210.2058  261.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6010  209.1070  261.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2536  209.2962  262.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5253  210.0613  261.2266 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8692  210.3449  261.0104 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.6087  211.7373  261.2752 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5279  209.8168  259.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.1149  209.3204  262.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5807  208.0654  262.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7332  207.2863  263.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4629  207.7283  263.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0054  208.9754  263.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8417  209.7728  262.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7321  209.2910  263.8162 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4773  210.6543  264.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6904  207.3617  262.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5580  206.2261  261.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6537  209.0582  261.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  1  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.35085382,2.65115705,-55.76956744,-108.50942973,62.53326501,35.67615704
-35.51372722,-106.98284323,144.80045911,190.79738864,209.53571777,262.61887817
-0.21458544,-0.00693112,2.39711068

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449213/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.90718

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-5.49282

>  <SCORE.INTRA.DIHEDRAL>
1.00269

>  <SCORE.INTRA.DIHEDRAL.0>
8.06498

>  <SCORE.INTRA.POLAR>
-0.823773

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.19334

>  <SCORE.INTRA.VDW.0>
-0.430146

>  <SCORE.INTRA.norm>
-0.211262

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.342584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  194.8162  218.8058  257.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0478  218.1605  258.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0917  218.8966  259.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8548  220.2120  259.2091 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6284  220.8090  258.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6065  220.1575  257.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3659  222.2605  258.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9540  222.9546  257.2125 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3802  222.7047  258.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0690  221.9544  259.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.89582670,0.00225295,193.59874455,220.65424486,258.33294431,-1.30272248
0.74813906,-0.32331825

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449214/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
3.65477e-06

>  <SCORE.INTRA.DIHEDRAL>
3.90061e-06

>  <SCORE.INTRA.DIHEDRAL.0>
2.00002e-05

>  <SCORE.INTRA.POLAR>
6.41403e-07

>  <SCORE.INTRA.POLAR.0>
-0.408355

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.76301e-07

>  <SCORE.INTRA.VDW.0>
0.714407

>  <SCORE.INTRA.norm>
4.06086e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.711112

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002492

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  190.9044  221.0063  264.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3954  220.5019  263.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0202  220.5213  263.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1525  221.0605  264.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6639  221.5669  265.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0416  221.5348  265.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6913  220.9851  263.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2984  220.5166  262.8991 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8730  221.5200  264.9525 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8927  222.9132  265.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5952  223.7983  264.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6644  225.1709  264.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0717  225.6715  265.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3284  224.8229  266.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1985  223.4197  266.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4007  222.4588  267.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3370  221.2447  267.4979 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5693  223.0302  268.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8189  225.3790  267.9274 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1062  225.9808  268.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2737  225.2388  267.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5226  225.8717  267.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6140  227.2469  268.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4635  227.9821  268.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2228  227.3492  268.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7091  220.8987  265.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.6653  222.3781  269.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.7104  224.6630  268.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-3.77853257,65.52843037,58.11753460,-66.39651909,1.19905602,177.70801604
-62.70101071,187.72690339,223.42167565,266.08886042,-1.69329937,-0.02609550
0.61607783

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449215/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.94289

>  <SCORE.INTRA.DIHEDRAL>
-6.21774

>  <SCORE.INTRA.DIHEDRAL.0>
8.31488

>  <SCORE.INTRA.POLAR>
-0.278189

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
-1.34799

>  <SCORE.INTRA.norm>
-0.237716

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.218284

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001564

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  212.0599  202.5528  240.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6149  201.1341  240.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7055  200.7180  242.0853 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.3156  200.6960  242.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6326  199.6865  242.8773 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9162  201.8905  243.2466 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3230  199.3759  242.1918 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0180  203.6103  240.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1365  203.5228  242.4137 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1128  204.1879  243.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0023  204.8522  242.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0337  204.0243  244.4305 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0409  201.8823  243.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6647  198.6955  241.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.3524  199.1227  243.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3341  203.2106  242.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2793  203.5398  244.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.7307  204.4909  244.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <CHROM.1>
67.08267103,-67.08362305,61.97771916,95.98651903,-68.47460375,-179.58319124
167.51013860,212.72078416,202.17608626,242.35752395,-2.86458458,0.99817063
1.38449772

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449216/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.894

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
0.992956

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.657833

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017180

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  209.3574  186.6100  258.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7696  186.1035  257.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2415  185.7121  257.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5234  184.3422  257.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5242  184.1443  258.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6116  183.3623  257.2713 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2618  183.6674  257.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4121  182.9646  257.8828 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8944  184.9438  256.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9920  181.9796  257.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4706  181.0417  256.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1406  181.3734  255.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6284  182.6809  254.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4196  183.0315  253.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7985  184.1269  252.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8753  185.5484  253.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1739  185.8412  253.7320 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9006  184.7648  254.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8010  183.4529  253.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7677  187.0708  253.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2587  187.8752  252.5604 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8250  189.0609  252.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9188  189.5791  252.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4375  188.7929  253.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8859  187.5498  254.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5850  186.9869  255.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6341  187.7553  255.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7832  189.1900  254.9651 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
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 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
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M  END
>  <CHROM.1>
-144.15144755,65.14622517,-73.18308937,173.30464856,168.60250004,-12.76836508
211.97842222,185.44418392,255.29788312,-3.04544684,-0.96077352,-1.91880126

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72786

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
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>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.311709

>  <TransFSReceptor>
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>  <TransFSScore>
0.002538

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 42  0  0  0  0  0  0  0  0999 V2000
  183.6629  223.6208  265.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9133  224.4680  263.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2176  224.7224  263.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4540  225.4084  262.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3994  225.8659  261.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0925  225.6596  262.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8528  224.9489  263.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6835  226.5422  260.1915 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.5913  228.0785  260.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9902  226.0228  259.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2225  224.8614  259.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1931  224.0288  258.7363 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8849  223.1680  259.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5702  222.9569  260.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3078  222.1621  261.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3623  221.5884  262.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6745  221.8054  261.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9267  222.5944  260.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0406  220.6189  263.4455 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.2321  226.9383  259.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4234  227.6484  260.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1341  226.8806  258.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7502  226.4277  257.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6732  226.4581  255.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9121  227.0462  256.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2080  227.7098  257.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
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  189.9735  227.6091  259.7208 O   0  0  0  0  0  0  0  0  0  0  0  0
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  191.0763  226.9654  255.4568 O   0  0  0  0  0  0  0  0  0  0  0  0
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  188.6351  226.6253  253.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4799  226.0707  256.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4931  227.0836  256.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5929  226.2255  259.2910 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2007  223.5868  257.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.8769  227.9500  259.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.7119  225.2897  259.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
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 24 25  2  0  0  0  0
 24 32  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 28 38  1  0  0  0  0
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 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
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 36 39  1  0  0  0  0
M  END
>  <CHROM.1>
-99.84211597,73.45624573,-73.19031260,37.89650559,-88.71873760,134.15832132
22.93294187,69.06250416,138.00386044,176.96976000,186.37898320,225.33299154
259.58451333,-2.90690047,-0.92200386,-2.27278914

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449226/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
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>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
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>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
-0.00771646

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  201.5235  201.2125  258.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1691  202.3723  257.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6654  202.2945  256.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5259  201.0644  255.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9070  199.9105  256.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3901  199.9793  257.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0012  200.9701  254.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6262  202.1220  253.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0932  202.0600  252.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9650  200.8354  251.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3346  199.6684  252.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8436  199.7374  253.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4005  200.6957  250.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2048  201.7935  249.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5571  202.9486  249.7641 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5990  201.3328  248.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3881  200.5872  248.5106 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4038  199.2328  248.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3888  198.2906  248.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2581  197.0122  249.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1774  196.7042  250.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1801  197.6496  250.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2876  198.8907  249.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1467  200.2388  249.7708 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.2393  201.2862  248.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0105  202.4659  248.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
0.32462960,14.72892858,4.85114250,54.76808463,-80.35082631,198.00499476,200.46599407
251.77657242,0.15706546,0.96926429,2.77962399

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449227/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.72712

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.672875

>  <SCORE.INTRA.DIHEDRAL>
-2.07514

>  <SCORE.INTRA.DIHEDRAL.0>
4.21202

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.364694

>  <SCORE.INTRA.VDW.0>
-1.97064

>  <SCORE.INTRA.norm>
-0.0258798

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.37412

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005318

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  194.2205  226.8331  250.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7714  226.9174  252.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8587  225.5320  252.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5943  224.7815  252.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6836  225.0507  251.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8061  226.2250  250.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6299  224.1662  251.6393 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7415  223.2722  252.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0758  223.4494  253.6521 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.9656  222.1864  252.8736 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9002  221.7921  252.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4964  222.3821  251.1001 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2938  220.5246  252.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6525  219.7626  253.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8191  218.6204  253.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8692  218.5222  252.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9887  219.7982  251.6716 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.2824  221.5818  253.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
3.87246245,3.06893800,191.27235278,222.78228616,252.36692066,0.61692038,-0.63844524
-0.76695629

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449228/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4997

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.900295

>  <SCORE.INTRA.DIHEDRAL>
-1.56816

>  <SCORE.INTRA.DIHEDRAL.0>
1.89054

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.116215

>  <SCORE.INTRA.VDW.0>
-0.433687

>  <SCORE.INTRA.norm>
-0.0529586

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.382336

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000457

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  180.2712  215.4456  263.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5937  216.9249  263.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0211  217.0699  263.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4927  218.3403  262.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8087  219.3517  262.9911 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8640  218.3593  263.0685 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.4789  218.0441  264.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7182  219.0882  265.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1444  218.8061  266.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3664  217.4854  266.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1490  216.4434  265.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7096  216.7130  264.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4400  215.6116  263.9219 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0669  215.5873  262.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2062  219.2429  262.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.80286224,6.26248371,-68.32866004,-89.64641696,56.48401357,183.50819145
217.34389183,264.10337012,-2.87643764,-0.58056220,0.23554553

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449229/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37755

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-4.02245

>  <SCORE.INTRA.DIHEDRAL>
-4.85828

>  <SCORE.INTRA.DIHEDRAL.0>
9.34958

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.59331

>  <SCORE.INTRA.VDW.0>
0.79436

>  <SCORE.INTRA.norm>
-0.287318

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.455539

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000182

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  196.0633  195.2212  263.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0379  196.3667  263.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3923  196.4900  261.6856 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7254  197.8793  261.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5068  198.7521  260.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4416  195.5231  261.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3070  195.0403  259.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3223  196.1189  258.9391 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2079  195.9813  257.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0206  194.8690  257.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1075  197.1049  256.8059 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2966  198.4083  257.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3443  198.6519  258.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5805  199.9381  258.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7637  200.9951  258.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7189  200.7707  257.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4885  199.4865  256.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1040  199.2425  255.8644 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.8797  197.9784  254.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5361  197.9163  253.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0764  196.9270  252.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9587  195.9870  253.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2930  196.0264  254.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7550  197.0241  255.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
150.76680707,-83.24803539,147.65252524,57.05119878,-179.41048947,3.55282870
197.64769013,197.48307476,257.89912323,-0.45898313,1.55762019,-2.51881048

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449230/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.47478

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-7.92522

>  <SCORE.INTRA.DIHEDRAL>
-13.6678

>  <SCORE.INTRA.DIHEDRAL.0>
16.8787

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.09131

>  <SCORE.INTRA.VDW.0>
0.0716073

>  <SCORE.INTRA.norm>
-0.330217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.144783

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004854

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  206.2801  203.1390  248.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1324  204.0550  247.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6936  203.4107  246.0676 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4544  202.0972  246.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8523  201.8956  247.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7944  203.9121  244.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3344  205.1246  244.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9070  204.9388  243.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5902  203.6753  242.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6594  203.1187  243.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0555  201.9011  243.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6146  201.1798  242.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6874  201.6861  241.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1453  202.9926  241.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9614  199.4423  241.7656 Br  0  0  0  0  0  0  0  0  0  0  0  0
  206.4882  206.4204  244.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0624  206.7830  246.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1757  207.2698  244.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4347  206.8149  243.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-0.45882169,-5.09354830,-0.91098004,205.87644410,202.70050847,243.84030244
0.91888787,1.27908856,1.25515846

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449231/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.28691

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-1.11309

>  <SCORE.INTRA.DIHEDRAL>
-2.36238

>  <SCORE.INTRA.DIHEDRAL.0>
6.3678

>  <SCORE.INTRA.POLAR>
-0.0107479

>  <SCORE.INTRA.POLAR.0>
-0.344421

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.104644

>  <SCORE.INTRA.VDW.0>
-0.748935

>  <SCORE.INTRA.norm>
-0.0618384

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.349273

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000845

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  197.7921  213.9926  258.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1884  213.1623  257.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3398  211.9853  257.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0828  210.4513  256.9649 S   0  0  1  0  0  0  0  0  0  0  0  0
  198.4009  210.2479  257.6566 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8869  209.3065  257.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3022  207.8918  257.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6144  206.9974  258.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0659  205.3704  258.0434 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.2694  204.9050  259.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-118.93956198,65.10972056,-175.60274546,118.89748983,-179.97387754,197.01255528
209.46773007,257.65902001,-1.50774569,0.15092885,3.05659999

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449232/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2841

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.15556

>  <SCORE.INTRA>
-0.11588

>  <SCORE.INTRA.DIHEDRAL>
-0.0366961

>  <SCORE.INTRA.DIHEDRAL.0>
0.113524

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0975318

>  <SCORE.INTRA.VDW.0>
-0.94165

>  <SCORE.INTRA.norm>
-0.0128755

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.14268

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.080088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  201.4798  224.8811  255.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6141  223.7083  256.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1786  222.3397  255.8409 N   0  3  1  0  0  0  0  0  0  0  0  0
  200.8757  222.2100  254.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.6908  222.1682  255.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4788  223.4355  255.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9351  224.6930  256.1680 N   0  3  2  0  0  0  0  0  0  0  0  0
  203.4482  225.5014  255.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2324  224.7160  257.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5347  225.7630  258.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5670  225.3963  259.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8232  226.3763  260.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0446  227.7258  259.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0031  228.1054  258.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7385  227.1311  258.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4201  221.1797  256.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7590  221.1734  258.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5617  220.3251  258.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0625  222.0782  258.8373 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3048  222.0486  260.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7165  222.9307  260.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9514  222.9235  262.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7161  222.1115  263.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5395  222.5625  264.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6842  223.6378  264.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3210  223.8669  263.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3994  222.7599  258.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  2   3   1   7   1
M  END
>  <CHROM.1>
-69.46722720,-42.49208420,112.44685043,-102.67752386,176.55431588,-0.80323133
201.22331125,223.75354584,259.03948784,-0.51864333,1.21524783,0.63102623

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449233/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.9846

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-1.4154

>  <SCORE.INTRA.DIHEDRAL>
0.330007

>  <SCORE.INTRA.DIHEDRAL.0>
2.42362

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.5804

>  <SCORE.INTRA.VDW.0>
-1.60277

>  <SCORE.INTRA.norm>
-0.058975

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.416025

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000210

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  197.4577  217.1833  242.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2392  216.4961  243.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4856  217.3977  243.9377 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3509  216.8847  244.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2276  217.1610  245.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2112  216.5659  246.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3002  215.6866  246.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2833  215.5670  244.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2551  214.9324  243.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1918  214.9060  242.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1803  215.5337  241.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2134  216.1851  242.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3122  216.1975  243.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2920  215.0123  246.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5620  214.9463  248.2548 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1248  214.3965  246.4996 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.8149  215.0402  246.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7592  216.5277  246.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0186  216.8937  244.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9351  216.3862  243.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1201  218.4205  244.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0458  212.9094  246.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0051  212.1589  245.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5086  212.4720  245.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0455  211.9367  247.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3576  211.8979  244.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4463  215.4114  248.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.83308571,132.18015376,-20.66436498,-110.52210626,52.01426112,-70.55561745
58.65428622,66.50369694,60.65265224,68.10261394,192.05233080,215.36253384
245.03405024,0.46751916,0.24040116,-0.55218947

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449234/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.10323

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.592308

>  <SCORE.INTRA>
-10.2968

>  <SCORE.INTRA.DIHEDRAL>
-14.9328

>  <SCORE.INTRA.DIHEDRAL.0>
20.589

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.83036

>  <SCORE.INTRA.VDW.0>
-1.51863

>  <SCORE.INTRA.norm>
-0.39603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.196278

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  201.2322  210.5097  256.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1279  209.4530  257.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7988  210.0721  257.2477 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4529  211.0158  256.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5488  212.0799  255.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8523  211.4292  255.8101 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.7097  211.7255  254.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8865  211.0907  254.7211 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.7173  211.3467  253.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4317  212.2837  252.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4077  212.5425  251.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5556  211.7688  251.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8111  210.8010  252.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9105  210.6309  253.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7154  212.0123  250.1352 Br  0  0  0  0  0  0  0  0  0  0  0  0
  202.1555  212.8673  252.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3223  212.5990  253.8469 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5692  213.7740  251.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5622  214.6945  252.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0373  215.5809  251.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5264  215.5860  249.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4988  214.6687  249.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9707  213.7453  250.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8421  209.7698  258.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7456  210.3276  258.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1598  208.7327  259.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2782  208.4528  260.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6419  207.4163  261.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6967  206.8039  261.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6784  207.2191  262.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8723  206.5509  262.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
4.02375695,-156.31163988,177.19551854,0.48309525,-179.60747692,201.74077634
211.38067001,254.35033401,-2.24254204,0.39051714,-0.85139111

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449235/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72295

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-0.67705

>  <SCORE.INTRA.DIHEDRAL>
-0.634149

>  <SCORE.INTRA.DIHEDRAL.0>
1.57479

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.359976

>  <SCORE.INTRA.VDW.0>
0.569441

>  <SCORE.INTRA.norm>
-0.0225683

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.290765

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015208

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  205.0311  188.6750  252.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0267  189.9758  251.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0366  189.9548  250.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0942  191.2884  249.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1813  191.3122  248.4779 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1691  192.4872  247.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4143  193.7522  248.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3855  194.8876  247.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1260  194.7834  246.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8626  193.5182  245.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8862  192.3792  246.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1199  196.0280  245.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4634  196.3729  244.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7138  196.1845  243.4658 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4142  196.8593  245.5166 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6842  197.1397  244.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3103  196.9313  246.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1931  197.4291  245.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-179.73710973,-179.97262415,179.60848829,-31.58706352,90.98287123,104.91107829
-177.62066219,204.11272514,193.49165978,247.36069846,-1.62246428,-0.47300667
-0.77280186

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449236/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.3899

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-1.01005

>  <SCORE.INTRA.DIHEDRAL>
1.29265

>  <SCORE.INTRA.DIHEDRAL.0>
2.04321

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.65638

>  <SCORE.INTRA.VDW.0>
1.29564

>  <SCORE.INTRA.norm>
-0.0631284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.649372

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.062339

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  192.3484  198.1864  258.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1833  199.6767  258.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4149  200.3092  258.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4879  201.6668  258.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7411  202.2072  258.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9745  203.5759  258.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9484  204.4140  258.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6910  203.8847  258.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4523  202.5085  258.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6459  204.8588  259.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9806  206.0384  259.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4052  204.3476  259.7104 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2899  205.1330  260.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1400  204.5450  260.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0618  205.3796  261.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1038  206.7612  260.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2216  207.3450  260.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3011  206.5208  259.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2202  208.7544  259.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1890  209.4549  259.2951 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7616  210.7519  259.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3937  211.9587  259.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7256  213.1543  259.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4462  213.1450  259.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7923  211.9441  260.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5043  210.7846  259.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1356  209.4995  260.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9638  203.0745  260.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3392  203.3485  259.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 27  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-179.70158078,178.38702882,-1.56877692,-169.31111265,179.92417141,190.19135655
205.96080551,259.50169964,1.05515713,-0.36085010,3.07538723

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449237/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.65258

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-1.74742

>  <SCORE.INTRA.DIHEDRAL>
-4.93356

>  <SCORE.INTRA.DIHEDRAL.0>
5.33543

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0146279

>  <SCORE.INTRA.REPUL.0>
0.0200679

>  <SCORE.INTRA.VDW>
0.792503

>  <SCORE.INTRA.VDW.0>
0.703029

>  <SCORE.INTRA.norm>
-0.0624077

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.309021

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000367

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  211.8561  182.2842  245.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0288  183.4350  244.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0091  183.8074  245.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2098  184.8468  245.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2715  185.3826  244.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1652  185.1186  246.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3911  185.2137  247.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9615  185.3424  248.4629 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.0093  185.4630  247.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7481  185.2438  245.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1184  185.0917  244.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7718  184.4823  243.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0882  184.2620  242.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7425  184.6113  242.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1053  185.2718  243.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7988  185.5321  244.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1502  184.2992  240.9632 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9465  183.5400  241.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5494  185.2399  248.3161 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7312  185.6889  247.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8291  186.1092  246.6101 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9173  185.7476  248.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0640  186.1752  248.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2770  186.2938  248.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4523  186.8260  248.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5906  186.9447  249.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5596  186.5210  250.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3910  185.9793  251.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2603  185.8786  250.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0751  185.3826  250.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8721  185.3713  250.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8177  185.0680  250.6534 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4645  185.1532  249.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 31  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
179.66645296,4.84181157,46.66572339,25.81724139,16.23995856,126.71652478
179.41351820,209.60513868,185.17119466,246.64196550,-0.63627823,0.00724013
-1.79456268

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449238/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.70473

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-6.69527

>  <SCORE.INTRA.DIHEDRAL>
-15.5854

>  <SCORE.INTRA.DIHEDRAL.0>
31.6913

>  <SCORE.INTRA.POLAR>
-0.0675156

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.32697

>  <SCORE.INTRA.VDW.0>
-0.0801169

>  <SCORE.INTRA.norm>
-0.209227

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.178273

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000193

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  223.9850  183.7905  239.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6795  183.9493  241.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9502  185.0688  241.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7209  185.1884  243.3055 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1695  184.1429  244.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0033  184.1699  245.2553 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8230  183.0325  243.3213 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.1077  182.8034  242.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9128  181.7111  241.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1851  186.3436  244.0661 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.3033  187.5835  243.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2559  188.6766  244.3822 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.5570  188.2062  243.7271 C   0  0  2  0  0  0  0  0  0  0  0  0
  225.5071  186.7582  243.6673 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.8392  188.6360  244.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9171  188.0032  245.7149 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3745  188.6622  245.8519 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.0803  189.7219  246.4404 N   0  3  0  0  0  0  0  0  0  0  0  0
  223.8137  190.6904  246.9742 N   0  5  0  0  0  0  0  0  0  0  0  0
  222.4646  182.2529  243.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.0880  188.2394  246.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
>  <CHROM.1>
80.12179618,-122.48456518,66.09901871,-55.30913052,224.19462891,186.16277476
243.80581892,-1.89862186,0.76393836,0.79365344

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449239/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59903

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-3.80097

>  <SCORE.INTRA.DIHEDRAL>
-1.1386

>  <SCORE.INTRA.DIHEDRAL.0>
3.55582

>  <SCORE.INTRA.POLAR>
-0.799707

>  <SCORE.INTRA.POLAR.0>
-0.0330047

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.512668

>  <SCORE.INTRA.VDW.0>
-0.742926

>  <SCORE.INTRA.norm>
-0.200051

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.242054

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000167

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  214.1917  182.5266  244.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6504  183.8743  244.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9802  184.0888  244.1045 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5723  185.2586  244.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9455  185.3175  244.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6823  186.4432  244.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0519  187.5312  245.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6629  187.4853  245.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9235  186.3570  245.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7288  188.6904  245.6276 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0685  189.0045  245.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9307  188.2570  245.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4798  190.3820  245.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9497  191.7927  244.9616 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.2283  191.7647  245.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5479  191.0830  246.0245 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2129  191.3127  245.7870 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0990  192.1113  244.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3732  192.5279  244.3893 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7144  193.7159  243.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0986  193.4212  242.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3029  193.7114  241.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8484  192.5095  244.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8331  193.3035  242.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7050  193.6561  242.2845 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5304  193.2113  242.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4281  192.4587  243.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6005  192.1393  244.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1519  189.4164  246.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-179.79556684,167.27182347,3.12205043,-73.21581081,66.89033902,13.37001991
-176.82184159,90.51982929,-118.79952933,217.00143224,189.81648397,244.41979697
1.55221835,0.20319613,3.02015266

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449241/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.88873

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-8.51127

>  <SCORE.INTRA.DIHEDRAL>
-8.42242

>  <SCORE.INTRA.DIHEDRAL.0>
11.9709

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.900062

>  <SCORE.INTRA.VDW.0>
-0.685968

>  <SCORE.INTRA.norm>
-0.303974

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.210312

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000007

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  198.1883  213.7780  245.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5311  212.7034  244.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2611  212.2838  243.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5642  211.4661  242.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8656  211.5162  241.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8893  212.4671  242.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4054  213.3390  243.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1970  210.7226  240.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2906  209.9741  239.8341 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0518  209.9900  240.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6004  210.6784  241.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1927  210.3987  241.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6245  209.5753  240.7914 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7586  209.1133  239.6770 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.4580  210.9398  242.6648 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4842  210.7647  239.9820 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4281  209.6777  240.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8091  210.3436  240.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1645  210.9377  239.1206 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1781  211.9058  238.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7475  211.3167  238.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1935  211.5195  244.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6864  210.7396  243.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1885  211.9109  242.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
101.82556364,-62.70561247,198.56693793,211.06679283,241.32298811,-2.86722748
-0.23231143,-2.12276439

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449250/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.2208

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-1.1792

>  <SCORE.INTRA.DIHEDRAL>
0.0225587

>  <SCORE.INTRA.DIHEDRAL.0>
0.926214

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.19048

>  <SCORE.INTRA.VDW.0>
-0.423398

>  <SCORE.INTRA.norm>
-0.0536

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.282764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005312

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  196.9127  213.5165  243.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7693  214.1589  244.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7741  213.8538  245.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9357  212.9612  245.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9309  212.2295  245.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1077  211.4732  245.7233 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9585  212.4995  243.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1622  211.8539  242.9426 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0192  212.7625  247.4054 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.3744  211.6452  247.7961 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8059  213.7513  248.1223 O   0  5  0  0  0  0  0  0  0  0  0  0
  198.6749  215.0989  243.5693 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7097  215.4548  242.2355 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5238  215.7778  244.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2608  212.1269  241.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1327  216.3307  242.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2320  216.0814  243.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
>  <CHROM.1>
2.15190647,157.68643145,159.32258319,197.17097394,213.40811347,245.00571944
0.91553908,-0.77131827,-1.37608081

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449251/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.4543

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-2.9457

>  <SCORE.INTRA.DIHEDRAL>
-6.63694

>  <SCORE.INTRA.DIHEDRAL.0>
7.73681

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.372774

>  <SCORE.INTRA.VDW.0>
-0.117973

>  <SCORE.INTRA.norm>
-0.210407

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.246736

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.331201

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  221.7463  177.1411  240.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7068  177.8113  241.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9595  178.3207  240.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8272  178.9724  241.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4376  179.0821  242.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1827  178.5534  243.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3336  177.9386  242.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1563  179.7000  244.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9705  179.4375  241.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.4208  180.7434  241.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4331  181.8658  240.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7885  182.8633  240.3177 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1311  181.6869  241.3924 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3844  182.6378  241.0714 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.0551  182.4469  241.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0808  183.3408  241.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7133  183.0107  241.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6824  183.8526  241.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9746  185.1981  240.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0572  185.9915  240.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3932  185.5229  240.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3586  184.6196  240.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5703  186.7637  239.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8418  187.3842  239.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3532  183.5499  241.5414 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7878  184.1623  242.6549 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4424  183.2458  240.5306 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4133  178.1725  239.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5627  185.0439  242.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2237  184.1147  240.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
133.66084756,-59.68739157,-133.00680163,179.78120950,-179.67761468,106.71207098
154.10633612,79.77546360,-76.45409146,221.97569203,182.01011967,241.14458066
0.79126397,-0.08681565,2.92651591

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449252/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.08917

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-16.4892

>  <SCORE.INTRA.DIHEDRAL>
-23.3279

>  <SCORE.INTRA.DIHEDRAL.0>
28.7725

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.8252

>  <SCORE.INTRA.VDW.0>
3.21254

>  <SCORE.INTRA.norm>
-0.588899

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
-0.146042

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007956

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  208.0149  212.7339  254.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5272  212.7760  254.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7705  214.0886  254.8916 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.5180  213.9442  254.1227 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5021  213.0288  252.9730 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.2456  212.6189  252.7084 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.7209  214.0836  252.1716 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.8642  214.9581  253.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6397  216.0765  253.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3356  213.5862  251.8711 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4350  213.2123  252.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6249  213.4068  254.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1707  212.4898  252.2727 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9147  213.3430  252.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8118  212.8800  253.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6579  213.6571  253.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5819  214.9028  252.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6507  215.3616  251.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8042  214.5845  251.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4394  212.0315  250.9023 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6063  215.3417  254.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0700  216.1367  255.3172 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7025  215.4800  253.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4565  216.6189  252.7191 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.4696  216.7126  251.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4323  216.8194  250.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7473  216.9196  248.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0845  216.9279  248.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1228  216.8555  249.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7773  216.7518  250.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6568  216.6797  251.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8668  216.7857  251.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8599  216.4686  253.0404 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8560  211.5572  255.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0965  213.3405  250.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5962  211.5592  250.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1716  211.3253  250.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  1  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  6  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 33  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <CHROM.1>
-112.94442295,58.16936933,-108.85390785,-120.19594327,179.54578578,179.78208533
-178.13519328,204.50226167,214.60459450,252.62490774,-0.19486764,0.15869153
2.24767249

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449253/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78945

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-5.61055

>  <SCORE.INTRA.DIHEDRAL>
-8.59682

>  <SCORE.INTRA.DIHEDRAL.0>
12.5883

>  <SCORE.INTRA.POLAR>
-0.201513

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.627001

>  <SCORE.INTRA.VDW.0>
-3.85499

>  <SCORE.INTRA.norm>
-0.165016

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.19969

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  215.5333  196.2232  244.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7365  197.0890  244.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9471  197.7850  243.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0723  198.6300  243.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0017  198.7624  244.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8192  198.0577  245.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7051  197.2301  245.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5856  196.4099  247.0788 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.1330  197.7669  242.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2204  198.5521  241.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9878  199.4891  240.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1831  198.2657  239.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2181  199.0401  238.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1856  199.1747  237.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3813  200.1117  236.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3595  200.4040  235.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1269  199.7667  236.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9184  198.8352  237.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9412  198.5418  237.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3039  197.1900  242.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
170.95864491,178.36288798,175.70542057,215.89266016,198.25839662,241.67587112
1.06725089,0.45992295,2.07793197

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449254/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.98567

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-4.41433

>  <SCORE.INTRA.DIHEDRAL>
-5.89001

>  <SCORE.INTRA.DIHEDRAL.0>
6.13207

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.46933

>  <SCORE.INTRA.VDW.0>
2.25411

>  <SCORE.INTRA.norm>
-0.232333

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.209772

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000630

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  205.9851  203.6367  243.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9072  203.7149  242.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1790  204.9276  242.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2793  202.3422  242.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5995  202.2980  240.9117 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3485  201.0013  242.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3545  199.7258  242.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3975  199.1301  241.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4746  199.7516  240.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4331  197.7732  241.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4708  201.2566  244.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5691  200.2141  245.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4951  197.3056  240.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
155.20740284,161.34254381,-179.52357521,2.07699674,-177.90471199,207.25722951
201.24776912,242.36463601,3.07540549,1.45649900,-1.16925554

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449255/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94914

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-3.45086

>  <SCORE.INTRA.DIHEDRAL>
-2.77041

>  <SCORE.INTRA.DIHEDRAL.0>
5.92565

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.06566

>  <SCORE.INTRA.VDW.0>
4.08548

>  <SCORE.INTRA.norm>
-0.287572

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.495761

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048376

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 35  0  0  0  0  0  0  0  0999 V2000
  193.3187  203.5193  250.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4571  203.9517  250.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3336  203.8899  248.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7330  205.0312  247.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6412  205.0881  246.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1700  203.9923  245.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8012  202.8377  246.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8831  202.7841  247.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0204  204.0112  244.3352 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.3294  203.7116  243.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3155  204.9019  243.6779 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.6247  206.1673  243.4930 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2643  206.3168  243.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9802  207.5909  243.5855 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2035  208.1861  243.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2472  207.3580  243.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2839  209.5074  243.5766 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4544  205.2516  243.8061 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4418  204.6717  242.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6995  204.2316  243.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8168  204.2540  242.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7109  204.7740  241.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4784  205.2241  240.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4056  205.8242  239.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1872  206.2505  238.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0168  206.0226  239.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0769  205.4523  240.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3080  205.1028  241.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6384  209.9973  244.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4881  209.9728  242.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.5191  205.4666  244.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  1  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  6  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
132.47029106,82.86907499,-103.41927617,39.00314042,195.74132274,205.23779454
244.02281490,-2.17640318,0.76094120,-0.89384135

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449256/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.02375

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-1.37625

>  <SCORE.INTRA.DIHEDRAL>
1.13285

>  <SCORE.INTRA.DIHEDRAL.0>
3.26954

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94267

>  <SCORE.INTRA.VDW.0>
-0.0372043

>  <SCORE.INTRA.norm>
-0.0491516

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.286563

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000257

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 39  0  0  0  0  0  0  0  0999 V2000
  196.8210  209.6964  248.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4582  209.7498  247.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7245  211.1034  246.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9806  212.3025  246.9307 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8569  213.5138  247.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4913  214.5115  248.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4663  213.8746  249.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0908  214.6611  250.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8234  215.8449  250.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0354  213.8629  251.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4005  212.5699  251.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5815  214.6031  252.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3938  212.3670  246.2240 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.5692  212.9180  244.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8861  211.0164  246.3725 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3292  213.5213  247.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0774  213.0820  248.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4393  214.0927  249.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1237  213.6339  250.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6298  214.6944  251.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3041  214.2637  253.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8376  215.3865  254.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5409  214.8774  255.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1127  215.8318  256.4902 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.5772  213.9202  255.6099 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.6308  214.3006  256.1995 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.7983  216.3496  254.2971 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.7471  215.9966  253.6923 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.3345  213.2999  253.2855 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.3890  213.6478  253.8829 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.5497  215.7048  251.9639 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.5088  215.2850  251.3818 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.1996  212.6296  250.8844 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.2290  213.0283  251.4572 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.2704  215.1806  249.5880 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.3149  214.5854  248.9240 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.2473  211.9882  248.5232 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.2236  212.6013  249.1264 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.8394  214.7854  247.1820 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.1073  213.6260  246.5227 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
-60.28115003,139.08606494,-152.36147779,-77.60882036,56.00071441,-177.02073271
-2.49434601,3.71959939,-63.93397637,168.18791863,177.31190624,173.26997422
179.80154629,179.46448592,-179.67986775,-179.78468662,193.22280038,213.73386881
250.43869342,-1.06379514,-0.17133622,1.33862107

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449257/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.83929

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.535

>  <SCORE.INTRA>
-15.5607

>  <SCORE.INTRA.DIHEDRAL>
-11.0283

>  <SCORE.INTRA.DIHEDRAL.0>
14.4144

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.0466

>  <SCORE.INTRA.VDW.0>
0.0157014

>  <SCORE.INTRA.norm>
-0.389018

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.145982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046645

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  203.9810  196.8344  246.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0392  195.5314  245.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4950  194.4472  246.5976 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3397  197.2775  246.9574 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9512  196.3375  247.8632 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3223  194.7522  247.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3012  198.2148  247.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4908  196.3362  248.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.9427  196.5266  248.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <CHROM.1>
67.94985862,-65.85670119,-51.37557318,-67.85062847,204.80700640,196.06243918
246.81324832,0.83266609,-0.70993948,0.03018324

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449266/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.69402

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.68

>  <SCORE.INTRA>
-2.70598

>  <SCORE.INTRA.DIHEDRAL>
-0.510086

>  <SCORE.INTRA.DIHEDRAL.0>
1.24711

>  <SCORE.INTRA.POLAR>
-0.62015

>  <SCORE.INTRA.POLAR.0>
-0.119223

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.342425

>  <SCORE.INTRA.VDW.0>
0.495046

>  <SCORE.INTRA.norm>
-0.541195

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.1388

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.122646

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 84 87  0  0  0  0  0  0  0  0999 V2000
  190.8559  209.6656  268.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0103  209.8017  267.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9918  210.4820  267.5360 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4658  209.0688  266.5267 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8119  209.0899  265.2172 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.3347  208.0386  264.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1193  208.1833  263.7299 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.1330  207.3360  265.3071 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.9478  207.3949  264.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5870  206.6658  263.7959 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1229  206.8960  262.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0759  205.9261  261.5783 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9944  208.1868  261.8560 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9135  208.4160  260.3745 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.7518  209.9163  260.0157 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.1559  210.3763  260.2721 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3470  209.8994  259.1827 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4735  208.4607  259.5029 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1580  207.8900  259.4695 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.9450  208.2255  258.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8412  207.6310  257.4701 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6714  208.4328  256.2035 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.8506  208.3156  255.2354 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.3259  206.8606  255.0730 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4858  206.0931  256.3905 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2175  206.1827  257.2570 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0774  205.5302  256.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7437  204.6989  256.1891 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3861  206.1549  254.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4101  208.7554  253.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4523  209.8466  256.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9338  210.4012  257.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5289  211.7303  257.6314 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1338  211.2382  261.4075 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8353  210.7141  260.8001 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0468  206.8688  263.7412 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6126  208.0869  263.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9562  209.1042  263.2441 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1109  208.0764  263.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3316  208.8507  265.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9883  208.0337  266.2906 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4606  209.5423  264.6157 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0221  209.5327  264.8497 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.4536  210.5191  265.8698 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.3951  211.9214  265.2779 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.6494  211.9501  263.9230 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.0065  210.8575  263.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0483  209.5676  263.7042 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.7850  209.2236  264.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4132  207.8920  264.6855 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.0948  207.7921  265.3487 C   0  0  2  0  0  0  0  0  0  0  0  0
  180.7788  206.7511  264.6657 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.1751  205.6284  263.7484 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.4220  206.1210  263.0468 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.5581  206.5504  263.9725 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.6400  205.5312  265.0142 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8878  205.1186  262.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.2150  204.3461  264.3510 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.7038  206.2873  265.5075 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0821  209.0916  266.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1142  212.0722  264.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5916  211.4691  265.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7733  212.7981  266.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1521  210.5066  267.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3672  208.6001  266.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1955  208.9652  262.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0391  205.8099  255.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9058  204.3051  257.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3222  206.6817  253.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2232  209.7075  253.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2996  210.3124  255.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2717  211.8719  258.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5681  210.7676  262.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1660  210.7278  261.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6216  206.0357  263.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8285  210.4331  264.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.4058  205.6641  265.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.6497  205.5601  261.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.9188  204.3294  265.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
  179.0429  205.7741  264.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.3439  209.8499  265.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.9751  211.9669  265.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.8596  213.7025  265.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.0884  210.7090  266.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 65  1  0  0  0  0
  5  6  1  6  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 66  1  0  0  0  0
 14 13  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  1  0  0  0
 16 17  1  0  0  0  0
 16 34  1  6  0  0  0
 17 18  1  0  0  0  0
 17 32  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 21 20  1  1  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  1  0  0  0
 23 24  1  0  0  0  0
 23 30  1  6  0  0  0
 24 25  1  0  0  0  0
 24 29  1  6  0  0  0
 25 26  1  0  0  0  0
 25 28  1  6  0  0  0
 26 27  1  6  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 33  1  0  0  0  0
 33 72  1  0  0  0  0
 34 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  1  0  0  0  0
 36 75  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 76  1  0  0  0  0
 43 42  1  6  0  0  0
 43 48  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 64  1  1  0  0  0
 45 46  1  0  0  0  0
 45 63  1  1  0  0  0
 46 47  1  0  0  0  0
 46 61  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  1  0  0  0
 50 49  1  6  0  0  0
 50 55  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 60  1  6  0  0  0
 52 53  1  0  0  0  0
 52 59  1  1  0  0  0
 53 54  1  0  0  0  0
 53 58  1  1  0  0  0
 54 55  1  0  0  0  0
 54 57  1  6  0  0  0
 55 56  1  1  0  0  0
 56 77  1  0  0  0  0
 57 78  1  0  0  0  0
 58 79  1  0  0  0  0
 59 80  1  0  0  0  0
 60 81  1  0  0  0  0
 61 62  1  0  0  0  0
 62 82  1  0  0  0  0
 63 83  1  0  0  0  0
 64 84  1  0  0  0  0
M  END
>  <CHROM.1>
-170.67157209,-63.02531880,-39.29743669,80.36388917,-179.97472282,-62.58060269
55.57097147,-141.68012451,-68.16555838,179.15763101,62.73600409,109.32553153
60.81075829,-63.98882766,165.72999067,-176.88022423,66.90900111,55.08052013
175.27416983,76.16986944,60.64453396,-171.81083535,83.29969834,57.77753257
172.90616648,-30.49286685,-74.87675501,176.02134607,46.42720445,177.13307583
-65.09143056,176.58331801,-60.33445506,62.58340971,190.65997680,208.46001600
262.33141146,-2.68602057,-0.12495046,-1.87901154

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449267/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-42.7155

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365625

>  <SCORE.INTRA>
-66.1155

>  <SCORE.INTRA.DIHEDRAL>
-59.4136

>  <SCORE.INTRA.DIHEDRAL.0>
84.955

>  <SCORE.INTRA.POLAR>
-2.76774

>  <SCORE.INTRA.POLAR.0>
-2.49303

>  <SCORE.INTRA.REPUL>
-0.0397603

>  <SCORE.INTRA.REPUL.0>
0.0397603

>  <SCORE.INTRA.VDW>
-26.7996

>  <SCORE.INTRA.VDW.0>
15.2876

>  <SCORE.INTRA.norm>
-1.03305

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
64

>  <SCORE.norm>
-0.667429

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017737

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 84 87  0  0  0  0  0  0  0  0999 V2000
  221.2795  188.1322  244.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9429  187.4973  244.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1999  187.9232  245.3901 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6310  186.4018  243.7299 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3633  185.7061  243.9229 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.5178  184.4087  244.7697 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.1375  183.7957  245.1506 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.1699  183.7794  243.9267 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2577  184.9048  243.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5457  185.4091  242.6482 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.1338  184.4891  241.6693 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6091  184.2804  240.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1778  185.1502  239.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6022  182.8195  239.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4628  182.5430  238.9544 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.1385  181.0366  238.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8155  180.4400  239.9943 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2713  180.3800  237.7854 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1995  183.2068  239.3113 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1535  183.1553  238.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4583  182.1602  238.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8964  184.4376  237.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2890  182.4596  243.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2530  182.3574  242.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4697  184.2018  246.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3496  185.5906  246.7182 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.8635  185.8726  248.1852 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.3254  185.8949  248.3428 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.5456  186.6000  247.2109 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.1475  186.2860  245.8195 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.5803  186.2945  245.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4995  185.0083  245.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0918  185.1212  245.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1434  187.9954  247.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1354  188.9863  247.5983 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.6049  190.3763  248.0501 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0979  191.2839  246.9342 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.9457  191.1979  245.6533 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.6292  189.8502  245.3678 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0319  189.0852  246.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8292  189.0479  244.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4479  188.9450  244.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8842  192.3052  245.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3001  193.6285  245.6086 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.6473  193.8737  244.2285 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6624  193.5202  243.1471 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.0014  194.2216  243.4067 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.1931  194.8794  244.8361 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2522  194.6361  245.8717 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6356  194.6533  245.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6503  193.3000  245.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3407  191.9257  246.1585 P   0  0  0  0  0  0  0  0  0  0  0  0
  217.2434  191.9197  247.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8418  190.9429  244.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0312  190.5514  246.9506 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1121  195.2754  242.4151 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8222  192.0884  243.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4552  193.0977  244.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6846  191.0970  246.7617 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6591  190.2903  249.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8588  184.5306  248.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4407  184.9885  249.2259 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3420  185.2269  250.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8599  186.2596  251.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8488  184.1122  251.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3044  183.4334  244.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3038  186.0439  243.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.5390  183.6635  242.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6129  180.8500  236.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.0223  179.4023  237.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.9214  183.0904  240.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3593  181.5176  241.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6851  185.2730  245.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3990  188.4826  245.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.2254  191.3864  244.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1036  189.9076  246.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1264  194.8349  241.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4773  191.9061  242.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8211  193.4019  244.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.4950  190.2231  246.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.9071  189.7563  248.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.1697  184.0218  247.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.8000  184.0907  248.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.3892  182.6245  244.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 67  1  0  0  0  0
  5  4  1  6  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 66  1  6  0  0  0
  7  8  1  0  0  0  0
  7 25  1  1  0  0  0
  8  9  1  0  0  0  0
  8 23  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 11 68  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 69  1  0  0  0  0
 18 70  1  0  0  0  0
 19 20  1  0  0  0  0
 19 71  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 72  1  0  0  0  0
 26 25  1  6  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  1  0  0  0
 28 29  1  0  0  0  0
 28 61  1  6  0  0  0
 29 30  1  0  0  0  0
 29 34  1  1  0  0  0
 30 31  1  0  0  0  0
 30 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 73  1  0  0  0  0
 35 34  1  6  0  0  0
 35 40  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 60  1  1  0  0  0
 37 38  1  0  0  0  0
 37 59  1  6  0  0  0
 38 39  1  0  0  0  0
 38 43  1  1  0  0  0
 39 40  1  0  0  0  0
 39 41  1  1  0  0  0
 41 42  1  0  0  0  0
 42 74  1  0  0  0  0
 44 43  1  6  0  0  0
 44 49  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 58  1  6  0  0  0
 46 47  1  0  0  0  0
 46 57  1  1  0  0  0
 47 48  1  0  0  0  0
 47 56  1  6  0  0  0
 48 49  1  0  0  0  0
 48 50  1  1  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 52 55  1  0  0  0  0
 54 75  1  0  0  0  0
 55 76  1  0  0  0  0
 56 77  1  0  0  0  0
 57 78  1  0  0  0  0
 58 79  1  0  0  0  0
 59 80  1  0  0  0  0
 60 81  1  0  0  0  0
 61 82  1  0  0  0  0
 62 63  1  0  0  0  0
 62 83  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 66 84  1  0  0  0  0
M  END
>  <CHROM.1>
-100.10819511,-179.99033378,48.12847033,170.31404345,-170.48225031,42.05374551
152.37330998,-157.72111614,56.74775142,172.92126729,75.95118593,-178.79995798
-169.13683637,167.34239743,-55.77016293,56.97013908,60.17676387,-61.24089435
-166.64757053,-60.64117052,-70.10917860,-64.96640413,-50.83222414,-60.62022587
-67.37375950,63.03158113,179.73434928,-62.49395865,-58.28692984,-150.77120026
86.08603266,-10.76822626,-76.66513250,215.81456481,187.61103028,244.61279220
-0.34220027,1.48526408,-0.75295426

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449268/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.09565

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-34.4957

>  <SCORE.INTRA.DIHEDRAL>
-42.0839

>  <SCORE.INTRA.DIHEDRAL.0>
66.2294

>  <SCORE.INTRA.POLAR>
-1.8568

>  <SCORE.INTRA.POLAR.0>
-2.85446

>  <SCORE.INTRA.REPUL>
0.0222507

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.25183

>  <SCORE.INTRA.VDW.0>
-10.5721

>  <SCORE.INTRA.norm>
-0.522661

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
66

>  <SCORE.norm>
-0.122661

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015495

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  201.9711  223.9722  255.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9664  222.8716  255.1393 N   0  3  2  0  0  0  0  0  0  0  0  0
  200.0408  222.7789  256.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7255  221.8695  257.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4353  220.8385  256.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6982  221.5084  255.1022 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.3100  220.5884  253.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2790  220.0731  253.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0258  219.2143  252.0870 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7349  218.8750  251.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6902  219.3350  252.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9872  220.1994  253.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2602  223.1824  254.0164 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  2   2   1  13  -1
M  END
>  <CHROM.1>
125.46403104,201.00692751,221.25546932,254.43552910,-1.70137748,-1.46823100
-2.46930924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449269/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38715

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.0128501

>  <SCORE.INTRA.DIHEDRAL>
0.00373878

>  <SCORE.INTRA.DIHEDRAL.0>
0.720799

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0147195

>  <SCORE.INTRA.VDW.0>
-0.895714

>  <SCORE.INTRA.norm>
-0.000988472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.491319

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003421

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  217.5447  178.5888  242.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5346  178.1987  243.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3339  179.1479  244.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3861  178.7036  245.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1405  179.5814  245.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2010  179.1223  246.4232 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.6273  177.7054  246.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6329  177.3227  247.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7731  175.8632  247.8163 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1305  175.5038  248.4347 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.8882  174.2257  249.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4901  174.4430  249.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0235  173.8276  250.6684 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7359  175.4935  248.9149 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.4558  174.9374  248.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3444  174.6190  249.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8450  175.8631  250.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7429  175.5603  251.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2523  176.8005  251.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1429  176.4798  252.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6622  177.7022  253.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5712  178.2343  253.4184 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5935  178.1731  254.4165 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6287  176.5346  249.2789 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9272  179.1727  247.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3014  178.9584  254.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8111  177.3345  248.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.1611  180.1019  247.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
-178.66878365,-179.34200982,-179.78280141,-61.99249442,-176.68750269,63.78776133
-139.84614242,61.83069150,-64.57277107,-176.73371179,63.13950668,-179.39481761
179.47349483,179.26661457,179.91057907,110.36574597,-179.23318731,210.02526990
176.91543440,248.75286653,0.26190154,0.60345128,-0.23877416

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449270/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.1472

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.776

>  <SCORE.INTRA>
-4.25279

>  <SCORE.INTRA.DIHEDRAL>
4.6753

>  <SCORE.INTRA.DIHEDRAL.0>
1.68606

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.19043

>  <SCORE.INTRA.VDW.0>
1.04967

>  <SCORE.INTRA.norm>
-0.170111

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.605889

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007933

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  193.8149  220.6941  247.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6107  220.7196  248.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6183  222.0971  248.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3210  220.6027  247.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6627  219.5886  249.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6735  219.5059  250.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6922  218.5289  251.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7214  217.5718  251.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7309  217.6169  250.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6885  218.6268  249.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8345  216.5995  250.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7550  216.6214  249.4949 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7723  215.6426  251.2975 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7697  214.5963  251.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5513  213.5584  250.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0147  212.4703  250.5204 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9927  213.9313  249.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8463  213.0528  247.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7321  211.8221  248.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8147  211.6922  247.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2083  210.8659  248.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6484  218.5856  252.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2179  218.6006  251.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7521  217.3974  253.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8553  219.8785  253.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0142  215.5918  251.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4282  214.8392  248.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.3919  211.1335  249.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
177.03088210,55.24910145,-178.39857433,-74.35931875,-102.58600742,-67.95789517
-99.90456769,-6.57361021,193.73790093,216.74447535,249.92902293,-2.53831193
-0.85971591,2.49104457

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449271/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27952

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-4.12048

>  <SCORE.INTRA.DIHEDRAL>
0.2629

>  <SCORE.INTRA.DIHEDRAL.0>
6.5218

>  <SCORE.INTRA.POLAR>
-0.937837

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.06329

>  <SCORE.INTRA.VDW.0>
4.02223

>  <SCORE.INTRA.norm>
-0.164819

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.331181

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.072258

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  198.4351  207.4781  263.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0267  208.6312  262.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1630  209.9352  262.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7914  211.0249  261.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2772  210.8367  260.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1156  209.5312  260.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5005  208.4358  260.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8897  211.9166  259.8080 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0887  213.2589  260.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7977  213.6908  261.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4820  214.2224  259.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4783  214.3961  257.5875 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.3210  212.8395  256.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5043  211.8633  257.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8330  210.8498  256.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8301  211.2181  255.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1425  212.5003  255.8227 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3722  210.3757  254.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2731  210.7448  253.7355 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7642  209.1196  254.4477 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7371  208.6850  255.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2619  207.5490  255.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2794  209.5933  256.2725 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2251  209.1757  257.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2090  208.1715  253.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5028  211.6851  258.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.8480  213.0872  255.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
6.87093653,-78.67761160,67.71647527,10.75739463,197.39865859,210.82164536
257.96858606,-0.20597661,1.56373312,-3.03856860

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449272/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.24191

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-4.15809

>  <SCORE.INTRA.DIHEDRAL>
-0.602264

>  <SCORE.INTRA.DIHEDRAL.0>
2.14419

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.456953

>  <SCORE.INTRA.VDW.0>
-1.54503

>  <SCORE.INTRA.norm>
-0.166323

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.209677

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  217.7241  188.5940  244.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7159  187.7389  244.8329 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0201  187.8844  244.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0766  187.0269  244.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6712  185.5552  244.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2759  185.3735  245.4934 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.2674  186.3380  244.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7525  183.9220  245.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6415  183.4779  243.9307 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.7718  182.9083  243.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6378  182.0401  243.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7121  181.4235  243.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9554  181.6770  241.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1095  182.5303  241.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0108  183.1238  241.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9345  184.1599  240.9387 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.4128  183.9624  241.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2038  184.0845  241.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9884  183.9089  241.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9765  183.6257  243.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1792  183.5227  243.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4221  183.6922  243.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-59.56249998,86.89152960,218.85398263,184.45158909,243.27652612,1.84453979
-0.23699078,0.53753569

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449273/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.72301

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-0.676987

>  <SCORE.INTRA.DIHEDRAL>
0.163088

>  <SCORE.INTRA.DIHEDRAL.0>
2.42288

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.758531

>  <SCORE.INTRA.VDW.0>
-1.52104

>  <SCORE.INTRA.norm>
-0.0307721

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.305592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000398

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  192.7242  210.0134  253.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6249  211.1338  254.5172 Sb  0  0  0  0  0  0  0  0  0  0  0  0
  191.5462  209.9959  255.9264 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2014  212.1168  255.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3740  213.6436  256.3650 Sb  0  0  0  0  0  0  0  0  0  0  0  0
  191.3593  214.1290  254.9433 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0595  212.5687  256.9996 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <CHROM.1>
175.52737243,-49.75612074,191.99416172,212.23440022,255.42117594,-1.90350284
1.20317508,0.87892889

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449274/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86711

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.532886

>  <SCORE.INTRA.DIHEDRAL>
-0.0555478

>  <SCORE.INTRA.DIHEDRAL.0>
0.402646

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.505112

>  <SCORE.INTRA.VDW.0>
-0.149035

>  <SCORE.INTRA.norm>
-0.0761265

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.981016

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046189

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  194.0167  205.1436  250.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3172  204.5731  250.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7212  203.9450  251.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4635  202.7866  251.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0312  202.0908  252.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8966  202.5430  254.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0181  203.6332  254.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4808  204.3594  253.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5614  201.8611  255.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6111  202.3352  256.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9482  201.4168  257.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5093  201.6774  258.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0628  200.9904  259.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0403  200.0258  259.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4044  199.6896  258.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8274  200.3541  257.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2416  199.9990  255.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3796  200.6288  254.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6924  203.8295  256.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0035  204.4432  257.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6374  204.6403  255.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5906  206.0182  256.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4837  206.8552  255.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4560  206.3396  254.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4970  204.9709  254.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5529  204.1328  254.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3992  207.0915  253.8899 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8075  208.1430  253.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0688  207.6531  251.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9437  206.7760  252.2644 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5392  205.8209  251.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5583  206.5841  250.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7806  207.3849  251.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7349  207.5573  252.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
141.59754200,171.30921961,133.97440481,176.42176804,-54.68069328,-71.58984619
62.30643403,-155.22894273,198.06067450,204.09211657,254.48085150,1.66111103
-0.71706289,-0.78592288

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449275/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.43812

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394118

>  <SCORE.INTRA>
-4.96188

>  <SCORE.INTRA.DIHEDRAL>
4.28692

>  <SCORE.INTRA.DIHEDRAL.0>
10.0166

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.10534

>  <SCORE.INTRA.VDW.0>
3.7979

>  <SCORE.INTRA.norm>
-0.145938

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.24818

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003729

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  213.0475  186.8658  244.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1327  185.5419  244.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2434  184.8319  245.0634 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3246  185.4587  245.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3152  184.8619  246.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2398  186.8248  245.7861 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1777  187.5905  245.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1449  188.8075  245.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3321  183.3878  244.9208 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7016  182.5581  246.0539 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.5798  181.1958  245.3691 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.2363  181.5857  243.9180 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7041  182.9404  243.7042 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8169  180.6790  242.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2357  180.7486  242.8008 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9376  179.3840  242.0023 P   0  0  0  0  0  0  0  0  0  0  0  0
  217.3478  179.9493  242.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7350  178.4724  243.3354 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6397  178.0192  241.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7894  180.4494  245.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4051  183.0325  246.4447 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0206  187.2991  246.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7008  179.0668  244.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.4448  177.8374  241.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.0124  180.2827  246.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4905  183.9379  246.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9  3  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  6  0  0  0
 11 12  1  0  0  0  0
 11 20  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <CHROM.1>
-84.73762800,-62.28908279,60.74508845,-65.67165015,160.43973977,176.78261912
-24.47218041,-28.21577600,214.70759209,182.68545953,244.27931095,-1.83607344
-0.63969478,-2.90408562

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449276/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.66057

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-4.73943

>  <SCORE.INTRA.DIHEDRAL>
-0.967015

>  <SCORE.INTRA.DIHEDRAL.0>
8.11783

>  <SCORE.INTRA.POLAR>
-0.999991

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.85595

>  <SCORE.INTRA.VDW.0>
-1.73106

>  <SCORE.INTRA.norm>
-0.225687

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.221932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020090

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  199.3654  216.5923  265.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4840  216.6433  263.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2271  216.5734  263.1984 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.3197  216.4688  264.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9956  216.4749  265.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9232  216.6072  261.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9506  216.7183  260.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6538  216.7435  259.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3291  216.6686  259.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2979  216.5636  259.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5927  216.5283  261.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9291  216.7065  257.2233 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
0.14730841,197.62727803,216.63680483,260.43950205,-1.35648809,-0.07158571
-1.53342759

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449277/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38949

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0105095

>  <SCORE.INTRA.DIHEDRAL>
-0.0267697

>  <SCORE.INTRA.DIHEDRAL.0>
0.0268231

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00287536

>  <SCORE.INTRA.VDW.0>
0.201888

>  <SCORE.INTRA.norm>
-0.00087579

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.532458

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001496

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 25  0  0  0  0  0  0  0  0999 V2000
  219.7783  189.2173  240.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4074  187.8506  241.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7613  186.9892  240.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9069  187.5766  239.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6575  189.0477  239.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5293  189.6412  238.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2625  191.0001  238.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1175  191.7809  239.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2578  191.2110  240.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5389  189.8522  240.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1655  186.8459  238.2806 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.2512  185.5931  238.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4348  184.4906  238.7908 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.0571  185.5029  240.1777 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.5495  184.9178  241.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3090  184.2304  242.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5655  183.8033  243.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2235  184.1530  243.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9606  184.9858  242.0269 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.3849  185.0487  237.0354 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6964  185.6459  236.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4246  184.0458  236.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-122.72308382,217.91029200,186.85662089,240.18186266,-1.85515907,1.28352034
3.07992620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449278/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3743

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-0.0257014

>  <SCORE.INTRA.DIHEDRAL>
-0.0537984

>  <SCORE.INTRA.DIHEDRAL.0>
0.329024

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00119783

>  <SCORE.INTRA.VDW.0>
-1.81755

>  <SCORE.INTRA.norm>
-0.00128507

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.318715

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  194.4900  220.4138  247.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0630  221.8765  248.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0043  222.8294  246.7530 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.5483  224.2676  247.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0597  224.4016  247.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5411  224.3510  248.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0799  223.2691  249.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4084  221.6496  248.8403 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.5357  225.4067  247.8991 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.1362  226.7217  247.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4727  225.2070  249.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2077  225.1672  247.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4084  225.0526  245.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6168  224.5535  245.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6569  224.2243  246.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4930  224.4225  247.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2953  224.9568  248.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7660  223.6671  245.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9851  224.3567  246.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1546  222.2302  245.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2460  221.3932  245.6823 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4976  222.6537  244.2881 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2249  224.0311  244.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1818  222.2170  249.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2911  222.2740  243.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4008  224.4698  244.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  6  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
24.92492445,152.32392645,45.28901872,124.24093054,-67.95928089,35.32451189
194.82374523,223.70148888,247.16747154,-3.10023655,0.33594350,0.78653753

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449279/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.96942

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-5.43058

>  <SCORE.INTRA.DIHEDRAL>
3.19489

>  <SCORE.INTRA.DIHEDRAL.0>
4.32366

>  <SCORE.INTRA.POLAR>
-0.946961

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.80835

>  <SCORE.INTRA.VDW.0>
0.207053

>  <SCORE.INTRA.norm>
-0.226274

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.207059

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.063360

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  198.2419  216.6625  254.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8740  216.0784  255.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1723  215.2417  255.3083 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.6785  214.7659  256.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8052  214.0840  254.4887 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9267  214.0087  253.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4052  214.8802  252.3108 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4913  212.9026  252.5799 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4800  216.3507  254.6463 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.0784  215.0822  254.2554 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.2880  215.6642  254.7970 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6809  213.7237  254.5295 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2645  215.1982  252.6581 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3964  214.8222  252.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8691  214.8661  251.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.2777  212.4339  252.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0142  212.2634  253.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0525  214.6706  252.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <CHROM.1>
178.71753937,95.53000831,-174.88188323,89.06152034,-116.70415357,-132.75754345
175.79965279,201.22968990,215.07496341,254.24219474,-3.12299261,-0.02685710
-2.22359857

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449281/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.18494

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.876923

>  <SCORE.INTRA>
-6.21506

>  <SCORE.INTRA.DIHEDRAL>
-1.26132

>  <SCORE.INTRA.DIHEDRAL.0>
4.41441

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.1844

>  <SCORE.INTRA.VDW.0>
-0.501728

>  <SCORE.INTRA.norm>
-0.478082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.398841

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010493

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  215.0966  184.0536  245.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5889  183.9123  246.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8044  184.9711  245.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0850  182.5160  245.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4285  184.1216  247.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7238  183.2040  248.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5781  183.7819  249.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8180  183.0983  251.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7186  183.6901  252.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1392  182.6577  253.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6744  184.8987  252.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2800  184.1983  252.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1753  181.7970  250.9054 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.1722  185.1798  249.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0642  185.3738  248.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  1  13  -1
M  END
>  <CHROM.1>
-76.97816696,-176.61538732,213.63443335,183.80653522,249.37391430,-1.68911382
-1.27869894,1.53171002

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449299/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.30922

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.0907772

>  <SCORE.INTRA.DIHEDRAL>
0.030657

>  <SCORE.INTRA.DIHEDRAL.0>
2.3441

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.106106

>  <SCORE.INTRA.VDW.0>
2.95854

>  <SCORE.INTRA.norm>
-0.00605181

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.487282

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  202.6390  180.0705  250.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3415  180.9694  249.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3817  181.8221  248.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9706  182.6346  247.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1768  183.4763  246.9045 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0288  183.9625  245.9668 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3394  183.6159  246.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2918  182.6882  247.2431 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5757  184.1898  245.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7789  183.4799  245.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9583  183.9818  245.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9583  185.2079  244.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7646  185.9370  244.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5967  185.4465  245.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2053  185.7545  243.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2857  184.9316  244.0831 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.0397  185.9738  242.6371 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.5877  186.9496  244.5001 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.5382  184.6205  244.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2829  184.6015  243.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8181  185.2573  242.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5959  185.9267  242.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8461  185.9395  243.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3019  185.2734  244.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0693  186.5804  241.3425 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6582  186.6640  240.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7359  186.1744  239.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8362  187.4290  239.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6249  188.9094  239.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9376  189.6954  239.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6354  189.5340  238.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1526  186.9940  241.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.94373953,179.52969534,-152.20934311,-159.83096325,1.69597841,-0.26794471
63.64501046,65.65142557,204.16254158,185.12353973,244.07200033,1.13213013
0.07795761,2.20804920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449300/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.8312

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-1.56879

>  <SCORE.INTRA.DIHEDRAL>
-4.5198

>  <SCORE.INTRA.DIHEDRAL.0>
10.4138

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.691108

>  <SCORE.INTRA.VDW.0>
-2.01464

>  <SCORE.INTRA.norm>
-0.0506061

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.381652

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001559

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  216.7198  177.6828  242.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0859  178.9017  242.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7770  178.9119  241.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1075  177.7063  241.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7371  176.4893  241.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0556  176.4659  242.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7627  175.1571  242.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2282  174.5296  243.8404 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4789  175.3925  244.9917 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8241  177.6637  241.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9307  180.5714  241.5589 Br  0  0  0  0  0  0  0  0  0  0  0  0
  216.3325  174.7363  245.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.6476  175.9857  244.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4197  178.5280  241.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <CHROM.1>
-20.81205389,108.73096336,-62.32714605,-163.14229044,214.89277321,178.18486069
242.23652711,-1.06570524,-0.54021257,-0.11307057

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449302/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.9964

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-0.403598

>  <SCORE.INTRA.DIHEDRAL>
0.43832

>  <SCORE.INTRA.DIHEDRAL.0>
1.13896

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.622758

>  <SCORE.INTRA.VDW.0>
0.360979

>  <SCORE.INTRA.norm>
-0.0366907

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.726946

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 72 76  0  0  0  0  0  0  0  0999 V2000
  194.9467  209.2582  247.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9567  209.9734  248.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9474  209.2204  249.9310 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4040  208.2231  250.3342 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3070  208.8553  249.3384 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5806  210.0580  250.3093 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8018  209.5700  250.8790 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.7787  208.3771  251.4652 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4742  211.1210  251.0012 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.8468  212.4745  250.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2639  213.9281  250.6646 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.7341  214.5471  250.1403 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.3081  214.1830  250.8168 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2972  213.2675  249.9865 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1791  212.4437  250.7875 C   0  0  1  0  0  0  0  0  0  0  0  0
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  192.3012  210.1489  250.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5492  210.3384  250.8208 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6281  213.0604  252.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9479  213.7842  248.6425 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9025  215.1536  248.1910 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1420  215.4018  246.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6762  214.8885  246.8305 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.9813  215.5014  248.1110 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8864  215.5794  249.3557 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2420  215.9792  249.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4689  216.4708  250.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2481  216.7677  247.9996 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8685  217.9024  247.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0230  218.0401  247.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9368  218.9039  247.6035 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5740  219.6677  248.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9237  218.7429  249.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8338  217.9421  249.2056 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0446  217.2530  250.2424 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.5966  217.0263  249.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6883  215.9355  250.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8992  215.6735  252.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6952  214.6080  252.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2447  213.7438  251.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
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  188.1994  215.0127  249.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9073  215.2455  248.4291 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7647  214.0922  247.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8182  213.3365  246.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7413  215.2563  245.7967 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0159  215.1445  244.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5383  213.8118  252.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7270  216.0298  250.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4582  216.6612  248.7783 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.0342  218.1369  249.0301 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.2765  219.0324  249.3172 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2750  218.8651  248.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6520  217.3943  248.0323 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4985  216.5918  247.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6056  217.1312  246.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0530  220.4770  249.6071 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1444  221.1548  248.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6104  220.7077  250.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0898  218.1768  250.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3560  214.9322  250.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3791  214.0110  252.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9424  211.4643  252.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8460  211.2410  250.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2130  207.7585  248.9100 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9712  206.7705  250.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8259  219.3637  246.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.2441  217.2272  248.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3231  217.6618  249.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.1089  214.8772  252.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0178  208.1694  248.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7715  207.1095  248.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 66  1  6  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 20  1  6  0  0  0
 15 16  1  0  0  0  0
 15 19  1  1  0  0  0
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 16 18  1  0  0  0  0
 21 20  1  1  0  0  0
 21 26  1  0  0  0  0
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 23 45  1  1  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  6  0  0  0
 25 26  1  0  0  0  0
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 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 46 47  1  0  0  0  0
 50 49  1  1  0  0  0
 50 55  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 60  1  1  0  0  0
 52 53  1  0  0  0  0
 52 57  1  6  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  1  6  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
 60 69  1  0  0  0  0
 62 70  1  0  0  0  0
 65 71  1  0  0  0  0
 65 72  1  0  0  0  0
M  END
>  <CHROM.1>
65.10930304,-165.41921795,175.30915113,119.82350637,-28.56381890,-165.39483524
49.63282577,-62.46533376,-1.13840322,86.54329891,-63.88425256,-50.85729246
-168.99453529,151.91981767,128.52684782,-147.88581697,161.12877102,-62.39642537
-47.09310151,193.87318779,214.51857741,249.46759409,0.63559040,0.04439492
2.98346713

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449303/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.619693

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.339394

>  <SCORE.INTRA>
-23.0197

>  <SCORE.INTRA.DIHEDRAL>
-6.04574

>  <SCORE.INTRA.DIHEDRAL.0>
26.6113

>  <SCORE.INTRA.POLAR>
-2.07386

>  <SCORE.INTRA.POLAR.0>
-0.244376

>  <SCORE.INTRA.REPUL>
0.0291178

>  <SCORE.INTRA.REPUL.0>
0.00032094

>  <SCORE.INTRA.VDW>
-13.0913

>  <SCORE.INTRA.VDW.0>
3.20185

>  <SCORE.INTRA.norm>
-0.348783

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
66

>  <SCORE.norm>
-0.00938928

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.108290

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  214.1441  194.2894  245.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8772  193.8801  246.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8499  192.9222  246.6000 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1176  192.3029  245.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8996  191.3632  245.3303 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3921  192.7517  244.3455 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3479  193.6310  244.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5468  193.7881  243.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4665  194.3324  248.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6665  195.2937  248.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2981  193.9241  249.0665 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.3933  192.6610  247.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5151  192.2511  243.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1  11  -1
M  END
>  <CHROM.1>
-15.92735032,214.97718609,193.48233555,246.15655971,1.80280754,-0.71638412
1.29562313

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449304/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.94594

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-2.45406

>  <SCORE.INTRA.DIHEDRAL>
-5.53996

>  <SCORE.INTRA.DIHEDRAL.0>
5.99475

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.315918

>  <SCORE.INTRA.VDW.0>
-0.211706

>  <SCORE.INTRA.norm>
-0.223097

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.358722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001450

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  193.5879  224.0095  267.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2303  223.4188  265.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0051  223.6352  264.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1497  224.4460  264.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5012  225.0300  266.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7271  224.8112  267.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0220  224.6355  263.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0430  223.6334  263.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8349  223.7762  262.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7572  224.6854  261.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7988  222.8106  262.3252 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8730  222.7622  261.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3164  222.7765  259.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0271  224.0985  259.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8313  223.9617  261.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0323  223.8018  261.7526 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2644  225.2124  261.4347 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0217  226.4283  261.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7634  227.4461  260.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9795  228.6508  260.7038 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2642  226.9442  259.4100 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7397  222.0648  263.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3372  224.4738  259.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2643  225.3364  261.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0885  225.9607  259.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0905  227.5940  258.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  6  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <CHROM.1>
-87.41933498,179.59144146,1.93991631,-54.19053335,83.27527506,121.18482986
-62.17198842,132.95295630,160.28623127,198.10972121,224.64350541,262.57157863
3.10884999,-0.72295899,-2.91200015

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449305/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.193117

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.638095

>  <SCORE.INTRA>
-13.2069

>  <SCORE.INTRA.DIHEDRAL>
-13.275

>  <SCORE.INTRA.DIHEDRAL.0>
20.316

>  <SCORE.INTRA.POLAR>
-2.22892

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.00896

>  <SCORE.INTRA.VDW.0>
-0.986984

>  <SCORE.INTRA.norm>
-0.628899

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.00919606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.042751

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  201.7614  204.5715  254.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1828  205.4197  255.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2973  206.1222  256.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7196  206.9840  257.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8411  207.6389  258.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2652  208.4356  259.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3867  208.9519  260.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8122  209.5440  261.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9263  209.7952  262.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3722  209.8920  264.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6203  208.6743  264.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9531  207.5978  264.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1753  206.3427  265.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6090  205.7281  264.0958 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4992  205.3417  263.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7116  205.2916  263.3458 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8284  204.9477  261.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4204  204.8981  261.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7186  204.4190  260.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3981  204.0760  259.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7901  204.1724  259.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5264  204.6130  260.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0337  204.6101  260.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5531  204.4229  259.3238 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.5578  205.8025  260.9639 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.6240  203.6638  261.3396 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.45891565,177.80091337,-176.76354385,173.20715650,-170.46277179,168.26419436
-159.22215752,56.61452314,-165.35028409,-77.36349850,60.08524935,11.76891025
-6.33746320,-172.37281212,202.03510259,206.18093381,260.89420220,-1.77147905
1.06466741,1.37279119

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449306/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.5794

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.746154

>  <SCORE.INTRA>
-5.82056

>  <SCORE.INTRA.DIHEDRAL>
-1.93562

>  <SCORE.INTRA.DIHEDRAL.0>
6.58402

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.85275

>  <SCORE.INTRA.VDW.0>
0.750337

>  <SCORE.INTRA.norm>
-0.223868

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.522286

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.058079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  178.5564  214.3575  251.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3827  213.4937  252.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4983  212.7677  253.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4906  213.1493  254.6196 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.4505  212.5953  255.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3222  211.8183  255.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3301  213.0338  256.6615 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.5905  213.6725  256.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.9756  212.6939  257.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
118.94769211,-179.18621187,0.54766192,179.75538785,213.01655082,254.22510278
2.24866173,0.75345011,-1.74081188

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449307/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.90167

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-3.49833

>  <SCORE.INTRA.DIHEDRAL>
-7.18973

>  <SCORE.INTRA.DIHEDRAL.0>
7.19638

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.096532

>  <SCORE.INTRA.VDW.0>
0.204852

>  <SCORE.INTRA.norm>
-0.499762

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.700238

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009793

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  209.8366  188.8947  245.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3976  188.3683  245.8414 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.0119  187.9555  247.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6317  189.1484  248.1335 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5550  189.9902  247.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9580  190.4301  246.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3999  189.2636  245.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2765  188.4432  244.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0700  191.5072  246.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7488  191.1664  245.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0952  188.6607  249.3827 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9364  189.6007  250.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2552  190.7832  250.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2923  189.0096  251.6130 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7919  188.8494  251.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9344  189.3850  252.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5532  189.1948  252.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0126  188.4684  251.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8498  187.9382  250.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2302  188.1277  250.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8440  187.7211  251.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7745  187.2066  251.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  6  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
168.59693261,-2.80885776,-79.10675769,-127.43036708,-51.64121299,206.25211761
189.19196280,248.69457813,-1.01065193,-0.04129677,1.73896994

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449308/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.95063

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.44937

>  <SCORE.INTRA.DIHEDRAL>
-4.4988

>  <SCORE.INTRA.DIHEDRAL.0>
7.3245

>  <SCORE.INTRA.POLAR>
-0.0925778

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.114795

>  <SCORE.INTRA.VDW.0>
-1.25838

>  <SCORE.INTRA.norm>
-0.116637

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.330982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013989

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  174.5296  220.0782  258.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.9385  219.7829  259.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.3667  218.4635  259.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6725  218.1779  259.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5876  219.1879  259.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1265  220.5113  259.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.8298  220.8057  259.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9354  218.9135  260.3300 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.1319  218.8109  261.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6705  218.9776  261.9047 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.9212  219.9033  260.7877 N   0  3  0  0  0  0  0  0  0  0  0  0
  181.1243  219.5303  259.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4275  220.0123  258.1795 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.8999  221.0252  258.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7059  221.9731  259.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9772  221.3672  260.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3204  219.2837  263.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5784  219.9223  263.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3167  219.9779  264.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8173  219.3814  265.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5683  218.7672  265.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8196  218.7316  264.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7705  219.3503  267.0543 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  182.3006  217.7457  261.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.2509  217.9253  261.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 24  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  1  11   1
M  END
>  <CHROM.1>
-94.73081517,-155.95399578,169.35423878,181.01456865,219.61544593,261.53140162
2.37587061,-0.20469447,-1.30322285

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449309/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.34957

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-3.05043

>  <SCORE.INTRA.DIHEDRAL>
-1.69939

>  <SCORE.INTRA.DIHEDRAL.0>
3.2792

>  <SCORE.INTRA.POLAR>
0.0304054

>  <SCORE.INTRA.POLAR.0>
-0.0304054

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.30411

>  <SCORE.INTRA.VDW.0>
0.353876

>  <SCORE.INTRA.norm>
-0.127101

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.181232

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000554

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  214.3772  181.0101  243.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5666  180.5168  244.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8770  180.8238  245.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1012  181.5910  246.1927 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9519  182.0542  245.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5509  181.7847  244.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9367  183.0691  246.6958 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.1338  180.2962  245.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9435  179.5932  245.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2541  180.6987  247.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3869  184.2293  246.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4765  181.2573  247.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
-0.07772953,97.72411522,-0.40948088,215.14350128,181.36700834,245.65471054
2.89883906,-0.51259960,1.20190169

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449310/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35575

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.0442463

>  <SCORE.INTRA.DIHEDRAL>
-0.0443566

>  <SCORE.INTRA.DIHEDRAL.0>
2.01956

>  <SCORE.INTRA.POLAR>
2.81502e-05

>  <SCORE.INTRA.POLAR.0>
-0.39851

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0221637

>  <SCORE.INTRA.VDW.0>
0.566188

>  <SCORE.INTRA.norm>
-0.00442463

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.735575

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006407

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  217.4667  178.0119  246.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5217  178.7730  246.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8685  179.9866  247.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1756  177.8997  248.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0071  176.7380  247.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1430  176.9660  247.0237 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3517  175.6431  247.4185 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  CHG  1   7  -1
M  END
>  <CHROM.1>
65.36735423,75.95022544,219.08091356,177.69636165,247.21804627,2.31449203
-0.33130053,0.21261607

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449311/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.58064

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.819356

>  <SCORE.INTRA.DIHEDRAL>
-0.683686

>  <SCORE.INTRA.DIHEDRAL.0>
1.81373

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.477513

>  <SCORE.INTRA.VDW.0>
0.0726453

>  <SCORE.INTRA.norm>
-0.117051

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.940092

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041513

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  209.0556  193.8044  250.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0599  192.2853  250.2298 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.2651  191.6988  251.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4575  190.2404  251.5508 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6369  189.6483  251.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5998  190.4033  250.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4389  191.7803  250.2715 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8452  189.6902  250.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7079  190.3542  249.4303 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9400  188.3215  250.1671 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9559  187.7103  250.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8324  188.3023  251.2008 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9748  186.3642  250.9028 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6304  189.6723  251.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0670  192.0864  249.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0772  187.7541  251.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0384  186.1278  251.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.2129  185.8685  250.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <CHROM.1>
112.66624712,210.28190378,190.04069216,250.59674426,-2.03077282,-0.43653299
2.92486677

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449312/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.33285

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.06715

>  <SCORE.INTRA.DIHEDRAL>
-0.00649102

>  <SCORE.INTRA.DIHEDRAL.0>
0.484811

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0639045

>  <SCORE.INTRA.VDW.0>
-0.184458

>  <SCORE.INTRA.norm>
-0.00516538

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.487142

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000352

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  214.9100  186.6445  243.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6561  187.4649  243.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5317  187.0593  242.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3300  187.7613  242.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1887  188.8288  243.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3431  189.2722  244.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5689  188.6140  244.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8504  189.3923  244.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5792  188.8318  244.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7338  189.7983  244.7079 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4068  190.9270  244.8388 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6344  190.7648  244.2715 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4974  191.8689  244.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6905  191.6906  243.4598 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2432  192.9686  243.4164 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3786  193.9098  243.9651 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2950  193.2274  244.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2463  193.7744  244.9740 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0829  187.4565  243.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8088  186.5710  243.5424 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7202  187.3170  244.2351 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9578  186.1286  243.9679 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0514  185.4559  242.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9119  186.0144  241.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7254  187.4685  241.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9778  188.3115  241.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9142  189.6416  241.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0088  190.4936  241.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1895  190.0224  240.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2808  188.6950  240.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1856  187.8421  240.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3999  183.9862  242.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3680  193.2800  245.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.1969  194.7823  245.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1754  188.1315  244.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9735  186.3176  244.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
40.02270307,-0.88130093,2.29766749,-46.92102593,-51.94216082,84.41478677
-145.80742277,209.40150245,189.02259944,243.18916182,-0.79811087,0.12952068
-2.98178286

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449313/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.63666

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-16.0367

>  <SCORE.INTRA.DIHEDRAL>
-23.0147

>  <SCORE.INTRA.DIHEDRAL.0>
31.8658

>  <SCORE.INTRA.POLAR>
-0.140855

>  <SCORE.INTRA.POLAR.0>
-0.0938354

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.05039

>  <SCORE.INTRA.VDW.0>
-4.41374

>  <SCORE.INTRA.norm>
-0.501146

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
-0.113646

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000105

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 18  0  0  0  0  0  0  0  0999 V2000
  191.7228  216.9801  247.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8440  217.5872  247.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8575  217.2890  245.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8536  217.7845  244.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8634  218.5798  245.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8709  218.8806  246.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8656  218.4024  247.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9070  218.7967  249.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0718  218.4910  250.0882 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6139  219.0973  251.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1965  219.1102  252.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9690  219.8287  253.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1220  220.5166  253.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5505  220.5099  251.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7610  219.7825  250.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9551  219.6002  249.4922 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
0.38307699,193.93144012,218.82119143,249.20323204,1.72388899,-0.58724664
-1.80222508

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449314/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.14968

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.25032

>  <SCORE.INTRA.DIHEDRAL>
-3.47459

>  <SCORE.INTRA.DIHEDRAL.0>
3.47713

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.486976

>  <SCORE.INTRA.VDW.0>
-0.494486

>  <SCORE.INTRA.norm>
-0.0781449

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.321855

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004488

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 29  0  0  0  0  0  0  0  0999 V2000
  205.7502  183.6835  239.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7479  184.6104  240.1480 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3488  185.9163  240.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1298  186.9023  239.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8474  188.2638  239.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7570  188.6325  240.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9647  187.6482  241.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2703  186.2988  241.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5155  190.0494  241.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4436  190.9759  240.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3318  192.4022  241.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5086  192.8045  242.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5231  194.1364  242.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2936  195.0680  241.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1096  194.7278  240.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1578  193.3807  240.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0951  192.9562  239.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6609  191.5799  239.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5742  190.6359  239.9665 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7158  189.3445  239.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1716  196.3110  242.4463 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3038  196.0324  243.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8167  194.6755  243.5886 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2197  186.4478  238.9478 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1287  186.4296  237.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-129.49504217,105.01100625,206.55546914,190.35604813,240.71272800,1.47202820
-0.76671160,-2.93374244

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449315/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95543

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.296

>  <SCORE.INTRA>
-1.44457

>  <SCORE.INTRA.DIHEDRAL>
4.30422

>  <SCORE.INTRA.DIHEDRAL.0>
3.27572

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.59668

>  <SCORE.INTRA.VDW.0>
3.8469

>  <SCORE.INTRA.norm>
-0.0577828

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.238217

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000120

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  205.3260  202.5837  247.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6013  203.1712  245.7567 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0054  204.6493  245.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5843  205.1547  244.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9955  204.3342  243.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9432  202.8392  243.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6656  202.4363  245.1643 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4564  204.9253  242.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5505  206.2739  242.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1011  207.1156  243.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0953  208.4458  243.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5572  209.1353  242.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5734  210.3654  241.9858 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0199  208.3379  240.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0217  206.9814  240.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5529  206.2981  239.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1927  205.2601  239.6435 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2947  206.9401  238.5049 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4355  209.1089  239.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6245  206.5219  244.4666 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7263  204.0437  241.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4192  203.0341  244.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6639  206.4763  237.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.3949  208.4967  239.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5686  204.2003  240.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.2800  202.0786  244.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4 20  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <CHROM.1>
-64.87301543,-132.71144863,-160.12325819,-33.10292928,179.19194218,207.16701611
205.77467559,242.74517489,2.47951705,-1.14965384,-3.09706484

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449316/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.65911

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-3.74089

>  <SCORE.INTRA.DIHEDRAL>
1.35013

>  <SCORE.INTRA.DIHEDRAL.0>
6.02

>  <SCORE.INTRA.POLAR>
-0.410224

>  <SCORE.INTRA.POLAR.0>
-0.76845

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.02119

>  <SCORE.INTRA.VDW.0>
3.98018

>  <SCORE.INTRA.norm>
-0.17004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.120869

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000998

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  205.0814  184.9599  247.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8930  183.7525  246.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3136  182.7976  247.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0787  181.7281  247.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4329  181.5410  245.9932 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0203  182.4755  245.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2617  183.5781  245.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0287  182.8716  249.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7723  183.9486  249.8589 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1375  183.8804  250.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8214  182.9246  249.6946 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7698  185.0676  250.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1588  185.0837  250.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7764  186.1830  251.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0072  187.2633  251.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6213  187.2428  251.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0008  186.1469  251.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3159  184.8478  249.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-69.57638417,-71.67134797,-178.19136951,207.69599025,184.18263725,248.95210554
2.11440151,0.53905254,-2.47451739

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449317/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.84085

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-1.55915

>  <SCORE.INTRA.DIHEDRAL>
-2.85724

>  <SCORE.INTRA.DIHEDRAL.0>
4.39642

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.130536

>  <SCORE.INTRA.VDW.0>
-0.977417

>  <SCORE.INTRA.norm>
-0.091715

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.402403

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002721

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 46  0  0  0  0  0  0  0  0999 V2000
  186.8457  211.8260  256.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2791  213.2901  256.6033 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.1967  214.2979  256.1898 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.2343  214.6377  257.3464 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.0237  214.9439  258.6319 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.0010  213.7909  258.9462 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8789  213.6212  257.8425 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.7595  214.1774  260.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9828  214.2202  261.3181 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.5339  212.8292  261.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6995  211.7229  261.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0225  212.0214  262.5075 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.7661  213.4831  262.8366 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.8592  214.6493  262.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5750  213.8078  264.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7545  214.0723  263.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7033  212.9271  263.2063 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.8647  212.0759  262.0856 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.4997  212.7002  260.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4250  214.0913  260.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9868  214.9067  261.9782 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.0576  213.7927  263.0977 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2613  214.6562  264.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4979  215.9927  264.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3486  216.2967  262.7384 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.9906  217.0209  262.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1272  216.7058  261.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8944  217.5272  261.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9676  217.5444  260.7281 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0283  218.2818  262.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3089  218.0256  263.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1789  212.9441  262.9893 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3887  215.4883  261.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8398  211.1372  263.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7623  216.1718  258.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4092  215.7368  256.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3298  216.0519  257.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4678  213.7884  255.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1166  212.4174  262.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2236  216.3060  259.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.7993  214.4552  254.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  6  0  0  0
  4  5  1  0  0  0  0
  4 36  1  6  0  0  0
  5  6  1  0  0  0  0
  5 35  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  1  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  6  0  0  0
 22 23  1  0  0  0  0
 22 32  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 39  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  1  0  0  0  0
 38 41  1  0  0  0  0
M  END
>  <CHROM.1>
-179.59723169,170.98496938,179.28190100,69.09418852,68.28201530,62.43964481
-5.05577051,189.06125639,214.51750577,260.81407859,-3.01814968,-0.71331610
0.16670298

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449318/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.5583

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.247368

>  <SCORE.INTRA>
-7.8417

>  <SCORE.INTRA.DIHEDRAL>
-6.1292

>  <SCORE.INTRA.DIHEDRAL.0>
7.78694

>  <SCORE.INTRA.POLAR>
-0.735056

>  <SCORE.INTRA.POLAR.0>
-0.287516

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27791

>  <SCORE.INTRA.VDW.0>
-1.14152

>  <SCORE.INTRA.norm>
-0.206361

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.0410079

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022820

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  199.2379  212.9718  254.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0595  213.8976  255.4658 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5014  215.1261  255.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6250  215.6144  256.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0722  216.8513  257.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4173  217.6336  256.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3278  217.1502  255.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8639  215.9043  254.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8391  218.9311  256.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2177  219.7074  255.8396 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8438  220.8054  256.5266 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2373  220.7928  257.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8590  219.5683  258.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0514  221.8750  258.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4806  222.9262  258.4906 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5754  221.6406  260.0444 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4115  222.6061  261.0658 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0745  221.8392  255.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9066  222.8404  255.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8891  223.5326  255.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6817  224.0585  256.5652 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8312  220.6915  260.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3260  223.0605  261.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2394  222.1114  261.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <CHROM.1>
132.89760791,179.35118606,-83.61141850,1.87829254,-106.36974894,-58.30178567
198.00183829,219.36601014,256.86097686,0.48103773,1.28844660,-1.76717506

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449319/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.56757

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-3.83243

>  <SCORE.INTRA.DIHEDRAL>
-4.49077

>  <SCORE.INTRA.DIHEDRAL.0>
9.74843

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.58705

>  <SCORE.INTRA.VDW.0>
0.747469

>  <SCORE.INTRA.norm>
-0.182497

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.36036

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000442

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  186.0656  207.4451  251.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0217  208.1007  252.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3696  209.2534  251.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4236  209.8985  252.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1330  209.3842  253.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7626  208.2290  254.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7088  207.5913  253.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0144  210.2476  254.6752 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.0229  210.8873  253.8307 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.6254  209.2784  255.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.9028  211.4299  255.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6805  211.1103  256.5271 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.1218  212.4251  257.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6713  212.4719  257.3411 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.1619  211.2317  258.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9607  211.2945  259.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6982  209.9946  257.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8543  208.7438  257.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9518  210.2912  256.1662 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.8214  211.1648  255.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1254  210.8095  253.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2154  212.4163  255.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9361  213.4062  255.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 19  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 17  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
32.99493652,-83.85001491,-164.57706173,184.40984304,210.30826671,255.09790749
-1.94990964,-0.08777631,1.01345915

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449320/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.01723

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-0.382765

>  <SCORE.INTRA.DIHEDRAL>
1.2556

>  <SCORE.INTRA.DIHEDRAL.0>
1.39729

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.01057

>  <SCORE.INTRA.VDW.0>
-2.30902

>  <SCORE.INTRA.norm>
-0.016642

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.348575

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9 10  0  0  0  0  0  0  0  0999 V2000
  217.7728  185.5353  237.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8891  186.4668  237.5056 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.0412  185.0347  237.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8008  187.1974  238.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0035  188.3486  238.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9195  189.0497  240.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6324  188.6112  241.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4297  187.4754  241.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5145  186.7817  239.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
-79.15377327,218.66770823,187.09991836,239.10544489,1.60150344,0.86200098
-2.29464604

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449321/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38568

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.0143243

>  <SCORE.INTRA.DIHEDRAL>
-0.000888862

>  <SCORE.INTRA.DIHEDRAL.0>
0.725206

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0138799

>  <SCORE.INTRA.VDW.0>
-0.440915

>  <SCORE.INTRA.norm>
-0.00159159

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.70952

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.194115

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  197.4553  205.3755  242.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8300  205.0420  242.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9726  203.5019  243.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9515  205.4762  241.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9410  205.7538  244.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5388  207.0363  244.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7116  207.7416  245.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2643  207.1978  246.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6007  205.9784  246.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4348  205.2628  245.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5552  204.1581  245.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2049  204.3497  245.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6986  205.4262  246.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4459  203.0179  245.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0487  202.0204  246.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9637  203.2431  246.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5162  202.4574  244.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
-92.93707843,-110.05969738,1.36193552,61.05307817,197.59597396,204.82434794
244.96788461,0.01095238,-0.73281523,-2.08379584

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449346/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.81206

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-1.58794

>  <SCORE.INTRA.DIHEDRAL>
-1.84628

>  <SCORE.INTRA.DIHEDRAL.0>
6.54505

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.664804

>  <SCORE.INTRA.VDW.0>
1.67567

>  <SCORE.INTRA.norm>
-0.0934084

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.459533

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002731

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  191.4322  210.3773  253.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3652  211.2174  254.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3765  210.6300  255.7249 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2009  211.2746  256.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7556  212.3234  257.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0887  210.5938  257.6988 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.7293  210.7774  257.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0826  209.1458  256.5276 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.3936  208.2784  257.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5399  206.9005  257.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6578  206.3644  258.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6032  207.2066  258.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4421  208.5900  258.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3378  209.1228  257.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
179.70708531,5.07530917,-67.17094474,189.45678085,209.53399191,256.85638246
-1.13034325,-0.07809484,2.61871878

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449347/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.02946

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-3.37054

>  <SCORE.INTRA.DIHEDRAL>
-5.34536

>  <SCORE.INTRA.DIHEDRAL.0>
6.40974

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.697855

>  <SCORE.INTRA.VDW.0>
0.468311

>  <SCORE.INTRA.norm>
-0.240753

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.359247

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014154

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  188.2687  210.2597  256.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9543  211.0227  256.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8705  210.3766  257.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7374  209.7263  257.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9124  209.2176  258.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4325  209.6117  259.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9675  210.3293  259.3705 S   0  0  0  0  0  0  0  0  0  0  0  0
  183.9537  209.5284  260.7871 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.7891  209.0596  261.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3477  209.7657  262.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.9884  207.5517  261.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1653  206.9177  260.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3835  207.1312  259.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6658  206.5725  258.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7168  205.7823  257.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5167  205.5161  258.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2602  206.0441  259.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8336  205.4536  260.5310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.3446  207.8619  260.3049 F   0  0  0  0  0  0  0  0  0  0  0  0
  182.7387  208.3647  258.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4225  207.8247  257.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.9822  208.3261  259.2679 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.7484  207.6038  259.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0035  207.6645  260.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9782  209.2651  260.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-110.73181080,10.60448651,132.92579470,103.41868246,40.73388672,72.59836758
174.73091303,-178.94747983,184.54478293,208.18926539,259.37510856,0.60550387
-0.24918933,-0.82029667

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449348/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.34781

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-10.0522

>  <SCORE.INTRA.DIHEDRAL>
-5.77098

>  <SCORE.INTRA.DIHEDRAL.0>
9.72708

>  <SCORE.INTRA.POLAR>
-0.4072

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.78222

>  <SCORE.INTRA.VDW.0>
-1.30832

>  <SCORE.INTRA.norm>
-0.418841

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.139492

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000115

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  184.7206  205.8841  254.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1510  205.4166  255.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7381  206.1384  256.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6527  205.1941  257.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2328  203.9742  257.1754 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.9588  204.1013  255.8719 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.3328  202.9967  255.1245 C   0  0  2  0  0  0  0  0  0  0  0  0
  183.2894  202.0583  255.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9288  200.7485  256.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5066  200.6431  255.4527 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.5503  200.8986  256.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5217  199.4697  254.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3225  202.0720  254.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8309  205.3897  259.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1298  207.5758  256.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0972  208.3030  257.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8791  207.5236  258.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5278  206.8770  258.9751 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3915  209.7238  256.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7544  210.3177  255.8754 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4051  210.3117  257.4699 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7238  211.7155  257.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7790  212.6025  258.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9815  212.8602  259.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0777  213.6487  260.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9683  214.1979  259.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7690  213.9681  258.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6720  213.1807  257.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8961  209.8139  258.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  3  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-152.59406540,-134.75735258,0.60988882,79.91908690,83.49887424,186.16411496
206.62037976,256.83808286,1.87554009,0.89637105,-3.13517525

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449349/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.60582

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-1.79418

>  <SCORE.INTRA.DIHEDRAL>
-3.12792

>  <SCORE.INTRA.DIHEDRAL.0>
10.0309

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.230225

>  <SCORE.INTRA.VDW.0>
-2.743

>  <SCORE.INTRA.norm>
-0.064078

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.307351

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000409

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  196.4733  217.7357  253.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0850  217.1234  253.2937 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0340  217.7460  252.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3886  218.8817  252.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9436  219.0376  254.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1678  218.7130  255.0323 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.6051  217.2535  254.7635 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.6081  216.6632  255.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2911  215.6745  255.4743 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6260  217.2106  257.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4967  218.7397  257.1470 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0926  219.0281  256.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6719  219.4388  256.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5288  220.9643  256.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0874  219.0194  256.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
179.70672610,195.32246639,218.21927471,255.15026232,-2.48737251,-0.78517462
0.55792347

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449350/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3017

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.426667

>  <SCORE.INTRA>
-0.0982972

>  <SCORE.INTRA.DIHEDRAL>
-0.120122

>  <SCORE.INTRA.DIHEDRAL.0>
0.425162

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0382362

>  <SCORE.INTRA.VDW.0>
0.614519

>  <SCORE.INTRA.norm>
-0.00655315

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.420114

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  227.8891  190.2798  250.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7792  188.9049  250.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9479  188.0191  249.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2118  188.5109  248.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3872  189.8833  248.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2091  190.7638  249.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2588  187.5967  247.5038 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.3698  188.0175  246.0805 P   0  0  1  0  0  0  0  0  0  0  0  0
  228.0816  186.9019  245.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0950  187.3576  246.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.1094  188.0171  247.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2395  189.3024  248.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0883  190.0416  248.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8189  189.4748  248.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6962  188.1501  247.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8417  187.4217  247.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2244  191.7015  248.8339 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  226.4809  188.4382  244.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.3707  189.2592  244.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1855  188.8995  243.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9858  189.5697  244.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9991  190.7201  244.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2208  191.2390  245.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4072  190.5133  245.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8949  191.2101  245.7215 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  6  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
132.79417048,166.54250290,99.46596517,155.21761604,-22.13075011,-129.45859978
225.88239841,189.35882657,247.08006045,0.60330101,-0.47753815,1.22073776

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449351/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.48865

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.91135

>  <SCORE.INTRA.DIHEDRAL>
-1.17866

>  <SCORE.INTRA.DIHEDRAL.0>
9.30248

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.32202

>  <SCORE.INTRA.VDW.0>
-3.60553

>  <SCORE.INTRA.norm>
-0.236454

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.219546

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000740

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  191.0042  213.7049  258.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6319  214.0002  257.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8808  213.3123  257.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7194  211.9017  257.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0656  211.5699  258.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7700  212.2635  259.0765 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7255  211.6733  258.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0200  210.4333  258.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2353  210.7516  260.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0722  210.4851  261.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2188  211.3431  261.4768 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0836  211.1150  262.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8427  210.2738  263.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2827  211.9162  262.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2773  211.9989  263.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2192  212.9439  263.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4214  213.4795  263.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0907  214.4381  262.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5824  214.8537  261.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3880  214.3274  261.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7438  213.3780  261.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5703  212.7523  261.4928 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5278  211.9595  260.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-154.74657802,63.73974603,-93.69457440,65.52830078,-175.76597922,174.45006148
192.05782847,212.37634231,260.64968019,-2.72586292,0.56002738,1.85126720

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449352/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.31293

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-3.08707

>  <SCORE.INTRA.DIHEDRAL>
4.86331

>  <SCORE.INTRA.DIHEDRAL.0>
1.12403

>  <SCORE.INTRA.POLAR>
-1.00268

>  <SCORE.INTRA.POLAR.0>
-0.0347855

>  <SCORE.INTRA.REPUL>
0.0522194

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.3707

>  <SCORE.INTRA.VDW.0>
-0.173852

>  <SCORE.INTRA.norm>
-0.140322

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.37786

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001237

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  217.7992  183.3274  256.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8385  183.1733  255.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1069  182.9715  256.4828 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4467  182.7823  255.4049 P   0  0  0  0  0  0  0  0  0  0  0  0
  221.4285  184.2852  255.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4942  182.5905  256.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7865  182.5931  254.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6964  182.9188  252.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0370  182.6809  252.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-179.56756830,74.28204957,37.13341650,178.49736723,221.31854977,183.01389150
255.18890920,2.50559374,-0.19273533,1.69969265

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449353/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.06265

>  <SCORE.INTRA.VDW.0>
2.66694

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015407

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  188.2080  213.4706  255.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1760  214.0492  256.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4666  214.9198  257.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3639  214.1347  257.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3691  213.6117  256.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0480  212.8202  255.8351 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.3983  211.6970  255.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3367  211.3057  255.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0334  210.8872  254.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9002  209.8832  254.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9708  210.2702  255.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1768  210.2764  254.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3833  210.6481  255.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4069  211.0082  256.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2316  210.9782  257.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0081  210.6002  256.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8855  210.5548  257.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9918  210.5549  258.4826 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0152  216.4799  256.7318 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.1400  216.3500  255.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6083  217.2518  257.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5381  217.1941  256.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8465  217.1122  254.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1171  217.4782  254.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0622  217.9699  255.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7558  218.0398  256.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4957  217.6396  257.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3217  218.3689  254.8897 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4375  218.5043  253.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7938  217.3219  252.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3832  217.3040  253.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 31  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
59.05131221,88.73740004,-59.72647786,-101.11977354,94.98594138,189.19794029
214.29333365,255.85314151,2.12660900,-0.47577851,-3.05833016

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449354/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.92071

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-3.47929

>  <SCORE.INTRA.DIHEDRAL>
1.78261

>  <SCORE.INTRA.DIHEDRAL.0>
5.17158

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.37059

>  <SCORE.INTRA.VDW.0>
-1.36723

>  <SCORE.INTRA.norm>
-0.112235

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.223249

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  189.9291  213.6486  258.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6131  214.3663  258.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7032  215.8328  259.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4327  214.3092  257.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4809  213.7113  256.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2785  214.9255  256.2656 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5747  213.7615  259.3581 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2354  214.0164  259.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3478  213.2307  260.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9724  213.4636  259.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4429  214.4936  259.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3387  215.2726  258.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7018  215.0374  258.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9485  214.7729  259.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2849  213.9517  257.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9253  214.0630  256.6893 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8382  213.1142  256.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0923  212.1727  257.0575 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5365  213.2089  254.9960 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.4521  213.3232  253.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1863  214.4727  253.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9870  215.6742  253.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4721  217.0898  253.1759 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  182.0099  218.3137  252.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.2016  215.5484  254.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4710  214.3983  255.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0469  215.4172  256.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
  181.7079  214.8661  256.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 19 17  1  1  0  0  0
 19 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
116.92456082,-175.22436390,1.25575105,175.90570647,-89.67115222,-51.50186503
95.74761389,-54.17657890,184.82388814,214.48323283,256.86380573,-0.64502865
-0.11147919,-1.21116085

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449355/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.40944

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-4.99056

>  <SCORE.INTRA.DIHEDRAL>
-0.848485

>  <SCORE.INTRA.DIHEDRAL.0>
4.50662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.56631

>  <SCORE.INTRA.VDW.0>
0.117961

>  <SCORE.INTRA.norm>
-0.199622

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.296378

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001405

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  209.0523  203.0561  245.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4293  201.8958  246.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0759  200.6892  246.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3417  199.7379  247.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0024  199.9586  247.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3636  201.1289  247.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0729  202.0839  246.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1251  198.7682  248.5765 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.4231  200.3197  246.3118 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1384  199.2342  246.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7660  198.4134  247.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4191  199.1652  246.2362 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5214  199.4653  247.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4118  198.4287  247.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5246  198.6773  248.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7527  199.9615  248.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8682  201.0106  248.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7285  200.7718  247.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8367  201.8460  247.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1035  203.1129  247.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2287  203.3461  248.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1031  202.2957  248.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2706  204.1619  247.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9539  200.9889  245.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4718  199.5507  245.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.5277  203.8482  247.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <CHROM.1>
171.37656181,107.85686412,113.27228289,0.89991772,211.00351527,200.64917197
247.48122488,3.05160785,0.08721713,3.02110626

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449356/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.5791

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-4.8209

>  <SCORE.INTRA.DIHEDRAL>
-0.709535

>  <SCORE.INTRA.DIHEDRAL.0>
1.82682

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.46613

>  <SCORE.INTRA.VDW.0>
3.03343

>  <SCORE.INTRA.norm>
-0.209604

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.155613

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000260

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 34  0  0  0  0  0  0  0  0999 V2000
  203.8198  204.8835  236.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7670  204.9689  237.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1890  203.7681  238.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8218  202.6811  237.8855 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1823  203.9400  239.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4184  204.4171  240.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2802  204.5894  241.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6045  205.0935  243.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4894  205.2469  244.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8168  205.7457  245.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7082  205.8957  246.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0799  206.4173  248.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0481  206.4874  249.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4164  207.0475  250.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3574  206.2821  251.0275 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.3189  206.9508  251.6698 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.8988  208.7441  250.5564 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.5036  205.2309  249.6565 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.1494  207.2087  249.0305 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.5826  207.6644  247.9548 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.9935  205.6704  248.5347 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.2941  204.6850  247.1814 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.7567  206.7099  246.5901 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.2091  206.9413  245.4401 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.7771  204.9135  245.9946 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.0904  204.0502  244.6896 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.5275  206.0756  244.1044 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.0065  206.2949  242.9271 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.5564  204.2719  243.4862 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.8777  203.3925  242.1960 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.3247  205.4238  241.6143 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.7583  205.5772  240.4052 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.4252  203.5138  240.9576 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.8621  202.7932  239.7334 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.1344  204.8519  239.1013 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
1.04501079,73.00866152,177.91439638,178.84680179,179.55679034,-179.80600789
179.97073447,178.87701517,178.33039018,178.35051630,58.85878234,206.07476887
205.50243484,244.68653699,1.68493457,0.61242505,-1.89607501

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449357/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7547

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.468571

>  <SCORE.INTRA>
-5.64533

>  <SCORE.INTRA.DIHEDRAL>
-0.653348

>  <SCORE.INTRA.DIHEDRAL.0>
1.71778

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.31866

>  <SCORE.INTRA.VDW.0>
-1.22014

>  <SCORE.INTRA.norm>
-0.161295

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.307276

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.061033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 50 51  0  0  0  0  0  0  0  0999 V2000
  217.3296  177.8498  264.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9509  177.8838  262.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1536  177.6940  262.7885 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1794  178.1592  261.8187 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6537  178.2216  260.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5100  178.5192  259.5125 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.4031  177.4426  259.4547 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9740  176.1370  258.8646 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.4729  176.4775  257.4543 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.4522  177.6811  257.4693 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.0061  178.8147  258.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8905  178.2044  255.7451 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.6215  179.7101  256.0829 As  0  0  1  0  0  0  0  0  0  0  0  0
  221.0249  178.4097  255.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4714  180.6551  254.0158 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.6144  182.2688  254.4303 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.7281  182.1105  255.6903 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.6183  181.0728  255.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.8122  181.5437  254.1477 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.7977  181.8866  252.9884 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.8184  182.7951  253.3762 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0749  182.4556  251.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2505  181.4808  251.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4229  181.6064  250.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3716  182.6413  249.5313 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5517  180.4509  249.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9914  182.6226  254.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7830  182.8402  253.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3385  182.0464  253.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9797  184.0642  254.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7694  180.8922  256.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7577  179.9896  256.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5277  179.2288  255.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8915  179.9592  257.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4965  181.7388  256.7778 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0639  181.7469  258.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9471  182.1586  258.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9460  181.2345  259.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3543  176.7611  256.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5489  175.8402  256.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7841  174.6440  256.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3134  176.3060  255.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9888  175.1717  258.7166 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3219  174.5046  259.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6010  174.6568  260.8655 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2404  173.5544  259.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8398  177.2378  260.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1481  178.1838  261.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9663  179.3049  260.9481 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5587  177.8451  262.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  1  0  0  0
  8  9  1  0  0  0  0
  8 43  1  6  0  0  0
  9 10  1  0  0  0  0
  9 39  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  1  0  0  0
 18 19  1  0  0  0  0
 18 31  1  1  0  0  0
 19 20  1  0  0  0  0
 19 27  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
M  END
>  <CHROM.1>
179.67914291,178.47737449,-62.22603311,63.54853969,-68.73230295,-81.73575254
-169.95665344,100.99687317,103.81202044,-28.29426900,167.95221880,-175.49626799
-148.04026351,-64.71925541,178.15460196,2.70625973,3.20343647,0.82612978
-3.54485081,-1.70055062,-4.18201310,0.71126621,216.39791694,179.32965143
256.77779556,-1.57587824,-0.47786519,-1.02528115

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449358/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.4637

>  <SCORE.INTER>
27.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
22

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.548

>  <SCORE.INTRA>
-13.9363

>  <SCORE.INTRA.DIHEDRAL>
-20.4258

>  <SCORE.INTRA.DIHEDRAL.0>
30.9906

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.72342

>  <SCORE.INTRA.VDW.0>
-9.14578

>  <SCORE.INTRA.norm>
-0.278726

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
50

>  <SCORE.norm>
0.269274

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009903

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  174.5829  216.0663  260.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.8458  216.8771  260.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.0461  215.9507  261.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.5186  215.6684  261.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.0094  214.7356  261.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.5959  213.5711  261.3736 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.3789  215.0100  261.3654 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.3276  213.9152  261.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3685  213.9006  262.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0576  215.2677  262.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9845  216.3582  262.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9694  216.3399  261.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0038  215.6030  261.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2753  215.6789  261.5194 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.1369  215.9958  260.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3536  215.9899  260.6135 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5434  216.3585  259.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0694  216.8417  258.1164 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.0314  217.0192  257.2226 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.8717  216.3680  257.7249 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.1089  216.1171  259.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3969  215.7522  260.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.5770  216.4932  257.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6938  215.3518  257.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.3950  215.6295  257.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5025  214.6198  258.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8981  213.2899  258.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1868  212.9845  257.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0785  214.0067  257.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6508  213.5359  256.9044 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  177.9774  216.9017  258.0452 F   0  0  0  0  0  0  0  0  0  0  0  0
  183.2942  216.7163  256.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-107.73241071,-113.51826213,160.03421340,131.52621744,179.94736009,215.35782737
259.61524934,2.91570141,0.10038738,1.43579629

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449359/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.79192

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-4.60808

>  <SCORE.INTRA.DIHEDRAL>
-1.65963

>  <SCORE.INTRA.DIHEDRAL.0>
4.32479

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.77826

>  <SCORE.INTRA.VDW.0>
-2.8809

>  <SCORE.INTRA.norm>
-0.148648

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.154578

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000454

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  184.0379  233.5040  260.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1554  232.2987  260.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5171  231.6056  260.9729 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6619  231.9126  262.2920 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.9619  231.2283  263.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1501  230.3335  263.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.2983  231.6892  264.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8259  231.3100  265.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4990  232.1079  266.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3449  232.9252  266.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2377  232.6808  264.7729 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.0247  231.8840  258.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6678  232.6159  257.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5000  232.2648  256.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7135  231.1597  255.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0758  230.4274  256.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2282  230.7872  258.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1736  233.0327  255.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4487  233.3470  254.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1956  234.1619  254.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1813  235.3748  254.5943 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0707  233.4056  254.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3426  232.5898  262.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
  180.2859  233.9703  254.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-1.67092189,177.69417355,178.47838496,-139.58296531,61.96803276,83.38493047
-179.29989457,182.66984929,232.32484740,259.70199954,-1.62014174,-1.16573028
-1.48133659

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449360/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.5874

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-3.8126

>  <SCORE.INTRA.DIHEDRAL>
-6.55385

>  <SCORE.INTRA.DIHEDRAL.0>
10.118

>  <SCORE.INTRA.POLAR>
0.198511

>  <SCORE.INTRA.POLAR.0>
-0.34761

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.21061

>  <SCORE.INTRA.VDW.0>
2.14179

>  <SCORE.INTRA.norm>
-0.1733

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.344882

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000280

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  197.7599  218.0613  252.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7239  217.2298  253.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0142  216.0769  253.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3407  215.7603  254.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3767  216.5815  253.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0876  217.7380  252.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7747  216.2335  253.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6973  216.8778  253.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0464  215.1176  254.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0080  214.3250  255.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6283  214.5710  254.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7400  213.7984  255.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2928  213.3212  256.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5921  213.1456  256.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6624  213.9382  256.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3604  214.8880  255.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0417  213.7573  256.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0169  214.7842  256.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3034  214.5281  257.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6324  213.2607  257.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6983  212.2380  257.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4282  212.4810  257.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2001  212.9647  258.5348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.7194  216.4501  256.5551 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.3413  212.4783  256.8033 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4793  212.6919  256.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
2.22220051,-150.44950398,202.11750229,214.79746109,255.79199824,-2.67996446
0.25162920,2.61187516

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449361/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38346

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.256

>  <SCORE.INTRA>
-0.0165418

>  <SCORE.INTRA.DIHEDRAL>
-0.351919

>  <SCORE.INTRA.DIHEDRAL.0>
1.50812

>  <SCORE.INTRA.POLAR>
-0.000245442

>  <SCORE.INTRA.POLAR.0>
-0.0438893

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.160252

>  <SCORE.INTRA.VDW.0>
-0.149356

>  <SCORE.INTRA.norm>
-0.000661673

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.255338

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009795

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 44  0  0  0  0  0  0  0  0999 V2000
  199.8359  207.2897  253.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4964  207.6508  253.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5537  206.9483  252.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4614  207.8206  252.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7922  209.0150  252.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0487  208.9151  253.2586 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0815  210.3273  252.8863 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.0528  210.8183  254.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0057  211.2113  254.9044 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1896  210.6400  255.1554 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6226  211.7087  256.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4632  212.7900  255.3631 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.0059  213.8237  256.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1298  215.0501  255.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9084  214.9274  254.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6593  213.5229  254.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5024  211.4145  251.9465 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3886  212.0517  251.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9637  213.4287  251.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9033  213.7522  253.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7918  215.0825  253.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7290  216.1099  252.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7102  215.8044  251.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8145  214.4743  250.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7953  214.1856  249.0480 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.7912  211.9705  251.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6989  211.4651  252.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1198  213.1464  251.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9768  214.2074  251.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9729  215.0338  250.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2062  214.4242  249.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7018  213.2753  249.8894 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0078  214.8201  247.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2764  214.0365  247.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0851  214.4678  245.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6209  215.6840  245.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3546  216.4666  246.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5454  216.0349  247.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9054  209.9954  254.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1548  212.5714  249.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 12 11  1  1  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 40  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
129.01117802,-131.75958949,127.86574390,138.29405984,-83.35235376,-174.82000763
104.47120129,-40.22984074,147.37351774,174.90311100,197.08892482,212.74534692
251.75502077,-1.09788666,1.40335949,-1.36824918

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449378/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.63373

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-13.7663

>  <SCORE.INTRA.DIHEDRAL>
-6.85427

>  <SCORE.INTRA.DIHEDRAL.0>
16.684

>  <SCORE.INTRA.POLAR>
-0.640201

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.16246

>  <SCORE.INTRA.VDW.0>
-4.17713

>  <SCORE.INTRA.norm>
-0.36227

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.0429928

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000040

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  222.2698  186.1705  248.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2717  185.0879  248.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4918  185.3782  249.9636 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.3852  186.3240  249.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1442  187.3248  250.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0748  184.1068  250.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6126  184.1602  252.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6669  184.8445  252.7343 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4219  185.1033  254.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4082  184.7764  254.6485 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5441  185.9700  254.5951 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.8129  185.1180  254.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8177  185.8261  255.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4158  187.0728  255.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2346  187.0087  253.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8518  188.1615  253.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6543  189.3856  254.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8245  189.4632  255.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2052  188.3135  255.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7847  187.2132  253.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4184  187.1394  252.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7076  188.3032  251.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3644  189.5482  252.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7202  189.6341  253.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4280  188.4726  254.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
78.04033088,-141.49719768,162.87044640,-51.69797563,174.97539622,1.46310497
-74.88858173,-163.48542285,-73.98274622,-66.85373600,-65.09778772,222.06444259
186.72950472,252.84927537,-2.64180110,0.75175679,1.86258453

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449379/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.27454

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.656

>  <SCORE.INTRA>
-13.1255

>  <SCORE.INTRA.DIHEDRAL>
-11.8328

>  <SCORE.INTRA.DIHEDRAL.0>
18.4997

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.20907

>  <SCORE.INTRA.VDW.0>
2.16442

>  <SCORE.INTRA.norm>
-0.525018

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.130982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  215.8519  177.6325  247.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5068  176.5101  246.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5362  176.8599  245.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9932  176.1624  246.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7810  176.8837  247.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4650  174.7230  246.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8734  178.2726  244.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9578  178.7958  245.0148 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8163  178.9305  244.2328 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0734  180.3284  243.9531 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9042  180.9617  243.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9344  181.4872  242.6059 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3379  181.0430  245.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5003  180.7993  246.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7479  181.4053  247.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8842  182.1982  247.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7037  182.4816  246.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4298  181.9169  245.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8523  181.1203  248.6381 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1832  180.1913  249.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2312  179.9787  250.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4714  179.0469  251.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6638  178.3242  251.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6325  178.5602  250.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4056  179.5137  249.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5147  175.3980  245.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
112.36555557,176.52989131,174.84360730,-45.27582434,101.12790660,178.85742071
217.01373843,179.15862604,246.89894918,-2.19638262,1.44335980,-0.84366716

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449380/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.62382

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-2.77618

>  <SCORE.INTRA.DIHEDRAL>
0.202966

>  <SCORE.INTRA.DIHEDRAL.0>
7.07456

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.87766

>  <SCORE.INTRA.VDW.0>
-0.464554

>  <SCORE.INTRA.norm>
-0.106776

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.331685

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001279

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  190.0578  207.1142  258.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0820  207.2942  259.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2473  208.5590  260.4188 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4000  208.8012  261.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5396  208.0264  261.8453 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6551  210.1535  262.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2061  210.5135  263.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4306  211.8033  263.7345 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9863  212.7916  262.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4627  212.5528  261.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3842  211.1586  261.1079 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.8094  211.1748  259.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3466  210.8907  258.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2927  211.0406  257.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1913  211.4243  258.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4950  211.5132  259.5811 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9510  213.6837  260.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7498  214.8594  261.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6509  213.2557  259.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1111  214.3268  258.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8746  213.8067  257.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9405  214.2215  263.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9025  215.4076  263.8974 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4364  209.6350  264.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9506  212.0881  264.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  6  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <CHROM.1>
179.34830802,0.41366155,-162.68690300,-12.98569124,-118.80466757,178.45719740
-179.21882400,189.06231669,211.39024162,260.82273106,-2.11934799,1.17845207
0.68841938

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449381/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0616

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-2.33836

>  <SCORE.INTRA.DIHEDRAL>
-5.12122

>  <SCORE.INTRA.DIHEDRAL.0>
7.41442

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.222246

>  <SCORE.INTRA.VDW.0>
-0.138063

>  <SCORE.INTRA.norm>
-0.0974318

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.419235

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  181.1877  211.0928  256.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2622  212.5965  256.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9941  213.0696  258.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.1609  214.4211  258.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6585  215.2272  257.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.8369  214.7535  259.2949 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.0471  214.7671  260.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6137  215.6067  261.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7949  216.1219  262.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2997  216.8873  263.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6139  217.1780  263.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4853  216.6801  262.9352 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.0189  215.8522  261.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1059  215.3153  261.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9619  214.2848  260.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2264  214.6403  259.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2513  215.9463  261.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8687  216.7865  262.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7208  217.4865  263.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5545  218.8130  263.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5446  219.6779  263.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8262  219.3074  262.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4083  221.0914  263.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1707  221.6459  264.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0410  222.9993  264.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1212  223.7890  264.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3182  223.2296  263.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4622  221.8833  262.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7167  216.8160  264.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5840  217.4869  265.1191 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6880  215.3438  264.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6305  214.5078  264.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6747  213.1332  264.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7438  212.5905  265.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7622  213.4233  265.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7383  214.7905  265.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <CHROM.1>
-179.97820978,4.15299558,-79.10441202,-61.92429068,167.14526191,-7.42061718
-0.41952798,-11.37617154,184.83304350,216.59230613,262.30406069,2.21721641
0.80726009,-2.91496856

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449382/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0250835

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-13.4251

>  <SCORE.INTRA.DIHEDRAL>
-23.5015

>  <SCORE.INTRA.DIHEDRAL.0>
34.2443

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.67431

>  <SCORE.INTRA.VDW.0>
-0.21614

>  <SCORE.INTRA.norm>
-0.372919

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
-0.000696765

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012188

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  196.9597  212.4924  257.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9104  212.7808  258.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2952  212.5221  260.3658 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.4366  212.5605  261.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3262  213.5358  260.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1134  213.4925  260.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5981  214.7261  259.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4200  214.7297  258.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7656  213.5402  258.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2017  212.3477  259.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3385  212.3259  259.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6008  210.7969  260.6266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.6493  213.5338  257.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6968  214.1219  256.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8042  214.8827  255.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9316  214.9699  256.2014 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3786  215.4749  254.5498 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0547  215.2614  254.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2129  215.6435  253.4542 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7863  216.4187  252.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3638  215.3739  251.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0003  215.5470  250.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9547  216.0179  251.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3657  217.3928  252.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6511  217.3079  252.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3358  214.1022  255.3826 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.3801  216.3283  253.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9366  215.6960  252.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7822  216.6273  251.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2127  218.0243  251.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7591  218.6830  252.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9363  217.7965  253.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2859  215.8928  259.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0917  216.4125  258.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
168.07719204,73.19649962,-135.29177718,101.04047401,49.09167343,106.85867582
118.98472711,193.05914207,214.74165001,256.18867106,-0.93894032,-0.28689250
-0.93399029

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449383/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3362

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-6.0638

>  <SCORE.INTRA.DIHEDRAL>
-6.08758

>  <SCORE.INTRA.DIHEDRAL.0>
24.3217

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.02001

>  <SCORE.INTRA.VDW.0>
-1.21169

>  <SCORE.INTRA.norm>
-0.178347

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.186359

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  189.7378  212.7231  256.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9199  213.4410  256.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9182  214.8260  256.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7313  215.5175  256.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5537  214.7770  256.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5573  213.3885  256.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8044  217.0045  256.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4749  217.4513  258.1557 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7051  218.5498  258.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3023  218.4080  259.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7620  217.1333  260.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4803  216.4172  261.3487 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1321  215.2466  261.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7561  214.3468  262.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4512  213.1551  262.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5775  212.8871  261.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9221  213.7484  260.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1668  214.8827  260.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4210  215.5696  259.3943 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6379  216.6622  259.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5300  219.3755  260.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2742  220.4890  260.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2126  218.9353  261.8897 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5510  219.6537  262.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3890  219.0302  264.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7636  219.6976  265.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2752  220.9855  265.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4050  221.6097  263.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0449  220.9487  262.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6733  221.6201  266.0128 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.4358  219.5419  257.6225 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5570  218.0106  262.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7089  219.5699  256.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.8367  220.3216  257.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <CHROM.1>
-114.97670704,-137.78991960,-7.01740089,-177.23579378,188.38071209,217.13298074
260.42585158,-0.27564418,-1.11048035,2.06263489

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449385/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.11562

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-1.28438

>  <SCORE.INTRA.DIHEDRAL>
-0.749737

>  <SCORE.INTRA.DIHEDRAL.0>
3.06247

>  <SCORE.INTRA.POLAR>
-0.13208

>  <SCORE.INTRA.POLAR.0>
-0.70257

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.460437

>  <SCORE.INTRA.VDW.0>
-2.11351

>  <SCORE.INTRA.norm>
-0.0414315

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.261794

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000710

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  186.3088  222.6399  263.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6193  222.3725  262.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6348  223.1192  261.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9045  222.8616  260.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8957  223.6120  259.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1901  223.3458  257.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2834  224.0556  256.9115 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.4943  223.8551  255.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7674  222.6177  254.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9437  222.4965  253.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8497  223.6014  252.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6051  224.8578  253.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4250  224.9804  254.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0201  223.5016  251.3869 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3286  222.3634  250.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3980  221.2106  251.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6550  222.6575  249.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2442  221.5417  248.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3055  220.3975  248.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1231  219.3272  249.3453 N   0  3  0  0  0  0  0  0  0  0  0  0
  185.1936  219.8066  250.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.7956  218.6318  249.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2559  218.3303  249.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9932  224.3584  250.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  CHG  1  20   1
M  END
>  <CHROM.1>
-179.30549510,179.49059018,179.67869738,-178.73516399,-179.86562798,42.92455762
-2.06587422,168.23000955,74.53898444,-88.40124669,31.89733148,185.24222837
222.32425153,254.26454569,-1.42445227,1.34507862,-1.92298005

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449418/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.40629

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.745455

>  <SCORE.INTRA>
-7.99371

>  <SCORE.INTRA.DIHEDRAL>
-5.20524

>  <SCORE.INTRA.DIHEDRAL.0>
13.2476

>  <SCORE.INTRA.POLAR>
-1.46158

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.421719

>  <SCORE.INTRA.VDW.0>
3.02679

>  <SCORE.INTRA.norm>
-0.36335

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.382104

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000987

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  209.2949  198.5874  247.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7003  198.4409  246.6874 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2384  199.8435  246.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7834  200.0079  245.1967 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2935  201.2417  244.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8784  201.4387  243.7999 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1630  202.3762  245.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6143  203.6591  245.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4827  204.6885  246.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9177  204.4295  247.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4652  203.1454  247.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5799  202.1123  247.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0787  200.8394  247.3018 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7706  197.5686  247.8993 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.5112  198.9472  248.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7623  199.5387  249.6906 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2920  200.6138  250.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5269  201.1183  249.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2010  200.4597  248.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7175  199.3690  248.3524 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4611  200.8846  248.5286 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.5557  201.1908  251.3142 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.7374  200.6085  248.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4229  201.6132  247.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9775  200.0703  248.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0628  200.4509  251.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9324  201.9231  250.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <CHROM.1>
-132.49864822,-94.02406287,79.79009499,33.72150794,-85.58345445,212.17119772
200.70910769,247.56112636,1.84508691,1.21253735,2.28669844

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449419/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.67708

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-1.72292

>  <SCORE.INTRA.DIHEDRAL>
1.04606

>  <SCORE.INTRA.DIHEDRAL.0>
3.80484

>  <SCORE.INTRA.POLAR>
-0.204253

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.5515

>  <SCORE.INTRA.VDW.0>
-2.07564

>  <SCORE.INTRA.norm>
-0.0783148

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.394413

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000155

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  206.2369  188.0390  247.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8433  188.2163  248.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4370  189.3877  248.8237 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0244  189.1913  249.2190 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.7382  187.7203  248.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6957  187.1141  249.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9501  187.2097  248.4755 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2232  185.8296  248.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4596  185.3565  248.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7372  183.9900  248.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7911  183.0902  248.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5557  183.5528  247.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2601  184.9181  248.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9782  189.4221  250.6371 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6962  188.6645  251.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3575  187.6859  251.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6155  189.1370  252.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4274  190.2047  250.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  1  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
-60.59864947,25.33401787,204.01744641,187.03607413,249.33480140,-1.27512284
0.87441762,0.24601815

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449420/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.41405

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.985948

>  <SCORE.INTRA.DIHEDRAL>
-4.10945

>  <SCORE.INTRA.DIHEDRAL.0>
9.23368

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.06878

>  <SCORE.INTRA.VDW.0>
-1.63549

>  <SCORE.INTRA.norm>
-0.0579969

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.377297

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006309

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 52 52  0  0  0  0  0  0  0  0999 V2000
  188.4307  202.0056  253.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0238  202.7526  252.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5179  203.8961  251.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3854  204.7602  252.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6572  206.2544  252.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0620  207.1535  251.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2683  207.9914  250.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8475  208.2398  250.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4664  209.5735  251.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0389  209.7285  252.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1404  210.4161  253.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1494  211.2489  252.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5789  210.7319  252.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0854  210.5837  254.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2835  209.4363  254.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2135  208.0311  254.4059 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.3917  207.4410  253.6172 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.0495  206.9232  255.0005 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.8622  207.2672  256.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4893  205.5041  255.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6150  204.5004  254.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2134  203.0808  254.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7220  202.2358  255.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5811  202.6961  256.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5211  200.7412  255.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4698  200.2556  256.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1059  200.7753  256.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4491  201.5839  257.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0657  202.0921  258.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0201  202.0398  257.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0158  201.2410  257.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9501  199.7814  257.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3281  198.8742  258.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8502  199.2290  259.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2586  197.4048  258.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6950  208.1554  253.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5776  209.5675  252.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8866  210.4182  252.5501 P   0  0  1  0  0  0  0  0  0  0  0  0
  194.6440  209.8671  251.3844 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1966  211.8380  252.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7875  210.8526  253.7806 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1901  211.8653  253.7918 P   0  0  0  0  0  0  0  0  0  0  0  0
  195.4408  212.9686  253.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9660  212.1331  255.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5927  212.8779  253.8031 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2722  211.9078  254.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3572  208.9716  254.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5490  207.1998  250.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3041  202.1576  251.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8373  212.5680  252.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.4527  211.4588  255.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.4478  213.6167  254.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 49  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 46  1  0  0  0  0
 16 15  1  1  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  1  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  6  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 40 50  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
 44 51  1  0  0  0  0
 45 52  1  0  0  0  0
M  END
>  <CHROM.1>
123.14146654,62.68123479,99.82950896,106.93957195,-70.14549324,99.55252995
-122.40519073,-54.86585959,106.98773636,78.23706126,-36.12972738,144.37970027
177.28008094,-118.20038864,-103.88558720,64.08649242,-115.83167065,101.05047847
-61.82998800,113.65807472,-177.39820383,54.51982281,158.87111190,-174.65315385
52.92732520,90.37457535,24.72934851,190.39030848,206.63013111,254.24275941
2.07247881,0.29417103,2.66260259

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449421/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.12145

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-31.5214

>  <SCORE.INTRA.DIHEDRAL>
-32.9735

>  <SCORE.INTRA.DIHEDRAL.0>
46.0953

>  <SCORE.INTRA.POLAR>
-0.761758

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.4447

>  <SCORE.INTRA.VDW.0>
0.121666

>  <SCORE.INTRA.norm>
-0.643295

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
49

>  <SCORE.norm>
-0.0432949

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.836654

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 35  0  0  0  0  0  0  0  0999 V2000
  201.4865  220.1602  256.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1627  221.4805  256.5468 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.4032  221.0989  255.7413 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7955  219.8044  256.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6575  219.2021  257.0037 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.3688  217.8524  256.5033 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5931  217.5167  255.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2393  216.3323  254.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5877  215.3521  255.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1522  214.2965  255.1281 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5069  215.7081  256.8779 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8623  216.9205  257.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7035  217.1345  258.6087 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3128  220.9392  254.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2938  220.1215  253.5833 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9563  219.8146  252.0333 P   0  0  1  0  0  0  0  0  0  0  0  0
  202.1515  221.0142  251.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0650  218.7256  251.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5462  219.0448  251.6884 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2442  217.4148  252.1833 P   0  0  1  0  0  0  0  0  0  0  0  0
  199.5339  217.9261  253.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0688  217.2843  251.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9422  215.7848  252.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1007  215.0801  251.7591 P   0  0  0  0  0  0  0  0  0  0  0  0
  202.4289  215.7600  251.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1366  213.5613  252.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5572  214.9787  250.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5289  222.0559  257.8170 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0742  215.0420  257.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8111  217.8672  252.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7085  218.1726  250.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.2669  213.4783  253.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0477  215.7880  250.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9552  222.9223  257.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  1  0  0  0
  3  4  1  0  0  0  0
  3 14  1  6  0  0  0
  4  5  1  0  0  0  0
  5  1  1  6  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  6  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  1  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
M  END
>  <CHROM.1>
-178.91390531,-50.69441747,87.11779770,178.47167129,-37.46227507,74.92824904
-65.65418219,94.59273800,-26.32790737,96.20942303,46.03432866,-54.21990592
38.15286608,201.62478969,217.86467302,253.93498346,0.13704827,1.29113949
2.25443417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449422/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-8.28887

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-21.6889

>  <SCORE.INTRA.DIHEDRAL>
-14.0563

>  <SCORE.INTRA.DIHEDRAL.0>
22.3738

>  <SCORE.INTRA.POLAR>
-2.45733

>  <SCORE.INTRA.POLAR.0>
-0.31486

>  <SCORE.INTRA.REPUL>
-0.185948

>  <SCORE.INTRA.REPUL.0>
0.185948

>  <SCORE.INTRA.VDW>
-5.37607

>  <SCORE.INTRA.VDW.0>
-1.85303

>  <SCORE.INTRA.norm>
-0.774603

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
-0.296031

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.608619

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  195.8590  203.2852  248.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0654  203.4512  249.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5071  203.5159  250.1196 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2554  202.2821  249.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7573  201.6712  248.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6568  202.1174  247.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4411  201.3646  246.6746 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4159  200.4303  246.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2419  200.5946  247.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3389  199.7709  247.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5873  198.7415  247.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7343  198.5603  245.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6305  199.4122  245.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6528  197.9218  247.2465 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.6385  203.7745  251.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0091  204.3706  251.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2295  205.7354  251.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2810  205.6155  249.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2706  206.1801  248.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3204  206.0631  247.6306 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3330  205.4065  247.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3588  204.8300  247.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3322  204.9340  249.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6770  201.4777  245.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-158.59184875,62.11417248,-63.84572329,113.06376537,198.36190452,202.57034485
248.46639566,1.59243384,-0.26430346,0.47349324

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449423/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.72507

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-2.67493

>  <SCORE.INTRA.DIHEDRAL>
0.573228

>  <SCORE.INTRA.DIHEDRAL.0>
0.774877

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.96155

>  <SCORE.INTRA.VDW.0>
0.738857

>  <SCORE.INTRA.norm>
-0.116301

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.292394

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000098

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  198.8480  211.0310  252.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9177  210.0644  252.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5659  210.3600  252.3949 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6167  209.5548  251.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3553  210.1311  251.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3263  209.3589  250.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5383  208.0392  250.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7480  207.4530  251.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7835  208.2182  251.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5912  207.2476  249.9393 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.2467  207.5280  249.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2386  208.5256  250.5443 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.7598  206.8335  248.5686 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5820  206.4861  247.4003 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4783  207.6675  247.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4413  205.2359  247.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8897  204.5536  246.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7850  203.4953  246.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2186  203.1551  247.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7260  203.8759  248.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8471  204.9002  248.8152 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8270  206.2653  249.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.7506  206.7007  248.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-179.79903411,-147.03701009,-9.60327201,-41.53372003,158.06045747,193.60231646
207.44335698,249.78805054,-0.98117820,0.16029944,-2.51928646

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449424/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.37834

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-5.02166

>  <SCORE.INTRA.DIHEDRAL>
-4.45607

>  <SCORE.INTRA.DIHEDRAL.0>
9.09977

>  <SCORE.INTRA.POLAR>
-0.8847

>  <SCORE.INTRA.POLAR.0>
-0.00994744

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.214357

>  <SCORE.INTRA.VDW.0>
0.00723431

>  <SCORE.INTRA.norm>
-0.239126

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.256112

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  204.0503  185.3149  255.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4916  186.5349  256.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3843  187.6612  255.5137 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.7139  188.8599  256.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3547  186.9391  254.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1555  188.0743  254.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0500  185.6809  254.7732 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4858  188.7374  253.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.2886  186.5777  254.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1488  185.8225  255.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
-66.91244429,39.26984894,175.84687652,178.17600997,204.83237404,187.14920149
255.42468868,-2.45820244,-0.57681933,-0.47364075

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449425/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.46792

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-2.93208

>  <SCORE.INTRA.DIHEDRAL>
-0.510543

>  <SCORE.INTRA.DIHEDRAL.0>
1.43933

>  <SCORE.INTRA.POLAR>
-0.908236

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.411193

>  <SCORE.INTRA.VDW.0>
-0.46926

>  <SCORE.INTRA.norm>
-0.418868

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.781132

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004091

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  199.6323  217.7516  252.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3071  217.7014  252.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8059  216.5397  253.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6263  215.4147  253.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9592  215.4790  252.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4592  216.6422  252.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0918  214.1603  253.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8678  213.8465  255.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7937  214.7433  256.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1119  215.7543  256.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6459  214.3328  257.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6640  215.1450  258.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3960  214.8844  259.4568 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1453  213.7613  259.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1944  212.8870  258.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4301  213.1772  257.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-120.80838636,65.01463745,2.07823660,-179.17021156,199.42298381,215.12789848
255.46415111,-2.67111331,1.31939276,3.07834098

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449426/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.68855

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-3.71145

>  <SCORE.INTRA.DIHEDRAL>
-7.06631

>  <SCORE.INTRA.DIHEDRAL.0>
7.92865

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.178298

>  <SCORE.INTRA.VDW.0>
0.273023

>  <SCORE.INTRA.norm>
-0.231966

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.355534

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018909

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 46  0  0  0  0  0  0  0  0999 V2000
  203.2123  213.5226  246.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5563  214.6648  247.2114 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5905  215.2166  248.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8907  216.1269  249.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3686  217.3781  248.4499 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.7542  218.3642  249.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3083  219.6092  248.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0499  219.2799  247.8588 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.0941  217.8752  247.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2042  217.6654  246.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2677  218.7145  245.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2679  219.9430  246.3307 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7602  220.3100  246.6600 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9104  221.8212  246.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1057  222.6273  245.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6123  222.2202  245.4528 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1701  221.0717  246.3849 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.9676  221.6687  247.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1092  222.9389  247.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5805  224.0283  246.9242 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6811  223.5155  245.4531 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3315  224.5840  244.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2839  223.2794  244.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2106  223.5563  245.3367 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3622  222.6304  243.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0961  222.3553  243.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7464  225.1795  247.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8235  225.9084  248.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5937  225.6702  249.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8990  227.0716  248.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8285  220.3541  246.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8216  220.0460  245.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2242  216.8465  247.4502 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.8928  215.8282  246.3741 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.9966  215.1701  245.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8981  216.5140  245.6373 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9707  219.3157  249.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6733  218.1167  248.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8930  218.4208  246.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6295  218.2066  249.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8301  218.8541  248.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4658  217.2765  245.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  1  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  6  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  6  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 33  9  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 36 42  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <CHROM.1>
125.39629822,69.24562457,128.45298052,178.47183627,2.88277991,-175.32458413
177.63859828,199.35088135,220.19008298,246.84296484,0.57437242,0.61443753
-2.58263612

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449427/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.3249

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278049

>  <SCORE.INTRA>
-7.0751

>  <SCORE.INTRA.DIHEDRAL>
-6.79049

>  <SCORE.INTRA.DIHEDRAL.0>
8.13956

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.300084

>  <SCORE.INTRA.REPUL.0>
0.300084

>  <SCORE.INTRA.VDW>
-2.17943

>  <SCORE.INTRA.VDW.0>
5.94499

>  <SCORE.INTRA.norm>
-0.172563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.105485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005278

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 62 70  0  0  0  0  0  0  0  0999 V2000
  203.5134  210.6301  256.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7650  211.9276  256.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6630  212.4726  255.1012 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1990  212.7326  255.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1111  214.0848  256.3873 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.8776  214.5858  257.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1133  215.7536  258.2625 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1798  215.2739  259.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5713  215.0104  259.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6144  214.8206  258.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7298  215.3777  256.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9991  215.0260  255.2830 N   0  0  2  0  0  0  0  0  0  0  0  0
  201.5788  215.1719  255.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2452  213.8005  254.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0112  214.8807  260.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2650  214.6525  261.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3755  214.6308  262.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2665  214.8675  263.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0119  215.0842  262.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9329  215.0636  261.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8506  215.2423  260.5767 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4721  217.2626  257.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6639  217.9449  258.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2555  218.5432  257.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4001  218.7775  255.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1328  219.0942  256.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7509  217.8939  256.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6939  220.0373  255.1187 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.6869  221.2569  255.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2424  222.4572  254.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0035  222.0694  253.9611 N   0  0  2  0  0  0  0  0  0  0  0  0
  198.4276  220.8592  254.6615 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2320  220.2496  253.7631 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.9705  221.0406  252.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9202  221.7254  251.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2047  222.0022  252.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4672  218.7493  253.3121 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.7011  218.0211  253.9541 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.0367  219.0179  254.0596 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.4108  218.4852  254.5520 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6364  218.7960  253.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7893  217.5632  255.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3143  218.3024  256.0822 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6591  216.1973  255.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7782  215.5234  256.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0928  216.8886  253.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3241  218.5278  251.8837 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0158  218.3954  251.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0319  218.5109  252.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8929  218.3123  250.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8174  220.3210  254.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3769  221.6551  255.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2444  217.8482  259.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5651  218.4826  260.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6905  215.6738  258.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8267  216.5482  258.9087 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4194  214.4753  259.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1045  214.4057  260.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5182  211.4921  254.0554 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9345  215.4398  260.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7677  216.3888  253.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9167  211.8533  253.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 59  1  0  0  0  0
  5  4  1  6  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 55  1  1  0  0  0
  8 21  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 60  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 40  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 32  1  0  0  0  0
 28 39  1  0  0  0  0
 28 29  1  6  0  0  0
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 31 30  1  1  0  0  0
 31 36  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 37  1  0  0  0  0
 33 51  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 37 47  1  0  0  0  0
 38 39  1  0  0  0  0
 38 42  1  0  0  0  0
 38 46  1  0  0  0  0
 39 40  1  0  0  0  0
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 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 46 61  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 51 52  1  0  0  0  0
 53 54  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 59 62  1  0  0  0  0
M  END
>  <CHROM.1>
56.00204652,-172.71130973,-112.57964442,-109.65901175,-69.34603605,50.96161151
-81.20447059,-67.70070503,-171.76160846,-172.18525925,3.56517573,-176.93201931
200.09410668,216.99741383,256.28959885,-0.29089462,1.01197486,-2.05762725

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449429/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.92739

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.261017

>  <SCORE.INTRA>
-9.47261

>  <SCORE.INTRA.DIHEDRAL>
-10.9179

>  <SCORE.INTRA.DIHEDRAL.0>
23.5691

>  <SCORE.INTRA.POLAR>
0.145401

>  <SCORE.INTRA.POLAR.0>
-0.193517

>  <SCORE.INTRA.REPUL>
0.00823326

>  <SCORE.INTRA.REPUL.0>
0.0768544

>  <SCORE.INTRA.VDW>
-4.5492

>  <SCORE.INTRA.VDW.0>
-0.160838

>  <SCORE.INTRA.norm>
-0.160553

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
59

>  <SCORE.norm>
0.100464

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021521

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  199.5771  210.2053  255.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6231  210.9427  255.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2565  210.2675  253.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2569  211.1260  253.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8969  212.4330  252.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2091  213.2756  253.8744 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1571  214.2621  253.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4029  213.9924  253.9695 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3106  214.9173  253.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0449  216.0541  253.0613 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7693  216.2384  252.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7909  215.3785  252.9931 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3061  217.7292  251.8946 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.4962  218.9341  253.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6485  214.7247  253.9785 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1629  215.2897  255.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5248  214.7181  255.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4121  213.2349  255.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0567  212.5409  254.7224 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8884  211.1494  254.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5419  212.7814  254.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8697  213.7519  253.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-178.80095140,65.02581069,-67.45457804,160.52124911,-98.66819047,-96.38412072
-72.01047708,165.35462478,-65.14449798,65.85694134,-177.97186169,200.53770762
214.03948616,253.92717042,1.33053652,0.31148724,2.83784056

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449430/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.735

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.82

>  <SCORE.INTRA>
-5.66505

>  <SCORE.INTRA.DIHEDRAL>
1.79327

>  <SCORE.INTRA.DIHEDRAL.0>
3.04381

>  <SCORE.INTRA.POLAR>
-1.28464

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.19391

>  <SCORE.INTRA.VDW.0>
0.430122

>  <SCORE.INTRA.norm>
-0.283252

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.536748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  188.2753  213.5784  263.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2691  212.6979  263.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2023  211.8149  263.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0559  210.9240  263.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1979  209.9013  264.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3086  209.6624  265.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2618  209.2635  263.9069 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6431  209.8317  262.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5184  209.4878  262.4819 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4329  210.8841  262.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1392  212.7043  262.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6798  208.6127  264.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-175.80039431,189.54814363,210.97258571,263.48020644,1.50710479,-0.65659444
-0.45626990

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449431/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.35189

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.0481094

>  <SCORE.INTRA.DIHEDRAL>
0.0798385

>  <SCORE.INTRA.DIHEDRAL.0>
0.00477568

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0880287

>  <SCORE.INTRA.VDW.0>
1.37059

>  <SCORE.INTRA.norm>
-0.00437358

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.577445

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002620

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 44 43  0  0  0  0  0  0  0  0999 V2000
  212.4759  186.5959  234.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3189  187.3416  235.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5271  187.4530  236.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3255  188.1153  237.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5593  188.2669  238.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3301  188.8651  239.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5533  188.9904  241.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3321  189.6076  241.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5373  189.6913  243.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4250  190.5089  243.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6751  190.6638  245.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5704  191.4943  245.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8327  191.6697  247.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7310  192.5038  248.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0404  192.7599  249.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9832  193.6734  250.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1733  193.8377  251.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1887  194.8456  252.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5738  195.8538  252.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8498  194.5670  252.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8269  195.4825  252.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7338  196.7714  251.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7968  196.5432  250.2705 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9616  196.7502  249.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0047  197.1345  250.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9064  196.5274  248.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5130  195.0989  247.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6925  194.8179  246.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1689  194.7132  245.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3407  194.3966  244.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8129  194.2303  244.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9777  193.8376  242.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4275  193.4923  242.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5912  193.0959  240.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0399  192.7452  240.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2095  192.3799  239.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6503  191.9918  238.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8440  191.7261  237.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2664  191.2662  237.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4669  191.0157  235.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8941  190.5681  235.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0994  190.3513  233.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5544  193.7308  251.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9604  196.2307  249.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <CHROM.1>
-176.12761699,-178.06356086,-177.17872574,178.85606919,179.16070242,178.16092964
170.76628573,-176.57788588,179.39562686,-179.03771656,179.84230404,-176.18993430
176.21819987,174.04214193,175.03610739,-121.62458459,71.94317852,43.29680257
-100.65510348,-60.11628472,-170.17627092,72.52945967,178.50006200,-177.46352701
176.83664449,-172.50958490,179.83923273,-179.76810018,-178.69175437,-178.43074969
-175.81963968,-176.99475197,-179.32259231,179.43502411,-178.65067944,207.20374489
192.43343850,243.85507939,-0.43550567,-1.00965774,2.23473587

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449432/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
34.2977

>  <SCORE.INTER>
40.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
35

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.961905

>  <SCORE.INTRA>
-6.10232

>  <SCORE.INTRA.DIHEDRAL>
3.23613

>  <SCORE.INTRA.DIHEDRAL.0>
4.65349

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.72039

>  <SCORE.INTRA.VDW.0>
-5.22039

>  <SCORE.INTRA.norm>
-0.145293

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.816611

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005306

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  188.7398  205.1261  270.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8948  204.2838  269.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1778  204.5510  268.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3972  204.2021  267.1099 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9172  204.5948  265.8880 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0814  205.1963  266.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5967  205.3877  267.6223 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.7892  205.6610  264.9255 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4032  205.6191  263.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3271  205.2068  263.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4553  206.1843  262.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2548  207.9822  262.5606 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.3338  208.4792  264.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4320  208.8062  264.8668 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1048  209.0015  266.1884 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8015  208.8243  266.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2538  208.4510  265.1031 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8792  208.1772  264.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0950  207.4854  265.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8424  206.9929  265.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3727  207.1561  264.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1241  207.9129  263.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3507  208.4575  263.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1072  206.4905  263.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0724  208.9993  267.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6590  208.5855  268.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8962  208.4900  269.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5335  208.8070  269.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9736  209.3261  268.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7513  209.4712  267.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6613  208.5527  271.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6677  206.0953  265.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
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M  END
>  <CHROM.1>
-70.07383666,2.15745251,-84.61596887,54.54200553,89.70248770,-38.64112673
144.60139309,190.42429487,207.09657774,266.11370316,1.85036142,0.77016533
1.39347999

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449433/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.76116

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
0.345672

>  <SCORE.INTRA.DIHEDRAL.0>
14.7458

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.81168

>  <SCORE.INTRA.VDW.0>
-3.34077

>  <SCORE.INTRA.norm>
-0.181898

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.218102

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000017

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  199.3616  195.9648  240.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7970  195.2117  241.6700 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6830  197.2734  240.7427 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5126  195.6009  239.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3245  197.6111  241.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.3473  197.9293  240.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.2898  194.6597  239.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <CHROM.1>
0.00000410,199.32491781,196.01036201,240.75440850,-2.32430677,-0.88259489
-0.36127917

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449452/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.92504

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-0.474963

>  <SCORE.INTRA.DIHEDRAL>
-6.72222e-08

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.474963

>  <SCORE.INTRA.VDW.0>
0.417683

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.23126

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.654337

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  199.4868  208.6507  255.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8050  209.7748  254.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6084  210.3379  255.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9501  211.4737  254.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8519  211.9836  255.5672 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1777  213.0117  254.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9917  213.5510  255.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5450  214.1639  256.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6118  214.6562  257.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4051  214.6537  257.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3031  215.3654  258.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1741  214.5074  259.5297 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3058  214.0968  258.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5811  212.7198  258.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7197  212.2090  258.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5946  213.0749  257.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3357  214.4433  257.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1968  214.9531  258.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0023  212.4570  256.8477 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.5224  211.6025  259.6786 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
179.32290578,-179.07307574,-177.61241790,179.27936769,64.49842857,-177.49182695
-3.29996838,-58.77966023,69.07753299,-130.51433347,196.54245671,212.75202718
257.26805429,0.63263962,0.36319117,-2.13016868

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449474/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.08762

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.77

>  <SCORE.INTRA>
-12.3124

>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
21.2963

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.445866

>  <SCORE.INTRA.norm>
-0.615619

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.154381

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  195.7113  203.2706  247.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3028  203.6756  248.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5562  203.0407  250.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1572  203.4382  251.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6171  204.2589  252.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4668  202.7624  251.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2583  201.3526  252.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
179.52540522,104.76651350,-79.09526552,196.28890586,203.11400814,250.68218704
-2.01224831,-0.96453520,1.40879469

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449475/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.40895

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-0.991047

>  <SCORE.INTRA.DIHEDRAL>
0.624959

>  <SCORE.INTRA.DIHEDRAL.0>
2.19206

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.30353

>  <SCORE.INTRA.VDW.0>
1.20376

>  <SCORE.INTRA.norm>
-0.141578

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.05842

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.067598

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  213.6475  195.1402  251.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4194  195.2170  250.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2959  195.9671  250.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1634  196.0868  249.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1633  195.4227  248.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2721  194.6687  248.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3950  194.5718  249.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0683  197.0001  250.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1500  198.0958  251.4971 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9936  199.3954  250.8731 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5560  198.2818  250.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7285  198.8703  249.9477 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0099  198.7354  251.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4626  198.8231  252.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2466  199.5200  252.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9247  199.4151  254.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7883  200.0233  254.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9468  200.7649  253.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2367  200.9047  252.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3728  200.2821  251.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5478  201.5062  254.5618 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.9350  198.5625  255.2813 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.4367  199.1955  249.4938 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.1230  198.8499  249.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7769  197.3953  249.0593 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8 25  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
8.97800361,179.78446779,206.64667343,198.37333434,251.61889446,-0.33676944
-0.52782660,1.69593620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449476/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.49081

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.296

>  <SCORE.INTRA>
-1.90919

>  <SCORE.INTRA.DIHEDRAL>
-4.03356

>  <SCORE.INTRA.DIHEDRAL.0>
4.51049

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.107593

>  <SCORE.INTRA.VDW.0>
-1.34551

>  <SCORE.INTRA.norm>
-0.0763675

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.219632

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001057

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  214.5089  184.2183  247.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9104  184.9276  248.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3862  185.3331  248.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7976  186.0213  249.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2806  186.3980  249.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1933  185.2372  249.6975 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2921  184.3828  250.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4887  183.3976  250.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6651  182.4159  249.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8716  181.7121  249.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8722  181.9854  250.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6924  182.9717  251.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5014  183.6777  251.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0844  184.7795  252.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7428  185.3864  253.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1055  186.4307  254.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8378  186.8708  253.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1980  186.2936  252.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8111  185.2368  252.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7479  183.4545  251.2586 P   0  0  1  0  0  0  0  0  0  0  0  0
  217.7926  182.7713  249.8776 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4260  182.3572  252.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5227  182.8852  253.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1457  182.1464  254.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7155  180.9089  254.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6779  180.4078  253.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0354  181.1324  252.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2882  182.5770  251.5618 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4599  183.2282  252.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2032  182.4202  252.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1112  185.5932  249.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  6  0  0  0
 20 22  1  0  0  0  0
 20 28  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-178.88834535,177.78320666,-59.26622793,-75.21531575,-167.90330570,57.32946623
80.20322809,80.64722241,-179.87385074,218.77540212,183.72326992,251.53780349
-2.65370676,0.30187133,2.38952484

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449477/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4775

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48

>  <SCORE.INTRA>
-3.92249

>  <SCORE.INTRA.DIHEDRAL>
-3.1799

>  <SCORE.INTRA.DIHEDRAL.0>
10.8043

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.33254

>  <SCORE.INTRA.VDW.0>
-4.87331

>  <SCORE.INTRA.norm>
-0.13075

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.34925

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  204.1031  208.0484  252.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4822  208.7099  251.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1414  209.9832  250.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8285  210.0765  249.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9811  211.1958  251.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5488  211.7338  251.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2887  212.9027  252.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4142  212.4745  254.0620 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5217  213.6765  255.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2386  211.5693  254.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3115  210.2928  253.8087 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3094  209.4213  254.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3743  209.6358  254.8502 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4852  208.1372  253.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
110.51088524,-72.61693433,176.17628504,-64.92732438,165.07963168,68.45338680
-179.38943937,0.22278747,202.32167711,210.54787059,252.87998359,0.45669649
-0.73505874,-2.82249034

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449478/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.85191

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.957143

>  <SCORE.INTRA>
-3.54809

>  <SCORE.INTRA.DIHEDRAL>
-1.31535

>  <SCORE.INTRA.DIHEDRAL.0>
3.16755

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.89042

>  <SCORE.INTRA.VDW.0>
2.72875

>  <SCORE.INTRA.norm>
-0.253435

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.703708

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018538

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  191.0417  213.8652  252.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1697  212.9712  253.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9039  211.6033  253.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9963  210.6723  254.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3514  211.0885  255.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6051  212.4353  255.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5084  213.3778  254.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8138  215.0646  255.2989 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.7214  215.1505  256.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9834  215.5185  254.5853 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5379  215.9035  254.7823 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7446  215.5080  255.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
162.68314185,57.81332387,191.46824616,213.73376412,254.74983470,2.37930173
1.35708622,2.60661640

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449479/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.6979

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.702095

>  <SCORE.INTRA.DIHEDRAL>
-1.04686

>  <SCORE.INTRA.DIHEDRAL.0>
2.27779

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.178664

>  <SCORE.INTRA.VDW.0>
-0.699733

>  <SCORE.INTRA.norm>
-0.0638268

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.517991

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003233

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  195.2879  211.6266  259.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7110  210.2818  260.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1611  209.1112  259.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6558  209.2447  258.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1487  210.6525  258.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7696  211.7429  259.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1524  208.2017  257.9805 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2618  207.2802  258.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8349  207.3517  259.7099 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8097  206.1546  257.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0129  205.1283  258.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6470  204.0559  257.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0689  204.0190  256.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8482  205.0575  255.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2249  206.1313  256.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0042  207.1446  255.8570 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4270  208.1011  256.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3860  209.2810  255.7420 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.5015  209.2910  256.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
112.05099392,54.90041999,193.10898117,207.98580464,257.75462993,0.62162424
0.94546981,1.20571852

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449480/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.96415

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-0.435846

>  <SCORE.INTRA.DIHEDRAL>
-0.0692509

>  <SCORE.INTRA.DIHEDRAL.0>
4.38498

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.40122

>  <SCORE.INTRA.VDW.0>
-1.31241

>  <SCORE.INTRA.norm>
-0.0242136

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.386897

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000276

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  213.1446  186.8194  242.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7360  185.8226  243.2845 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.5001  184.4291  243.0770 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0279  184.2980  243.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5665  183.3707  244.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8732  183.5152  244.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6679  184.5741  244.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2144  185.4332  243.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9062  185.2967  242.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8812  184.8307  244.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8372  183.3889  243.8185 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0855  186.4272  244.6218 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3592  186.9046  245.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2637  186.3270  245.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7584  185.0922  246.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7546  184.4794  246.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4935  184.6374  247.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6892  185.1219  248.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3352  186.1707  247.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6354  186.5398  247.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3035  187.5581  247.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6679  188.1968  245.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3700  187.8164  245.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6600  186.8014  246.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0160  184.2118  245.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8509  183.6483  244.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3752  187.1473  244.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  1  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 14 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
66.76265778,-54.89209532,123.60894778,-59.76522025,-4.08804773,-104.45810601
215.80325419,185.54537636,245.10821986,-2.53032442,0.17114796,1.34289459

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449481/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.37936

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-11.7794

>  <SCORE.INTRA.DIHEDRAL>
-5.94676

>  <SCORE.INTRA.DIHEDRAL.0>
8.52355

>  <SCORE.INTRA.POLAR>
-0.769943

>  <SCORE.INTRA.POLAR.0>
-0.0379094

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.18818

>  <SCORE.INTRA.VDW.0>
-0.0436645

>  <SCORE.INTRA.norm>
-0.490807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.09914

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002634

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  206.6391  187.6244  246.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1365  187.6988  246.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4467  186.3696  246.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5228  185.4223  245.3851 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5562  184.4658  245.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5315  184.3056  245.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8638  183.5692  243.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9250  183.6764  243.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8436  182.7115  243.6898 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8485  181.9044  242.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5300  181.9172  241.6622 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3540  181.5240  242.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3213  180.6215  242.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4886  180.7574  243.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0652  181.7258  244.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1903  182.2041  243.7009 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1941  183.1361  240.8805 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6013  184.2462  241.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5709  185.0190  242.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8035  185.4007  241.8432 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3669  184.5337  240.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3020  183.6741  240.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1971  186.7308  241.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6069  187.6570  240.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0133  188.9872  240.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0297  189.4196  241.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6363  188.5184  242.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2223  187.1850  242.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3085  185.4273  244.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9799  182.8256  244.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-83.57123451,5.69672619,-132.01202773,-55.06508404,-131.19626970,-79.81846795
-78.80114782,205.54080325,184.65210371,243.08591945,-0.28272716,0.97158205
2.06719870

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449506/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.98672

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-5.41328

>  <SCORE.INTRA.DIHEDRAL>
0.36462

>  <SCORE.INTRA.DIHEDRAL.0>
4.0145

>  <SCORE.INTRA.POLAR>
-0.539885

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.75998

>  <SCORE.INTRA.VDW.0>
-1.06584

>  <SCORE.INTRA.norm>
-0.193332

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.249526

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000067

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 28  0  0  0  0  0  0  0  0999 V2000
  218.7488  175.9227  248.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5183  177.1876  247.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4116  177.7875  247.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1991  177.5953  247.8222 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2512  177.2393  246.7424 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4493  178.5032  246.3707 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.3478  179.5447  245.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1198  178.9483  244.5401 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.7856  177.7350  244.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9683  176.7020  245.4697 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.9919  176.0206  244.4628 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.6871  175.4750  243.1896 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.6627  174.9288  242.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1009  173.7139  242.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4663  176.4613  242.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2712  174.9719  245.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2356  179.9482  244.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1251  180.7581  243.2281 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3550  179.8419  244.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2544  178.7239  243.4371 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8274  179.0483  247.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7899  177.6414  248.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.7761  173.9286  243.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1826  176.7444  243.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.7002  175.3694  245.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.2302  179.0883  245.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.7868  178.2561  242.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.2331  178.3897  247.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 22  1  0  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  6  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  6  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
M  END
>  <CHROM.1>
-94.58206611,-135.32010608,-59.24504552,-96.79682719,-174.00279438,-179.84266950
-174.97746929,65.32053559,-70.93050379,62.82430400,53.03626970,3.67712738
216.97855003,177.46281087,245.14522223,0.43306463,1.13284304,1.85154832

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449508/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.900833

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-12.3008

>  <SCORE.INTRA.DIHEDRAL>
-9.30155

>  <SCORE.INTRA.DIHEDRAL.0>
13.8298

>  <SCORE.INTRA.POLAR>
-1.35924

>  <SCORE.INTRA.POLAR.0>
-1.56036

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.02865

>  <SCORE.INTRA.VDW.0>
-0.194409

>  <SCORE.INTRA.norm>
-0.585754

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
-0.0428968

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001156

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  191.8081  222.3789  247.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8669  222.9301  249.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3595  224.3852  249.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5123  222.8086  250.0990 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.9875  221.3628  250.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9478  221.2399  249.1533 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.7219  222.4698  248.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4864  223.4582  249.3351 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6856  222.9389  247.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5262  224.3005  247.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5104  224.7205  246.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6559  223.7831  246.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8183  222.4250  246.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8324  222.0017  247.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5850  223.4040  251.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6901  224.4157  251.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8009  225.0208  253.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8042  224.6255  254.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6853  223.6122  253.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5742  223.0038  252.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
57.30621976,123.41541289,179.50031315,189.43573242,223.25893189,249.62358327
-0.84811759,0.32763137,-1.96691764

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449509/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.3006

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.0994011

>  <SCORE.INTRA.DIHEDRAL>
-0.0685473

>  <SCORE.INTRA.DIHEDRAL.0>
0.814998

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0651274

>  <SCORE.INTRA.VDW.0>
0.301839

>  <SCORE.INTRA.norm>
-0.00497006

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.41503

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  198.6546  222.4043  259.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3858  222.9874  259.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2781  222.1309  259.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3953  220.7406  259.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6862  220.1772  259.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7939  221.0229  259.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0245  220.4352  259.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0723  220.2025  259.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2053  221.2760  259.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9344  222.4261  259.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6815  218.7722  260.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9384  218.2820  261.5627 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4110  218.4160  262.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2464  217.5313  261.8381 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7589  219.6092  262.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0852  219.0706  262.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6984  221.1319  259.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5515  223.3623  259.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7045  219.6860  262.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6433  219.8771  262.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9872  218.5299  263.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <CHROM.1>
-0.75579219,74.36044458,-57.63430699,-89.75112981,-91.54944582,-177.61527315
196.50239508,220.29282431,260.61256714,-0.86391615,-0.06019350,2.61767489

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449510/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.25283

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.5875

>  <SCORE.INTRA>
-1.14717

>  <SCORE.INTRA.DIHEDRAL>
1.71533

>  <SCORE.INTRA.DIHEDRAL.0>
1.38847

>  <SCORE.INTRA.POLAR>
-0.270762

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08424

>  <SCORE.INTRA.VDW.0>
-1.32403

>  <SCORE.INTRA.norm>
-0.0716983

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.515802

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000245

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  197.6432  213.1946  267.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1685  213.8815  268.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6955  215.2306  268.7529 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1473  216.2725  268.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1885  216.9337  268.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8212  216.5750  266.9340 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1430  213.0929  267.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7714  212.0559  267.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7499  214.2719  267.0701 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6466  215.3360  269.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.7685  217.4825  266.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6206  215.9929  266.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7251  214.2163  267.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <CHROM.1>
60.29632082,107.76113502,79.30883907,85.22415196,-157.27065160,-178.90786379
198.08473549,214.63587205,267.77061363,0.86570143,-0.56386978,2.89976721

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449511/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.82694

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.15556

>  <SCORE.INTRA>
-6.57306

>  <SCORE.INTRA.DIHEDRAL>
-1.1884

>  <SCORE.INTRA.DIHEDRAL.0>
3.99567

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.57886

>  <SCORE.INTRA.VDW.0>
1.11715

>  <SCORE.INTRA.norm>
-0.73034

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.425215

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020204

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  200.7667  221.4314  251.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7975  220.6195  251.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9500  221.1584  250.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0584  222.4912  249.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0252  223.3017  250.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8706  222.7674  251.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7979  223.5964  252.0695 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9883  220.4028  249.7292 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3125  223.0939  252.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0284  219.5019  250.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-0.05455882,0.07402248,199.91082566,221.96046664,250.92355656,-0.41526496
0.71088127,2.79741872

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449512/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39835

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.675

>  <SCORE.INTRA>
-0.00164792

>  <SCORE.INTRA.DIHEDRAL>
-0.00464389

>  <SCORE.INTRA.DIHEDRAL.0>
0.0046514

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000674023

>  <SCORE.INTRA.VDW.0>
0.605872

>  <SCORE.INTRA.norm>
-0.00020599

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.674794

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008524

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  195.1564  216.7441  254.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8968  217.2289  253.8336 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.7749  216.2373  254.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5799  216.6793  253.4849 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5517  215.8328  253.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3908  214.6508  253.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1912  213.9740  253.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2103  214.4544  253.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4370  215.5457  254.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6398  216.2292  254.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9702  213.8222  253.9730 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9482  214.1835  253.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9978  213.9217  251.9372 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7483  214.8959  253.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5709  218.6091  254.2258 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7669  219.6355  253.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9941  219.4093  251.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6356  218.9935  252.0477 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9060  218.6005  250.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5833  217.5037  250.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5997  217.5758  248.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1704  216.5506  247.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7312  215.4412  248.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7323  215.3589  249.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1584  216.3788  250.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5131  218.1881  251.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9489  216.9565  250.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7154  216.5397  251.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0217  217.3483  252.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5484  218.5836  252.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7823  219.0049  252.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9536  212.8298  254.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.0702  218.8605  255.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
179.16163265,110.81485623,-179.62940837,-82.77414485,-88.95444835,72.56929391
57.04876338,43.65588072,-172.28267695,54.83069874,-138.53655920,-129.20538426
190.30670811,216.62047328,252.34500600,-0.22440247,0.38321004,1.70031266

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449513/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.63161

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56129

>  <SCORE.INTRA>
-7.76839

>  <SCORE.INTRA.DIHEDRAL>
3.18807

>  <SCORE.INTRA.DIHEDRAL.0>
7.50579

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.36242

>  <SCORE.INTRA.VDW.0>
1.38545

>  <SCORE.INTRA.norm>
-0.250593

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.310697

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007158

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 64 66  0  0  0  0  0  0  0  0999 V2000
  200.6317  201.7883  243.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7646  202.1299  242.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1147  202.0013  243.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2574  202.4244  242.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5979  202.1265  243.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7542  202.3422  242.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0775  201.9710  243.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2040  202.0240  242.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5611  201.7075  242.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5407  201.3847  241.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1660  200.1384  240.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0624  198.9107  241.7256 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0532  197.8277  241.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6404  198.3452  241.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0521  198.4372  242.4178 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0954  198.7961  240.1433 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7973  199.3863  240.4055 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.5287  198.5428  240.7699 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4233  199.6513  241.1195 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.2114  200.5535  240.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4115  201.2814  239.6832 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.4243  200.2685  239.1838 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.8566  199.4685  238.1297 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0930  202.3102  238.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1424  203.2434  239.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1564  199.2294  241.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2928  198.2130  240.4778 P   0  0  1  0  0  0  0  0  0  0  0  0
  201.2683  197.8795  241.5757 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6662  199.5318  239.7315 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4291  197.1966  239.3759 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0038  196.8957  237.8962 P   0  0  1  0  0  0  0  0  0  0  0  0
  202.5421  198.1109  237.2175 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0245  195.6839  238.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8181  196.1368  237.0826 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6569  196.8636  236.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6723  197.2004  237.8734 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2338  196.1086  238.8628 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.7592  196.9146  240.0762 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7087  198.1352  240.0330 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0965  198.3393  238.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1634  199.3700  240.6109 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4714  200.2798  239.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9382  201.3817  240.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0870  201.6663  241.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6095  202.6711  242.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7867  200.7205  242.4829 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3119  199.5499  241.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8703  198.7460  242.7262 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3675  197.2442  239.9452 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2621  195.1955  239.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7244  197.5683  241.8479 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3118  196.2651  241.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5099  195.9764  240.7717 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9161  195.2363  242.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3704  198.3583  241.9004 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6574  200.0472  237.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5598  203.7084  239.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9051  199.3453  239.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6951  195.9148  238.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8982  200.8750  243.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0543  197.6701  240.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7058  194.8674  238.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8160  197.8841  242.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2904  197.5987  242.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  1  0  0  0
 19 20  1  0  0  0  0
 19 26  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  6  0  0  0
 22 23  1  6  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  1  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  6  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 59  1  0  0  0  0
 34 35  1  0  0  0  0
 36 35  1  1  0  0  0
 36 40  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 50  1  1  0  0  0
 38 39  1  0  0  0  0
 38 49  1  6  0  0  0
 39 40  1  0  0  0  0
 39 41  1  6  0  0  0
 41 47  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 60  1  0  0  0  0
 47 48  2  0  0  0  0
 49 61  1  0  0  0  0
 50 62  1  0  0  0  0
 51 52  1  0  0  0  0
 51 63  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 55 64  1  0  0  0  0
M  END
>  <CHROM.1>
-176.47926588,-173.22558797,171.54369191,-177.16062486,173.03686004,178.01687838
163.73369634,-63.82963637,-57.65908611,150.22287537,-66.63278760,177.96667602
-76.76280829,-174.01370275,-72.54847805,-130.34883532,-59.72208101,62.13854469
-178.24510884,62.96982535,168.92492343,-164.22654748,49.46518909,-43.53671991
-54.85707871,69.47357827,-73.31582619,-48.02102924,-49.05998306,173.96421461
-90.50067084,-18.20232555,203.34749747,199.16032602,240.61249988,2.95882054
0.05377071,-2.58186597

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449514/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.9756

>  <SCORE.INTER>
30.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
25

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552727

>  <SCORE.INTRA>
-17.4244

>  <SCORE.INTRA.DIHEDRAL>
-2.56658

>  <SCORE.INTRA.DIHEDRAL.0>
20.4246

>  <SCORE.INTRA.POLAR>
-1.58484

>  <SCORE.INTRA.POLAR.0>
-0.797575

>  <SCORE.INTRA.REPUL>
0.0053813

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.7795

>  <SCORE.INTRA.VDW.0>
-5.37451

>  <SCORE.INTRA.norm>
-0.316807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
0.23592

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010919

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  214.2573  178.7766  242.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3699  179.1335  241.4771 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2436  178.0203  241.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4306  178.4528  240.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1830  179.5285  241.0606 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2661  180.0235  240.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9313  181.2470  240.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9596  182.2885  241.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5381  183.4442  241.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6163  179.1861  241.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
-179.55129690,60.22958232,-175.81478880,173.77803771,-60.46881710,-179.90009576
217.66616870,180.12813094,241.15128293,2.50712133,-0.37992794,-2.81864366

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449515/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1691

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.26667

>  <SCORE.INTRA>
-0.230853

>  <SCORE.INTRA.DIHEDRAL>
0.0397148

>  <SCORE.INTRA.DIHEDRAL.0>
0.0581983

>  <SCORE.INTRA.POLAR>
0.00351302

>  <SCORE.INTRA.POLAR.0>
-0.00351302

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.262655

>  <SCORE.INTRA.VDW.0>
-0.597915

>  <SCORE.INTRA.norm>
-0.0256504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.24102

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.090108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 53 56  0  0  0  0  0  0  0  0999 V2000
  203.7555  209.3932  245.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9899  208.3837  246.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5980  207.2074  246.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9942  207.0156  246.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7393  208.0539  246.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1276  209.2185  245.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6284  205.8638  247.6340 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.3717  204.7495  246.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5800  205.0582  245.9638 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.8110  205.3796  246.7522 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.4829  204.4200  247.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6697  203.8745  246.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1074  202.5910  247.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3331  201.8561  248.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3114  202.4734  248.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8829  203.7548  248.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2056  200.0916  248.0201 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.4332  199.8498  246.8178 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6084  199.6783  248.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4181  199.2469  249.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0384  199.0383  249.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3261  198.6982  250.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9543  198.5753  251.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3644  198.6488  251.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1023  198.9858  250.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3172  198.5249  252.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9041  198.3180  253.4300 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7564  197.2929  254.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3014  197.6749  255.9391 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5131  197.1073  257.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2483  195.7307  257.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3550  195.2118  258.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7309  196.0567  259.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0415  197.4128  259.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9385  197.9300  258.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0293  197.0011  256.0663 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.7566  197.6270  254.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5231  197.3744  257.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8873  195.5253  255.8674 O   0  5  0  0  0  0  0  0  0  0  0  0
  205.1356  199.9724  253.8809 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.0921  200.5565  254.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1172  200.6552  252.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8213  199.6661  254.4257 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.8561  203.4435  244.9808 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.0440  203.7586  244.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0244  202.4213  246.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6349  203.3441  244.1741 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.4792  206.3673  249.1762 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.5187  205.1754  250.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8526  206.7431  248.8296 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6937  207.4391  249.7892 O   0  5  0  0  0  0  0  0  0  0  0  0
  208.5107  206.1623  247.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9169  198.2844  253.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  6  0  0  0
  7 48  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  1  0  0  0
 27 40  1  0  0  0  0
 29 28  1  6  0  0  0
 29 30  1  0  0  0  0
 29 36  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  2  0  0  0  0
 40 43  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  2  0  0  0  0
 44 47  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  2  0  0  0  0
 48 51  1  0  0  0  0
M  CHG  4  39  -1  43  -1  47  -1  51  -1
M  END
>  <CHROM.1>
118.68399181,58.44108493,157.58947305,74.41768336,68.67176388,-177.17014662
102.45279752,-69.57989993,91.35212261,14.06837265,130.92775959,71.81765706
-55.43368847,146.57638087,52.27246323,59.01588147,207.17445915,201.54745429
250.59159642,1.49220280,0.72526729,-0.80362385

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449516/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6611

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.419608

>  <SCORE.INTRA>
-9.73892

>  <SCORE.INTRA.DIHEDRAL>
0.819705

>  <SCORE.INTRA.DIHEDRAL.0>
11.6609

>  <SCORE.INTRA.POLAR>
-2.19969

>  <SCORE.INTRA.POLAR.0>
-0.0735148

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.66982

>  <SCORE.INTRA.VDW.0>
-10.0507

>  <SCORE.INTRA.norm>
-0.190959

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
51

>  <SCORE.norm>
0.228649

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001177

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  214.2201  192.9783  243.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0173  191.8202  242.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8363  192.0620  242.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5547  191.0694  241.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2258  190.0346  241.1092 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2574  191.2763  240.4150 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.0801  191.1524  241.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9520  192.4376  242.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0598  193.6280  241.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2341  193.4991  239.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2703  192.5261  239.6018 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9871  194.8607  242.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8375  194.8891  243.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7392  193.7000  244.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7866  192.4702  243.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7932  196.1807  244.1922 N   0  3  0  0  0  0  0  0  0  0  0  0
  209.8857  197.2092  243.5067 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6653  196.1681  245.4248 O   0  5  0  0  0  0  0  0  0  0  0  0
  211.1754  192.2880  238.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <CHROM.1>
-179.38698665,2.06139714,-67.87704295,211.07488871,193.24485352,242.39040017
-1.01778765,-0.56466571,0.87215911

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449517/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.80869

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-4.59131

>  <SCORE.INTRA.DIHEDRAL>
-8.97999

>  <SCORE.INTRA.DIHEDRAL.0>
9.911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.000257816

>  <SCORE.INTRA.REPUL.0>
0.000257816

>  <SCORE.INTRA.VDW>
-0.100021

>  <SCORE.INTRA.VDW.0>
-0.383828

>  <SCORE.INTRA.norm>
-0.255073

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.211594

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000499

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  214.8315  188.5561  241.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6566  187.8221  242.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6895  186.8962  242.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5055  186.1628  243.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2390  184.8866  243.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2133  184.5649  244.7352 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1358  185.5876  244.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7018  186.6203  244.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3374  187.9651  243.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9155  189.0114  244.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2561  185.4019  245.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4335  184.3718  246.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0708  186.4871  245.8512 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2092  186.4119  246.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0458  187.6825  246.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1478  183.9364  243.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2807  183.6901  245.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
-179.76946471,95.62228755,0.73926210,95.63496968,179.59584930,-179.94517999
218.74386551,186.41490376,244.52131359,-2.95019271,0.54278032,2.93425156

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449518/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.69131

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7125

>  <SCORE.INTRA>
-1.70869

>  <SCORE.INTRA.DIHEDRAL>
-2.17136

>  <SCORE.INTRA.DIHEDRAL.0>
4.77417

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.623015

>  <SCORE.INTRA.VDW.0>
-1.17473

>  <SCORE.INTRA.norm>
-0.106793

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.605707

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000315

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  208.0304  210.2071  248.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2748  211.5142  248.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5070  212.0748  249.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4936  211.3290  250.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2425  210.0203  250.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0145  209.4626  249.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7016  211.9863  251.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9398  213.1447  251.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7206  211.2355  252.2283 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8723  211.7659  253.3012 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3985  211.3932  253.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3970  211.9971  254.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4441  213.5016  253.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5427  214.1476  253.4584 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4919  214.0834  254.6293 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4024  211.1764  254.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1396  210.1979  254.6662 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9897  211.8244  255.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6288  210.2434  252.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1298  213.5610  255.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5248  215.0924  254.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3311  211.4569  256.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  6  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <CHROM.1>
0.03894999,134.86540345,-174.57630696,-17.27632260,60.22314070,106.69351210
-179.56256028,204.66919972,211.77102230,252.37386642,0.46746064,0.66232314
-1.08517315

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449519/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.89784

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-2.50216

>  <SCORE.INTRA.DIHEDRAL>
-2.90578

>  <SCORE.INTRA.DIHEDRAL.0>
6.54072

>  <SCORE.INTRA.POLAR>
-0.116323

>  <SCORE.INTRA.POLAR.0>
-0.883677

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.653772

>  <SCORE.INTRA.VDW.0>
-1.31614

>  <SCORE.INTRA.norm>
-0.139009

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.494325

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.169840

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  201.4502  214.8246  260.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8004  215.4410  261.5155 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8845  214.6343  262.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1993  215.2112  263.5724 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1926  216.9072  261.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3764  217.2737  260.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5945  218.6374  260.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7541  219.6352  260.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5976  219.2748  261.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3306  217.9067  261.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2527  220.8650  260.6212 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3668  220.5805  259.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6385  219.2365  259.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3382  221.4948  259.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4905  221.0324  258.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4219  221.9323  258.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2105  223.3033  258.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0643  223.7792  258.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1342  222.8807  259.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3474  215.2951  264.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5534  216.1596  263.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-178.96199926,-67.50191425,55.44079143,179.26817012,203.87711030,219.10799154
260.45629364,-2.13585960,0.46578697,-0.13739283

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449520/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72729

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-0.672705

>  <SCORE.INTRA.DIHEDRAL>
0.0277104

>  <SCORE.INTRA.DIHEDRAL.0>
0.790925

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.68656

>  <SCORE.INTRA.VDW.0>
-0.216305

>  <SCORE.INTRA.norm>
-0.0354055

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.459331

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002376

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  192.9706  206.6285  257.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6645  206.2716  255.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4410  207.4548  255.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.2159  205.3767  258.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5707  205.8050  259.9362 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.2437  207.1929  254.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <CHROM.1>
-179.89003525,-179.93985538,-179.68820949,193.08923047,206.22687711,257.86648249
-3.06519194,1.34659330,-2.92934059

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449521/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.13346

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.48

>  <SCORE.INTRA>
-0.266541

>  <SCORE.INTRA.DIHEDRAL>
-0.00144022

>  <SCORE.INTRA.DIHEDRAL.0>
0.00197937

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.265821

>  <SCORE.INTRA.VDW.0>
-0.0408897

>  <SCORE.INTRA.norm>
-0.0533083

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.42669

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012651

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 37  0  0  0  0  0  0  0  0999 V2000
  222.3637  190.9342  245.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9734  190.4224  245.6554 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.0290  188.9660  246.1424 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.6199  188.8915  247.5580 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.9031  189.8603  248.5042 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.9797  191.2919  247.9127 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.3356  191.2716  246.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3325  192.2045  248.8159 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2614  192.8100  249.7318 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.6280  194.0642  250.3781 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.6382  193.6774  251.4877 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.3036  192.7211  252.4860 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.8541  191.4938  251.7477 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.7687  191.8938  250.7085 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6443  190.5560  252.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1230  189.3666  252.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.8074  188.4119  251.4602 P   0  0  0  0  0  0  0  0  0  0  0  0
  221.7418  187.4660  250.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5589  187.7810  252.9398 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4919  187.4572  250.8678 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3421  193.4600  253.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.2019  194.8491  252.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0074  194.8904  249.3828 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5383  189.3994  248.6321 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5133  187.5360  248.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8100  188.1611  245.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3049  192.2876  244.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9370  188.3015  253.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.3844  187.8195  249.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.9482  194.2471  253.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.7045  195.3888  251.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.7203  195.7043  249.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.1299  189.4748  247.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.9086  187.5268  248.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.3532  188.1868  244.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.2107  192.5445  244.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  6  0  0  0
  4  5  1  0  0  0  0
  4 25  1  1  0  0  0
  5  6  1  0  0  0  0
  5 24  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  6  0  0  0
 11 12  1  0  0  0  0
 11 22  1  1  0  0  0
 12 13  1  0  0  0  0
 12 21  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
 27 36  1  0  0  0  0
M  END
>  <CHROM.1>
-179.49424643,179.54722087,-61.98549776,179.32617220,-64.04638564,93.63896309
163.04984019,-173.67802002,64.56272814,56.75497380,177.17769587,-61.37991776
170.90533686,89.71535736,-70.63416807,220.91244438,190.69672299,249.54268931
0.22071085,1.42778417,-0.69116331

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449546/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.76954

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-17.1695

>  <SCORE.INTRA.DIHEDRAL>
-15.0765

>  <SCORE.INTRA.DIHEDRAL.0>
23.0668

>  <SCORE.INTRA.POLAR>
-1.66081

>  <SCORE.INTRA.POLAR.0>
-0.393648

>  <SCORE.INTRA.REPUL>
-0.0743854

>  <SCORE.INTRA.REPUL.0>
0.0743854

>  <SCORE.INTRA.VDW>
-3.61258

>  <SCORE.INTRA.VDW.0>
-0.818473

>  <SCORE.INTRA.norm>
-0.635909

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
-0.213687

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006131

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  177.4806  211.9939  252.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5728  212.4180  254.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5670  211.5320  254.9288 C   0  0  1  0  0  0  0  0  0  0  0  0
  178.9385  211.9700  256.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8865  210.8547  257.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1962  210.5465  256.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0016  209.7085  255.0898 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.0943  208.2481  255.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5198  207.7306  255.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4088  208.1033  254.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4152  209.5257  254.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0006  210.0606  254.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7631  213.2986  256.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0656  213.8419  257.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8374  214.9963  257.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3344  215.6397  256.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0644  215.1240  255.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2967  213.9627  255.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6361  212.0462  257.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.9749  210.8873  257.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.6849  210.9542  258.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.0538  212.1844  258.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.7387  213.3513  258.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.0190  213.2842  257.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.0692  210.1844  254.8918 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.8060  209.5984  255.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
171.29944294,175.94727459,163.34769331,57.53390755,175.27973990,73.65481157
-76.98001073,-90.34681182,179.51796726,211.59904255,256.03331918,2.44538990
0.27582463,0.26947215

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449547/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0699

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-2.33006

>  <SCORE.INTRA.DIHEDRAL>
3.27045

>  <SCORE.INTRA.DIHEDRAL.0>
2.66474

>  <SCORE.INTRA.POLAR>
-0.719605

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.51863

>  <SCORE.INTRA.VDW.0>
-1.18625

>  <SCORE.INTRA.norm>
-0.0932025

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.402798

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015970

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  183.4210  221.8598  257.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7269  222.8665  256.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9158  223.0965  255.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9088  224.1655  254.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8527  224.8855  254.3796 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6770  224.6477  255.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6519  225.2801  254.8115 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6470  223.6334  255.9400 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0725  224.4201  253.9177 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0742  223.5114  253.8224 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2484  223.9433  253.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3714  222.9950  253.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1244  221.6210  253.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1966  220.7254  253.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4973  221.2141  253.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7443  222.5775  253.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6788  223.4738  253.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5728  220.3772  253.2787 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1435  222.3205  256.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0660  221.1108  256.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3031  223.0733  256.2456 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5953  222.5385  256.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6936  223.4009  256.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9831  222.8883  256.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1772  221.5117  256.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1034  220.6470  256.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8251  221.1584  256.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4117  220.9585  257.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.7413  223.5105  256.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.1661  225.3318  253.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2591  219.4653  253.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2200  224.0844  256.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0675  221.6702  257.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
M  END
>  <CHROM.1>
44.65538214,20.51064417,-159.19338597,7.46541684,-1.30104348,178.84608023
0.69337080,187.68689375,222.66179548,255.16483092,3.08153293,0.29464440,-1.11676664

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449549/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.01617

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-3.38383

>  <SCORE.INTRA.DIHEDRAL>
3.12994

>  <SCORE.INTRA.DIHEDRAL.0>
6.11427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.9488

>  <SCORE.INTRA.VDW.0>
1.15776

>  <SCORE.INTRA.norm>
-0.120851

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.250578

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000063

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  206.6404  214.0858  243.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2151  212.6389  244.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5400  211.7628  243.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0897  212.1851  245.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7206  212.5101  244.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1790  211.3048  245.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8148  211.1900  245.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9403  212.2754  245.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4624  213.4443  244.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8262  213.5736  244.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5276  212.1767  245.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8729  211.0305  245.8639 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5506  211.2983  246.0899 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3990  212.5985  246.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6323  213.2292  245.9804 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9434  214.6225  246.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1307  215.0264  246.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4459  216.3822  246.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5511  217.3517  246.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3654  216.9670  245.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0777  215.6117  245.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8779  213.4039  246.3965 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.6487  212.0819  246.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4656  211.6284  244.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5003  211.9544  244.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4299  210.8215  244.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1428  210.6507  244.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-172.87371693,-22.22480562,-12.00018338,-36.17484917,-72.20307867,-103.57458975
-1.12501932,200.67594984,213.09004251,245.39667000,-0.01179730,0.10901008
0.28428234

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449550/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.81798

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-8.58202

>  <SCORE.INTRA.DIHEDRAL>
-1.9529

>  <SCORE.INTRA.DIHEDRAL.0>
10.8086

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.20556

>  <SCORE.INTRA.VDW.0>
4.19716

>  <SCORE.INTRA.norm>
-0.330078

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.108384

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001443

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  239.3420  182.5843  248.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  239.5811  183.3224  249.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
  238.5541  183.5273  250.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
  237.2629  183.0058  250.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
  237.0564  182.2396  249.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
  238.0819  182.0381  248.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  236.2042  183.2641  251.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
  234.9392  182.7193  251.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.5305  181.9340  250.2612 O   0  0  0  0  0  0  0  0  0  0  0  0
  234.0379  183.1514  252.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.7522  182.7739  252.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.7902  183.1797  253.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.1319  184.1028  254.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.2180  184.4763  255.1562 N   0  3  0  0  0  0  0  0  0  0  0  0
  231.4867  185.1561  255.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
  229.9650  183.9943  255.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.5749  183.0701  254.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.4957  182.6594  253.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
  234.8751  184.1210  253.3310 S   0  0  0  0  0  0  0  0  0  0  0  0
  236.3813  184.0246  252.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  237.3659  184.6126  252.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 20  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
-177.76244958,5.22684839,234.81482450,183.31158307,251.97798180,0.51227575
-0.26138655,-2.15563844

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449551/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.39993

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-5.00007

>  <SCORE.INTRA.DIHEDRAL>
-14.3546

>  <SCORE.INTRA.DIHEDRAL.0>
14.4536

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.17723

>  <SCORE.INTRA.VDW.0>
-0.83001

>  <SCORE.INTRA.norm>
-0.250004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.119996

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000976

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  200.2521  193.6255  252.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9312  194.0186  253.5021 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2511  194.4427  254.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0416  194.5395  254.7927 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3033  194.7680  255.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5863  194.4630  254.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3145  194.0293  253.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3321  193.6948  252.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6512  193.8029  253.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9419  194.2288  254.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8869  194.5700  255.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3338  194.3189  255.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7293  194.7291  256.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4377  194.7218  256.4063 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.5335  194.1531  254.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3726  193.9544  254.1889 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8762  193.8843  254.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0221  194.7811  253.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1197  194.6184  252.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5910  195.7996  251.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6751  195.7595  250.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2961  194.5346  249.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8362  193.3539  250.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7481  193.3939  251.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
179.66317134,-117.24937214,-62.97835902,137.12839331,205.54859218,194.36221340
253.72384308,2.99706471,0.03815011,1.52357302

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449553/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.28694

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-2.11306

>  <SCORE.INTRA.DIHEDRAL>
-2.10268

>  <SCORE.INTRA.DIHEDRAL.0>
5.82542

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.06172

>  <SCORE.INTRA.VDW.0>
0.090845

>  <SCORE.INTRA.norm>
-0.088044

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.303623

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002304

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  209.8134  202.7338  253.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1742  201.4899  253.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9172  200.3273  253.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3054  200.3837  253.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9387  201.6535  253.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1836  202.8095  253.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0667  199.0653  253.8357 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7904  198.8479  252.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1128  198.9553  252.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1189  198.8638  250.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8144  198.6567  250.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0022  198.6214  251.4394 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9752  198.9043  254.9719 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2848  198.7083  256.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5825  199.9029  256.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3395  200.0225  256.5231 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7362  201.2733  256.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3599  201.4191  256.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7807  202.6649  256.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5817  203.7560  257.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9726  203.6385  257.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5299  202.4005  256.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9876  202.1149  256.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8152  202.8866  256.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2815  200.9132  257.5533 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.9733  201.2016  258.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6097  201.3970  259.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7681  200.5025  259.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2400  202.6532  259.9837 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5249  199.7551  255.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.8374  203.4651  259.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.2750  202.7895  260.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  1  0  0  0
  8 12  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 15 16  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <CHROM.1>
102.60623611,104.69680247,72.08662023,-73.27921290,89.32552675,-48.22763470
61.47734066,211.15629888,200.91789039,255.47366992,1.07221011,0.72905569
-1.65405977

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449570/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03115

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-1.9258

>  <SCORE.INTRA.DIHEDRAL.0>
6.32013

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.40595

>  <SCORE.INTRA.VDW.0>
-4.32187

>  <SCORE.INTRA.norm>
-0.219615

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.207971

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000338

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  205.4436  220.2889  248.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4844  219.6518  248.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9755  220.4573  249.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6822  220.9829  249.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1473  221.8891  250.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8886  222.1620  251.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1412  221.5605  252.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7054  220.6955  251.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9081  220.1309  251.4835 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0947  218.7280  251.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6469  221.9292  253.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0121  222.3031  253.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7673  222.3680  250.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8531  222.1663  249.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4403  222.5172  249.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9653  222.9537  251.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6944  222.2591  248.8550 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3607  222.3683  248.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2116  222.5338  249.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0157  222.7410  248.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9922  222.8214  247.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1534  222.6015  246.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3525  222.3097  247.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6021  221.9597  246.6594 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3398  221.8670  247.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0061  221.5117  248.0364 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
103.41341740,-6.16135885,-135.30285589,-50.45646629,200.70315280,221.63742122
249.68422465,-0.25109117,0.30460872,-1.95115492

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449571/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.37931

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
4.22074

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.168435

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000141

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  221.7998  179.5513  238.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1810  179.1531  240.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0397  179.2589  240.9192 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3245  178.9046  242.2874 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.0157  178.8738  243.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3508  179.5423  244.7385 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.2508  180.9884  244.6797 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5490  178.8183  245.7043 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8964  179.1650  244.9953 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7261  179.4672  244.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3493  179.7669  242.8043 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1891  179.5682  244.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0883  179.9361  243.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4461  180.1020  243.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9111  179.9001  244.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0250  179.5176  245.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6708  179.3466  245.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8559  179.6741  242.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5397  177.4099  243.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-179.60155153,-173.05761524,-178.08153855,222.12546961,179.42655762,243.47518716
-2.79522050,0.10076897,1.55396391

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449572/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27193

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-0.128069

>  <SCORE.INTRA.DIHEDRAL>
-0.509383

>  <SCORE.INTRA.DIHEDRAL.0>
0.936115

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.126622

>  <SCORE.INTRA.VDW.0>
-0.682929

>  <SCORE.INTRA.norm>
-0.00674049

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.435365

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025563

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  201.6617  195.4724  247.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9093  196.2487  246.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6646  196.5688  245.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7866  197.6475  247.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2822  195.1003  246.9247 P   0  0  0  0  0  0  0  0  0  0  0  0
  205.4010  196.0951  246.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1733  195.5952  248.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7592  194.5373  249.7164 P   0  0  0  0  0  0  0  0  0  0  0  0
  202.5797  192.6598  249.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9253  192.1671  248.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8631  190.8024  248.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4636  189.8894  249.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0552  190.3417  250.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0771  191.7092  250.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6227  194.7766  251.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7087  194.7352  252.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4880  194.9053  253.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1886  195.1216  254.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1180  195.1643  253.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3299  195.0025  252.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6552  193.9519  247.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3256  192.7649  248.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0401  193.3121  245.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9872  194.5381  247.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
173.70453463,83.25530510,177.28412489,50.83306908,-82.78716918,-48.33246946
203.39218375,194.23611255,249.01693921,0.33806393,1.22199482,-0.14143839

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449573/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-4.31265

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.475

>  <SCORE.INTRA>
-15.7126

>  <SCORE.INTRA.DIHEDRAL>
-7.21684

>  <SCORE.INTRA.DIHEDRAL.0>
18.385

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-12.1042

>  <SCORE.INTRA.VDW.0>
20.7424

>  <SCORE.INTRA.norm>
-0.654694

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
-0.179694

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019342

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  200.9392  210.6348  255.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0317  211.8690  255.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2574  211.9983  256.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3497  213.2310  256.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6442  213.2890  257.9763 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4745  213.2819  257.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3048  213.2742  257.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7154  210.5073  254.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6184  209.2713  254.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3183  209.2089  252.7613 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4882  209.2119  252.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6575  209.2155  252.9618 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-179.88473127,-179.84906887,-179.89360620,-179.94656173,-121.84898019,179.49028190
121.83121447,200.48328179,211.24938162,255.36875562,0.67709942,-0.05370359
-2.35536017

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449575/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
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>  <SCORE>
10.0643

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.838694

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019804

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  204.1924  195.0754  240.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7875  195.9040  241.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6585  195.2649  242.3059 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1703  195.8904  243.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5876  196.9647  243.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9411  195.1437  243.9692 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6254  195.7116  243.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7717  196.3716  244.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4888  196.7538  243.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0374  196.4807  242.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8868  195.8582  241.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1759  195.4913  242.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0486  193.7432  243.5271 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0504  192.7861  243.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9546  192.8382  244.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8529  191.9796  244.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8698  190.9988  243.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9418  190.0371  242.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5860  189.7668  243.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0204  188.6166  242.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7930  187.7437  241.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1318  188.0298  241.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6564  189.2069  241.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9081  189.7185  241.7493 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0176  190.8337  242.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1105  191.7102  242.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7708  193.5797  245.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7585  193.6751  246.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8478  193.5954  242.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 26  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 17 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
179.85675508,3.71859362,-94.97724854,-111.44687704,-164.64852984,-26.16003068
-47.40679172,199.27832810,193.14482897,243.07391634,-0.88601271,-0.37807896
-2.76633493

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449576/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.40985

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
0.702027

>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.157495

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000203

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  199.0270  223.0399  247.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4792  221.6595  247.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5972  221.3135  246.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0887  220.0471  246.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4407  218.9623  247.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8498  217.8095  247.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2943  219.3670  248.2015 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7912  220.6831  248.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7824  220.9460  248.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5301  218.3828  248.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2130  220.1342  246.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3046  221.4650  245.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3216  222.1726  246.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2633  221.9318  244.6852 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1248  223.1603  244.4324 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0204  223.7477  243.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0083  223.0260  242.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6613  223.8807  242.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1292  225.1449  242.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5047  226.3220  241.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7913  227.4856  241.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7423  227.4665  242.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3777  226.2791  243.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0831  225.0892  243.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4004  221.7615  242.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0614  219.0041  245.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4659  219.0158  244.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5518  219.3760  243.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9439  219.4496  241.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2547  219.1579  241.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1675  218.7427  242.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7693  218.6519  243.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6446  219.2914  240.1927 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.4440  223.6172  241.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8162  221.3226  243.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 35  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
136.85397732,179.50870868,2.01077809,0.59882265,-40.58372834,202.56934820
221.56696628,244.65386054,2.61907067,-0.83125883,3.12876287

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449577/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.64469

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284848

>  <SCORE.INTRA>
-11.0447

>  <SCORE.INTRA.DIHEDRAL>
-15.9

>  <SCORE.INTRA.DIHEDRAL.0>
18.7817

>  <SCORE.INTRA.POLAR>
-0.679593

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.784056

>  <SCORE.INTRA.VDW.0>
-2.40334

>  <SCORE.INTRA.norm>
-0.334688

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
-0.0498391

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000577

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  223.0981  175.4021  244.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6902  174.8325  246.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8507  175.3874  246.9057 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3154  176.6025  246.4877 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2740  176.9591  247.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5708  176.3047  248.1736 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3543  175.6983  247.8958 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.1185  174.3482  247.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0327  173.6533  247.8566 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7831  174.2046  248.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5994  175.5011  248.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3296  176.0629  248.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1916  175.3002  248.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3624  173.9392  248.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6338  173.4126  248.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8238  175.9224  248.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6496  176.6108  249.8298 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.5481  176.8084  247.6683 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.8242  174.9991  248.6240 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.5281  173.4078  247.2031 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.5784  178.5185  246.7727 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.2920  173.5235  246.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9666  172.9253  247.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5461  171.6977  247.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4118  171.1097  247.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6698  171.7796  245.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1303  172.9717  245.5528 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.5880  176.8141  249.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.6702  176.3374  247.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.3849  174.4193  247.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.4745  178.7944  245.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-179.70841234,165.11771194,-102.53231531,-0.60290885,102.48816170,156.21540312
9.12410742,-14.16672800,-49.22149065,218.28252253,174.93261509,247.49480073
-0.15588447,0.21863345,-0.13718800

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449586/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4607

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-3.93931

>  <SCORE.INTRA.DIHEDRAL>
-4.60606

>  <SCORE.INTRA.DIHEDRAL.0>
7.80832

>  <SCORE.INTRA.POLAR>
-0.929561

>  <SCORE.INTRA.POLAR.0>
-0.419858

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.52423

>  <SCORE.INTRA.VDW.0>
-4.28213

>  <SCORE.INTRA.norm>
-0.1459

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.387433

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000208

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  189.2642  222.1362  259.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1788  221.1125  260.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6160  219.7054  259.9524 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1718  219.2063  261.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6160  219.5957  261.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5249  218.8623  259.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0118  217.6133  258.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7001  217.9903  257.4473 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9197  218.5987  257.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9482  218.0163  258.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1754  218.6651  258.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3872  219.9076  257.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3617  220.5091  257.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1137  219.8768  257.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0627  220.5883  256.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
88.06876312,-79.64307737,150.48793197,-66.93779167,69.69765407,55.18284099
189.68178408,219.50582575,258.77303762,-2.26558481,-0.31676751,-1.96319815

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449587/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.29087

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-4.10913

>  <SCORE.INTRA.DIHEDRAL>
5.77206

>  <SCORE.INTRA.DIHEDRAL.0>
1.19243

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.99516

>  <SCORE.INTRA.VDW.0>
4.90736

>  <SCORE.INTRA.norm>
-0.273942

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.486058

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000495

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  210.3687  181.1847  238.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7627  180.3551  239.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1256  180.4221  240.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1118  181.3390  240.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7011  182.1593  239.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3308  182.0942  238.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4295  181.5717  241.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5614  180.9801  243.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2467  181.9231  244.1789 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.7632  181.7903  244.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8212  182.8052  244.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4876  182.4579  244.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1039  181.1096  243.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0633  180.0968  243.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3839  180.4884  243.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5428  179.8615  243.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6353  178.7062  242.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1291  181.3160  245.7964 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-2.07545793,208.10498280,181.16541428,243.05369301,-1.17453624,-0.05553081
1.56823195

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449588/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.58577

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.355556

>  <SCORE.INTRA>
-0.814232

>  <SCORE.INTRA.DIHEDRAL>
-1.71387

>  <SCORE.INTRA.DIHEDRAL.0>
1.72239

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0427012

>  <SCORE.INTRA.VDW.0>
-0.552883

>  <SCORE.INTRA.norm>
-0.0452351

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.31032

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020594

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  228.1014  200.4964  241.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0475  201.3129  240.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.5129  202.5540  240.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2108  202.7818  240.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6035  204.0203  240.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2832  205.0142  241.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5965  204.7999  241.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2674  203.6011  241.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.7148  203.4489  241.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.5934  204.3270  242.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2698  205.6476  242.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0078  206.7282  243.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
  231.9577  203.9379  242.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.0652  203.5946  242.4557 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <CHROM.1>
-106.13194306,179.74444360,228.78661375,203.66626345,241.67897966,-2.73122315
-0.26010432,0.20864725

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449589/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.89958

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-1.50042

>  <SCORE.INTRA.DIHEDRAL>
-3.39925

>  <SCORE.INTRA.DIHEDRAL.0>
7.94295

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.199211

>  <SCORE.INTRA.VDW.0>
-0.348053

>  <SCORE.INTRA.norm>
-0.107173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.421399

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000697

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  188.3732  218.3986  260.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1995  218.9056  262.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5934  218.0397  262.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2654  217.6055  262.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7279  216.6980  263.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5075  216.2181  264.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8284  216.6351  264.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3815  217.5478  263.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7178  217.9789  264.1076 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8097  217.1972  263.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9523  216.0305  264.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7589  217.8366  262.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8039  219.1279  262.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8957  219.3447  261.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6911  218.2039  261.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1428  216.9454  262.4001 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.8213  218.0476  260.6948 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.3390  217.1737  260.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2274  218.9915  259.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4974  220.1732  259.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3274  220.3996  260.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5792  221.6644  260.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1748  221.6993  260.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4770  222.8956  260.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1777  224.0690  259.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5636  224.0714  259.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2580  222.8832  260.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5104  225.2063  259.6420 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.3825  218.6853  259.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1734  217.5508  258.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2495  217.6639  258.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2405  218.8718  257.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9479  219.8641  257.8843 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.9078  220.0657  262.7346 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8492  218.9853  264.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.1866  221.0359  262.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.9282  220.0272  262.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 29 33  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
-65.49220540,-103.72557541,-49.68302675,4.65292988,140.51105962,-2.16620626
-38.49165894,192.03872832,219.23535597,261.22454463,2.72429337,-0.40802089
2.74279938

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449590/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.15208

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-11.2479

>  <SCORE.INTRA.DIHEDRAL>
-5.83583

>  <SCORE.INTRA.DIHEDRAL.0>
13.2091

>  <SCORE.INTRA.POLAR>
-1.44483

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.4176

>  <SCORE.INTRA.VDW.0>
-0.587485

>  <SCORE.INTRA.norm>
-0.340846

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0349115

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  203.2089  220.5816  254.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0983  220.5147  255.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1743  218.9890  255.6735 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.6549  218.8847  257.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7680  219.4870  254.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6490  219.0042  253.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
>  <CHROM.1>
144.15139381,107.33605121,201.10142875,219.45133531,255.34664399,-0.24381998
-0.49228253,-1.29701060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449591/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.20366

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.23333

>  <SCORE.INTRA>
-0.196341

>  <SCORE.INTRA.DIHEDRAL>
-4.44089e-16

>  <SCORE.INTRA.DIHEDRAL.0>
1.6

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.196341

>  <SCORE.INTRA.VDW.0>
-0.280394

>  <SCORE.INTRA.norm>
-0.0327236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.20061

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.075257

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  191.5967  208.8488  259.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0486  210.2580  259.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1807  211.2686  258.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1834  211.2386  260.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6846  209.8705  260.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5856  208.8163  260.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2540  212.3049  259.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2415  212.3813  261.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5663  212.8144  262.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8426  214.0908  262.2829 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9801  214.1925  261.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6465  213.7349  259.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9981  214.2964  263.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9704  215.7706  263.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3487  216.4188  264.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9822  215.7055  265.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5078  215.1138  266.2865 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2522  216.3348  262.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4860  215.6487  262.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2948  215.6067  261.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8911  216.2444  260.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6806  216.9311  260.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8710  216.9796  261.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1721  217.9197  264.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1916  218.8547  264.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0871  220.1861  264.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9598  220.6205  265.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9342  219.7248  265.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0384  218.3934  265.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0800  212.0896  258.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9048  211.1469  257.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0669  212.9879  258.3025 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2358  213.8239  258.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.5858  212.8328  257.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  3  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
174.76208117,-2.07210434,144.03118528,-56.06608425,-62.89692934,-118.99845348
-152.37276507,194.24722114,214.47266250,261.87394371,1.74250131,-0.70725379
-2.42659113

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449592/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.78388

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3875

>  <SCORE.INTRA>
-3.61612

>  <SCORE.INTRA.DIHEDRAL>
0.984448

>  <SCORE.INTRA.DIHEDRAL.0>
2.30434

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.10834

>  <SCORE.INTRA.VDW.0>
1.03759

>  <SCORE.INTRA.norm>
-0.113004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.274496

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006808

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  200.5621  189.5409  247.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8310  190.9616  247.7214 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.4317  191.3460  249.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4426  192.8557  249.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8262  193.3886  249.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1183  193.8667  250.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4041  194.2834  251.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4368  194.2363  250.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1382  193.7994  249.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8410  193.3711  248.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5948  192.7996  247.2723 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2431  191.2804  247.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6629  193.6050  246.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4088  193.1867  245.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5497  193.8933  244.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9455  195.0605  244.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2160  195.5258  245.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0737  194.8124  246.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6892  194.6103  250.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5684  195.2238  249.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4478  194.6738  252.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1910  195.8243  252.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-138.84987546,-148.33932528,177.94546963,202.34970197,193.54351160,248.59840298
2.66770715,-0.90203648,-0.89477953

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449626/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.06854

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-1.33146

>  <SCORE.INTRA.DIHEDRAL>
3.38093

>  <SCORE.INTRA.DIHEDRAL.0>
0.804137

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.02192

>  <SCORE.INTRA.VDW.0>
3.35258

>  <SCORE.INTRA.norm>
-0.0605208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.321297

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  218.9403  189.0811  242.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4803  187.9456  242.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6962  187.0317  242.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3197  187.5293  244.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8354  188.8130  243.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4176  186.8309  245.3648 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.0753  187.3480  246.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9000  185.6071  245.3867 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.7853  187.7827  240.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2946  186.6882  240.1938 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6026  186.5464  238.8618 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1141  185.4635  238.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3751  184.3379  239.2146 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4239  185.3971  237.0029 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.1564  184.3459  240.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.7865  183.4834  238.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.2463  186.2045  236.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.8382  184.5442  236.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  CHG  2   6   1   8  -1
M  END
>  <CHROM.1>
179.60681408,-179.95177287,219.97792825,186.80526698,241.95817149,2.25503925
-1.15961042,1.95739151

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449627/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39689

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.00310519

>  <SCORE.INTRA.DIHEDRAL>
-0.00641944

>  <SCORE.INTRA.DIHEDRAL.0>
0.00689239

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000104536

>  <SCORE.INTRA.VDW.0>
-0.52742

>  <SCORE.INTRA.norm>
-0.000221799

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.52835

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000426

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  201.3736  204.9960  236.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5325  204.0884  237.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7194  202.9211  236.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8640  202.0330  236.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9250  201.9454  236.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5294  201.3349  237.9227 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5302  200.4439  238.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0177  199.7457  239.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8857  198.4132  239.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3383  197.7290  240.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2126  196.3327  240.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6377  195.6562  241.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1758  196.3684  243.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2902  197.7556  243.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8636  198.4314  242.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-179.44919225,-110.20099305,179.62656531,-179.70875984,119.95470710,178.14612723
203.20224361,200.02008349,239.31876808,1.52858854,0.73179695,-0.66056914

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449628/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.32167

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.76

>  <SCORE.INTRA>
-4.07833

>  <SCORE.INTRA.DIHEDRAL>
-8.3149

>  <SCORE.INTRA.DIHEDRAL.0>
9.55986

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0791177

>  <SCORE.INTRA.VDW.0>
0.0980522

>  <SCORE.INTRA.norm>
-0.271889

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.488111

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.210410

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  202.7349  219.1081  259.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3073  218.8054  258.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4114  219.5900  258.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1723  217.5977  257.9733 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9756  217.0566  257.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0248  215.7795  256.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8662  215.1678  256.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6504  215.8499  256.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5992  217.1328  256.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7565  217.7318  257.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0470  213.9116  255.8634 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3002  213.5891  254.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9902  217.0019  257.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
-176.32073261,-141.54424008,199.69370982,216.76732550,257.22812923,-1.05982282
0.17426131,-2.64028590

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449631/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.09128

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.308718

>  <SCORE.INTRA.DIHEDRAL>
1.53137

>  <SCORE.INTRA.DIHEDRAL.0>
0.369497

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.0744

>  <SCORE.INTRA.VDW.0>
2.14366

>  <SCORE.INTRA.norm>
-0.0257265

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.59094

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000504

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  194.1573  215.6145  245.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1823  216.7567  245.7098 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.4651  216.7893  244.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5687  217.7646  243.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9267  217.1423  244.2139 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.9476  216.5558  245.6720 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.5434  216.4661  246.4861 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.3836  217.3305  247.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6994  218.6085  247.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6106  218.1321  246.3032 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2912  219.1926  245.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0926  220.0811  244.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4016  217.9269  247.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1847  216.9802  246.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4001  217.4990  245.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0229  218.5033  244.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9466  218.2098  243.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7514  218.9840  242.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4249  220.1754  242.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3985  220.5556  243.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7571  219.6865  244.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9244  221.7818  243.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7999  222.3701  244.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3226  223.6654  243.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7288  224.5079  244.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6377  224.2388  245.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1256  222.8274  245.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1313  218.7765  247.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  1  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-113.13475323,176.32078769,171.67360643,175.03392129,198.16370587,219.22112764
245.01645697,-2.48122383,0.30791787,0.05548388

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449632/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85841

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-1.54159

>  <SCORE.INTRA.DIHEDRAL>
-2.39899

>  <SCORE.INTRA.DIHEDRAL.0>
2.76529

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.342094

>  <SCORE.INTRA.VDW.0>
-0.268992

>  <SCORE.INTRA.norm>
-0.057096

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.254015

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001926

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  188.9191  219.0141  258.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2246  219.7684  259.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1517  221.1535  258.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4278  221.9741  258.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7015  222.2898  260.0890 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1513  222.7345  260.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2163  221.6700  260.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6659  223.3078  260.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3516  222.7307  260.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2047  221.7202  261.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0729  221.3179  262.3319 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8242  221.1491  261.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8689  221.6136  260.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5394  220.0205  262.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
178.41887654,-63.41530290,162.81730275,-65.96275682,68.58914972,65.09893712
2.66415468,-0.61053944,190.11263014,221.45055677,260.38737149,3.08300384
0.37527118,0.94828858

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449633/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.3373

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.957143

>  <SCORE.INTRA>
-2.06274

>  <SCORE.INTRA.DIHEDRAL>
-0.512379

>  <SCORE.INTRA.DIHEDRAL.0>
2.65061

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.80655

>  <SCORE.INTRA.VDW.0>
2.37276

>  <SCORE.INTRA.norm>
-0.147339

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.809804

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030800

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  189.8266  212.0682  266.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2847  212.6801  265.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0439  211.6926  264.3265 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.3268  212.3969  262.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4106  211.4144  264.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2258  210.3025  264.0967 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8421  210.6409  263.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0684  209.2643  263.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1120  208.5188  263.9823 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8139  208.0322  265.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5945  207.3879  265.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2516  207.0211  266.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1395  207.2569  267.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3849  207.8270  267.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7347  208.1960  266.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3264  208.9663  266.0606 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.5429  208.6224  264.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8475  208.4906  263.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0613  208.1677  262.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9737  207.9874  261.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6703  208.1491  262.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4274  208.4789  263.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
174.61026309,56.68588008,79.35355029,41.78692344,192.28351854,209.32485099
264.72611601,3.00635865,0.58899654,-0.85897617

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449642/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.31554

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427273

>  <SCORE.INTRA>
-2.08446

>  <SCORE.INTRA.DIHEDRAL>
0.58854

>  <SCORE.INTRA.DIHEDRAL.0>
2.98265

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.37873

>  <SCORE.INTRA.VDW.0>
6.00121

>  <SCORE.INTRA.norm>
-0.0947483

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.332524

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004348

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  193.7015  220.6864  261.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6619  221.2866  262.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7432  221.9312  262.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8615  221.9721  260.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9023  221.3713  259.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8185  220.7281  260.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0694  221.4384  258.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1073  222.0528  257.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1594  222.7086  258.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1008  223.2643  258.0511 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0299  222.6681  260.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8735  223.1991  260.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1363  220.8535  257.5464 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4226  220.4341  258.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
0.08967940,195.73443020,221.87505032,259.86375937,-2.44890715,-0.54511726
-1.59392725

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449643/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39999

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.415385

>  <SCORE.INTRA>
-1.1981e-05

>  <SCORE.INTRA.DIHEDRAL>
-2.39364e-05

>  <SCORE.INTRA.DIHEDRAL.0>
3.06009e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.28081e-08

>  <SCORE.INTRA.VDW.0>
0.183602

>  <SCORE.INTRA.norm>
-9.21618e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.415384

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037920

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  188.0486  223.5465  246.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6484  223.7346  247.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.0264  223.4961  248.6186 P   0  0  0  0  0  0  0  0  0  0  0  0
  184.7844  224.3282  248.2613 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.8234  221.8937  248.3183 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6467  220.8506  248.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0649  219.5819  248.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8163  218.4361  248.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1553  218.5549  249.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7336  219.8188  249.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9785  220.9631  249.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4043  223.2574  250.2152 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2157  222.6263  251.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6511  221.5789  251.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4226  220.8795  252.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7558  221.2330  252.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3116  222.2985  252.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5394  223.0023  251.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
158.68607774,97.00275407,64.08666044,164.93832007,-131.19542413,186.73944516
221.88260991,249.57685124,-2.44981470,-1.21458781,1.50662714

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449644/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.94858

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-2.45142

>  <SCORE.INTRA.DIHEDRAL>
-0.255258

>  <SCORE.INTRA.DIHEDRAL.0>
5.0784

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.32379

>  <SCORE.INTRA.VDW.0>
-1.71646

>  <SCORE.INTRA.norm>
-0.13619

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.441588

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  216.5488  182.6687  241.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6341  182.2646  242.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5843  182.9410  244.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4541  184.0051  244.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4091  184.4019  243.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4235  183.7311  242.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3695  185.4309  243.6402 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1463  186.0369  242.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1550  185.7625  241.4631 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0314  187.1623  243.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0606  188.6901  243.2614 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.2049  188.5111  244.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1774  189.2859  245.1185 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6915  188.6097  246.1786 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.4418  187.4950  246.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4315  187.4460  245.5856 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1957  186.5352  247.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9753  185.3913  247.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6746  184.5412  248.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5943  184.8234  249.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8157  185.9530  249.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1202  186.8037  248.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2241  183.7732  251.0088 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.3585  184.9733  246.8409 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.2738  184.6666  245.5597 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.3306  185.9264  244.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.8507  188.9390  246.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-165.96258127,-84.27389849,82.16856756,-167.25380269,179.23423987,217.55731481
185.68712067,245.70756793,0.86690607,-1.17853624,-2.02373346

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449645/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.47843

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-8.92157

>  <SCORE.INTRA.DIHEDRAL>
-5.95132

>  <SCORE.INTRA.DIHEDRAL.0>
8.48841

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.54591

>  <SCORE.INTRA.VDW.0>
-1.50649

>  <SCORE.INTRA.norm>
-0.356863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.0591374

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  198.6872  214.2069  254.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6691  215.3376  254.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2088  216.5926  254.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2382  217.7803  254.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7163  218.9830  255.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6746  220.1080  255.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1565  221.2925  256.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0578  218.1862  253.6049 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6123  217.4610  253.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <CHROM.1>
179.66329172,173.37652422,-176.46108432,65.36657416,179.84925355,197.54370640
217.81341874,255.01811880,-1.18347788,-1.02106002,0.65371443

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449646/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.01612

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.175

>  <SCORE.INTRA>
-0.38388

>  <SCORE.INTRA.DIHEDRAL>
0.239839

>  <SCORE.INTRA.DIHEDRAL.0>
0.191923

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.5038

>  <SCORE.INTRA.VDW.0>
0.216491

>  <SCORE.INTRA.norm>
-0.047985

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
1.12701

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003621

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  185.7451  220.5691  258.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8286  221.9580  258.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4503  222.6204  258.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4562  224.0272  259.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3066  225.0587  258.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4869  225.5296  259.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2233  225.1918  260.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7675  225.5909  257.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8006  224.6006  256.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2089  224.1375  255.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1655  223.1181  254.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4857  221.9459  255.2492 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4776  221.3257  254.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
179.90602508,61.24437562,-106.57793199,-71.37216584,-61.62792357,177.85834340
-63.87910303,179.79971109,185.58401808,223.62469766,257.78945767,2.73636076
-1.50148506,-0.96031937

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449647/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1496

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03333

>  <SCORE.INTRA>
-1.25044

>  <SCORE.INTRA.DIHEDRAL>
0.376674

>  <SCORE.INTRA.DIHEDRAL.0>
0.267195

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.43877

>  <SCORE.INTRA.VDW.0>
-0.636584

>  <SCORE.INTRA.norm>
-0.104203

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.92913

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001280

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 33  0  0  0  0  0  0  0  0999 V2000
  200.2054  202.5578  247.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4704  201.3646  247.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0584  200.3661  246.9903 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4518  200.5980  245.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0332  199.7236  245.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1369  201.8043  245.0772 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5494  202.7263  245.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2254  203.8925  245.1349 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2911  199.0233  247.5139 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.4947  198.6281  248.7798 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.4781  197.1057  248.6581 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3741  196.8888  247.1422 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.0367  198.0070  246.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9379  195.5436  246.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3238  195.4647  246.9656 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3820  195.8955  245.8388 P   0  0  1  0  0  0  0  0  0  0  0  0
  202.9583  195.7558  244.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6360  197.4365  246.2105 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7715  195.2442  246.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2209  194.9746  247.7235 P   0  0  0  0  0  0  0  0  0  0  0  0
  206.6649  194.6868  247.9504 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6123  196.1676  248.5839 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2956  193.7708  248.2269 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6667  196.5374  249.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1461  199.1062  248.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3318  203.9440  244.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9928  204.2684  244.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.8631  197.9825  245.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6556  196.2802  248.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3614  193.9547  248.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6042  195.5663  249.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6676  198.7725  248.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9  3  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  6  0  0  0
 11 12  1  0  0  0  0
 11 24  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  6  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
M  END
>  <CHROM.1>
17.27761683,-91.47656485,58.22309822,174.92021863,-61.66437425,-94.41880356
-27.19891559,-72.48942889,-30.80194897,-164.88467543,52.23251408,-48.40561953
202.28576250,197.77513295,246.95463288,2.28241548,0.66682538,-0.63526621

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449648/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-3.12861

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-15.5286

>  <SCORE.INTRA.DIHEDRAL>
-2.84858

>  <SCORE.INTRA.DIHEDRAL.0>
13.0313

>  <SCORE.INTRA.POLAR>
-4.03878

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.00213996

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.383168

>  <SCORE.INTRA.VDW.0>
-3.62161

>  <SCORE.INTRA.norm>
-0.621145

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
-0.125145

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.036856

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  219.8108  184.1597  249.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3715  183.9211  247.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8746  185.0429  247.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9096  184.0452  248.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8906  182.5569  247.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7785  181.5212  247.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3015  180.2798  246.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9317  180.0494  246.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0326  181.0569  246.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5105  182.2976  247.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4186  178.8479  246.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.4250  179.0330  246.2338 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.1283  178.1863  246.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-119.30497677,18.20031521,220.04002292,181.56971151,247.09975434,1.53283977
-0.02234538,0.33826976

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449649/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36151

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0384858

>  <SCORE.INTRA.DIHEDRAL>
0.470986

>  <SCORE.INTRA.DIHEDRAL.0>
0.721009

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.273979

>  <SCORE.INTRA.VDW.0>
2.52264

>  <SCORE.INTRA.norm>
-0.00320715

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.530126

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001592

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  191.2023  213.1426  266.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0943  213.3371  265.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8815  212.6501  264.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7942  212.8260  263.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8938  213.6881  263.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0771  214.3922  264.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1828  214.2194  265.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8534  213.7631  262.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6275  213.0654  261.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0786  214.6815  262.1888 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6619  216.1496  262.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7282  214.5027  263.4567 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2541  213.2771  263.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2281  212.3270  262.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8218  213.2719  265.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5213  212.0980  265.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1555  211.9860  266.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1157  213.0543  267.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4365  214.2210  267.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7734  214.3753  265.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0403  215.5533  265.8618 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0976  216.0754  266.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7107  211.7339  263.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7976  215.7840  264.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
0.22105081,-70.41196638,63.34038992,0.71632304,-174.17565627,123.36077995
195.47334459,213.69132767,264.51087541,2.81275521,-0.10590157,-1.52254337

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449659/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0150198

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-11.415

>  <SCORE.INTRA.DIHEDRAL>
-15.6258

>  <SCORE.INTRA.DIHEDRAL.0>
17.2238

>  <SCORE.INTRA.POLAR>
-0.486985

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.94635

>  <SCORE.INTRA.VDW.0>
0.597273

>  <SCORE.INTRA.norm>
-0.496305

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.000653034

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000144

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  224.6433  185.2803  241.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0741  184.6892  240.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3958  183.9725  239.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3233  184.3553  239.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0564  182.8810  239.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.3296  185.9938  242.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7269  185.4204  243.7582 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.4871  187.3109  242.5148 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5758  182.4161  238.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.9584  187.7693  243.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-142.20853766,143.02293264,-179.76608194,-179.78477455,224.38905031,184.99032394
241.25410267,-0.81067012,0.84605477,-2.82342208

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449660/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.6165

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-0.783498

>  <SCORE.INTRA.DIHEDRAL>
-0.00313753

>  <SCORE.INTRA.DIHEDRAL.0>
0.00401662

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.781929

>  <SCORE.INTRA.VDW.0>
0.171607

>  <SCORE.INTRA.norm>
-0.0979373

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.827063

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046657

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  206.4626  217.8227  252.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9880  216.8136  251.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9329  215.7143  250.7616 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2829  214.4739  250.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6288  213.5973  251.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0074  216.1280  249.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3883  215.4913  250.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3974  214.0457  250.0272 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1735  213.3234  251.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0042  213.8664  252.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1350  211.8563  251.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3483  211.2446  249.8424 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1214  209.9153  250.0785 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9733  209.6510  251.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9265  210.9048  252.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7451  211.1302  253.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6022  209.8843  254.1739 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.3676  208.3791  253.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9248  208.3822  252.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4978  207.1992  251.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4360  206.0159  252.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8889  206.0210  253.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3845  207.2045  254.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9481  207.0980  255.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1183  205.9060  256.3811 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.5712  208.0211  256.5449 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.6116  207.3677  255.8830 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.0442  209.0401  248.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4554  207.7740  249.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4278  206.9254  247.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9650  207.3420  246.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5171  208.6163  246.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5453  209.4714  247.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3913  213.5461  249.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
152.85548428,-79.12051673,146.12851928,57.49220629,-89.44271851,2.24796133
-161.75465160,-175.58636998,208.30748854,210.50479429,251.78623040,1.89870885
1.30235160,-0.71086268

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449661/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.37715

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-5.02285

>  <SCORE.INTRA.DIHEDRAL>
-0.0971515

>  <SCORE.INTRA.DIHEDRAL.0>
5.5437

>  <SCORE.INTRA.POLAR>
-0.00617326

>  <SCORE.INTRA.POLAR.0>
-0.0144892

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.95329

>  <SCORE.INTRA.VDW.0>
1.8003

>  <SCORE.INTRA.norm>
-0.152208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.253853

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  180.7972  216.0574  260.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5436  214.7055  261.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3715  213.9824  261.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4794  212.7614  262.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7349  212.5740  262.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7807  213.8683  262.3531 S   0  0  0  0  0  0  0  0  0  0  0  0
  181.2307  211.4977  263.7527 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.4150  211.9651  265.2108 C   0  0  2  0  0  0  0  0  0  0  0  0
  180.1522  212.4546  265.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0338  212.0209  265.6351 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3800  213.3743  267.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1682  214.5694  266.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4568  214.1357  265.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5893  212.9371  265.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7380  212.4657  264.6865 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.7446  211.4257  263.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5666  210.9328  263.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5598  209.7823  262.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4953  209.2633  262.0407 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7610  209.3269  261.8813 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8385  209.8762  262.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8853  210.8725  263.2499 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.3906  209.3399  261.7120 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.5952  210.4373  260.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7556  211.8929  260.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8306  209.9939  259.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6017  212.9794  264.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.7806  211.2225  263.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  6  0  0  0
  7 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-104.47681651,88.76312691,66.49567336,182.72930758,211.97324927,263.04482125
2.91122488,-0.67241837,1.97555584

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449662/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.76959

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-1.63041

>  <SCORE.INTRA.DIHEDRAL>
-1.4284

>  <SCORE.INTRA.DIHEDRAL.0>
3.95431

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.916209

>  <SCORE.INTRA.VDW.0>
-2.57538

>  <SCORE.INTRA.norm>
-0.0627081

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.260369

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000012

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 50 49  0  0  0  0  0  0  0  0999 V2000
  189.1211  210.1964  249.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4599  209.8450  249.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5543  209.9098  250.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9108  209.6557  249.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9747  209.5477  250.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3069  209.1775  250.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3515  208.9908  251.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6712  208.5753  250.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6831  208.2758  251.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3535  206.9499  252.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7534  205.8022  251.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2411  204.4885  251.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7356  203.3280  251.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1808  202.0120  251.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7735  200.8079  250.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3389  200.7618  249.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1159  200.6820  248.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9705  200.8060  249.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4720  200.4468  248.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8897  201.4624  246.9549 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.3107  200.9868  245.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8146  201.7522  244.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8815  203.1910  244.2894 P   0  0  1  0  0  0  0  0  0  0  0  0
  197.1480  204.0375  244.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1954  202.6238  243.0454 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.9485  204.6299  244.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6491  205.1966  245.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8446  206.4534  245.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6370  207.2024  246.4368 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.9770  207.5356  247.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8419  208.4957  246.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8424  206.3259  247.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3968  202.8042  247.2243 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2382  203.5852  247.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3961  203.3295  248.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5607  204.8354  248.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6138  204.4930  249.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8073  205.6925  250.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8340  205.2845  251.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8615  206.4164  251.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8375  205.9798  252.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8311  207.0916  252.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4963  208.2470  253.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5075  209.3840  253.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1983  210.5751  254.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1930  211.6847  254.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8610  212.8350  255.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9022  214.0074  255.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5815  215.1815  256.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6494  216.3751  256.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  6  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
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 37 38  1  0  0  0  0
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 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  CHG  2  25  -1  29   1
M  END
>  <CHROM.1>
-175.95790638,-172.89324586,175.22588842,-176.73493583,178.10831475,-175.27456272
73.91937664,75.72173044,-171.22743654,-175.78554280,-178.26187863,-173.40560034
-66.63706748,126.45544028,-165.81240968,-65.98599076,-179.97527387,-171.02739076
89.81956838,-85.26006988,130.99093544,-165.70280992,179.61489799,-173.23019340
57.80624727,13.06104875,74.44193601,-174.62762067,177.48120637,-169.61296374
176.50375614,-177.43539527,-69.70674914,177.36212195,-176.08640921,-176.88320253
175.75113210,173.73074603,-177.95558023,176.77607124,194.76752441,206.25797440
249.53180193,2.27239116,-0.77844078,1.16211924

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449663/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
33.6083

>  <SCORE.INTER>
45.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
40

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.908

>  <SCORE.INTRA>
-11.7917

>  <SCORE.INTRA.DIHEDRAL>
-5.36366

>  <SCORE.INTRA.DIHEDRAL.0>
24.4948

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.10991

>  <SCORE.INTRA.VDW.0>
-0.358371

>  <SCORE.INTRA.norm>
-0.235835

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
50

>  <SCORE.norm>
0.672165

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.150372

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  213.2279  186.0618  239.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3029  187.0587  239.1733 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6763  188.3115  238.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4414  188.4058  237.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8650  189.5567  236.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5116  190.6153  237.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7303  190.5342  238.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3112  189.3915  239.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2039  187.4081  240.2633 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5629  187.1940  240.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1026  186.6495  239.2211 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.3512  187.6353  241.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5720  189.0465  241.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4608  189.7988  241.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3484  189.3539  241.9388 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7618  191.2788  241.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1055  191.8433  240.3420 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3441  191.3123  239.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1107  190.3754  238.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6101  191.9198  237.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7916  191.3650  236.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1516  191.9218  235.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3362  193.0419  235.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1611  193.6066  236.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7969  193.0500  238.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8235  187.8023  241.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3066  192.4469  240.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
-92.23160220,121.48659170,-79.04016010,70.39876470,4.36071945,110.82524838
-57.75834341,-177.44299894,215.16607841,189.81146980,239.03983672,1.15925541
0.75184733,2.71045366

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449664/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25981

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.536

>  <SCORE.INTRA>
-7.14019

>  <SCORE.INTRA.DIHEDRAL>
-3.76302

>  <SCORE.INTRA.DIHEDRAL.0>
10.2921

>  <SCORE.INTRA.POLAR>
-0.380583

>  <SCORE.INTRA.POLAR.0>
-0.0100829

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.9647

>  <SCORE.INTRA.VDW.0>
-1.54595

>  <SCORE.INTRA.norm>
-0.285608

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.250392

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013627

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  188.7644  227.3509  257.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1638  226.2393  256.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7977  226.2026  255.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1881  225.0939  254.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8316  225.0606  253.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2172  223.9605  252.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8674  223.9283  251.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2480  222.8311  250.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9045  222.7975  248.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2848  221.7078  248.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9529  221.6757  246.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3188  220.5931  245.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9686  220.5280  244.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3361  219.4460  243.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9888  219.3650  242.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3433  218.2841  241.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4966  217.0089  241.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9409  215.9682  241.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3810  216.0415  240.1760 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1193  214.6852  242.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0326  214.5089  243.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1759  215.5521  244.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0719  215.4023  245.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1535  216.4529  246.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8250  217.8623  245.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2003  216.0755  247.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.58239459,-179.74374540,-179.63856404,-179.76672046,-179.77384680,-179.72713361
-179.71466164,-179.68027888,-179.44487876,-179.74496703,-179.80368551,-179.47627069
-179.87080121,-60.65927357,179.33201785,2.42642699,83.92525771,-67.25159794
178.80355871,-178.71905178,68.74248678,187.93891539,220.17394819,247.30937354
1.44141229,1.03051941,1.03562263

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449665/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
23.9132

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.01538

>  <SCORE.INTRA>
-2.4868

>  <SCORE.INTRA.DIHEDRAL>
-0.591794

>  <SCORE.INTRA.DIHEDRAL.0>
2.84715

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.1909

>  <SCORE.INTRA.VDW.0>
0.0731106

>  <SCORE.INTRA.norm>
-0.0956461

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.919739

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038663

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  184.5337  208.8370  255.6269 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.6037  207.5543  255.1767 P   0  0  2  0  0  0  0  0  0  0  0  0
  184.9648  206.9069  256.4209 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6737  206.2716  254.7265 O   0  5  0  0  0  0  0  0  0  0  0  0
  184.9436  208.9700  256.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.8466  207.5434  253.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  6  0  0  0
M  CHG  1   4  -1
M  END
>  <CHROM.1>
60.41710303,185.45986798,207.44390110,255.42437676,-2.76969048,-0.83014054
2.48531219

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449709/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
5.22736e-05

>  <SCORE.INTRA.POLAR.0>
-5.22736e-05

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00447921

>  <SCORE.INTRA.VDW.0>
-0.0411381

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.528879

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  199.3012  222.7895  252.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2072  223.5619  252.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1800  222.9983  253.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2343  221.6498  253.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3309  220.8772  253.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3585  221.4454  252.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4669  219.1945  253.5742 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.1827  221.0552  254.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8543  221.4713  255.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4949  222.5681  256.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3963  223.2771  256.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9290  222.6670  257.7109 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8623  221.8407  257.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9192  221.7701  259.3544 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.5939  220.7606  256.6154 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.5356  223.5785  258.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8655  224.9055  258.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2301  225.6573  259.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6919  226.7887  258.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0438  226.6634  257.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7567  225.5261  257.4745 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8536  224.0233  253.6468 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-60.12643589,95.37025547,121.82165489,196.32318975,222.65633274,255.86209942
-0.48840314,1.03384698,0.06043011

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449722/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64532

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-2.75468

>  <SCORE.INTRA.DIHEDRAL>
-5.27159

>  <SCORE.INTRA.DIHEDRAL.0>
17.3978

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.118884

>  <SCORE.INTRA.VDW.0>
-3.38051

>  <SCORE.INTRA.norm>
-0.125213

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.256606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  196.8934  208.1979  261.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6233  209.2099  260.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4200  209.8963  260.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4810  209.5648  261.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3144  210.3011  261.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3304  210.0115  262.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5436  209.0067  263.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7519  208.2724  263.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7206  208.5345  262.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9535  207.8660  262.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6769  208.7467  264.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2187  209.9378  265.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8361  210.0080  266.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2622  211.0136  266.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8922  210.9945  267.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3333  211.9907  267.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1356  213.0176  268.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4992  213.0481  268.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0781  212.0431  267.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4407  212.0326  267.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0180  210.9912  266.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8009  211.1204  266.0091 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.3156  209.7527  266.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8760  211.5760  264.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3105  212.0996  266.9509 O   0  5  0  0  0  0  0  0  0  0  0  0
  190.8184  211.0393  262.5791 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.7668  210.1002  262.9490 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0526  212.0076  263.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8455  211.4816  261.2183 O   0  5  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  CHG  2  25  -1  29  -1
M  END
>  <CHROM.1>
144.12816976,-43.74386481,129.43417995,-41.02458513,192.19951940,210.56310405
264.51265035,-0.76491285,-0.22675914,1.33344748

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449723/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.14448

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-2.25552

>  <SCORE.INTRA.DIHEDRAL>
0.238354

>  <SCORE.INTRA.DIHEDRAL.0>
3.5911

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.3747

>  <SCORE.INTRA.VDW.0>
-3.319

>  <SCORE.INTRA.norm>
-0.0777767

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.246361

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  194.8084  221.1938  263.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1067  219.8176  262.8529 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.5834  219.5072  263.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2243  218.7907  263.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8700  219.9781  261.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8950  218.6771  260.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2599  218.0049  260.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6138  216.8403  261.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9445  216.3884  261.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9372  217.0652  260.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6125  218.2223  259.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2968  218.6691  259.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6402  218.8491  259.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3429  219.4344  257.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8428  216.1023  262.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6037  215.5842  261.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-170.97134311,-66.95636859,105.60465928,56.38481696,142.43534477,196.56882235
218.34814526,261.15951530,-2.94721555,-0.70920703,-3.07919635

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449724/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.55083

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-1.84917

>  <SCORE.INTRA.DIHEDRAL>
3.21624

>  <SCORE.INTRA.DIHEDRAL.0>
2.94946

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.45729

>  <SCORE.INTRA.VDW.0>
4.83873

>  <SCORE.INTRA.norm>
-0.115573

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.534427

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004831

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  208.7400  203.2022  247.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1685  204.4572  246.8314 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6549  205.6791  247.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5832  205.9424  247.9469 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8367  206.6805  246.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9082  205.9993  245.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1076  204.5690  245.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4330  203.6932  245.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0054  206.6443  244.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0454  208.0392  244.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9699  208.7342  245.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8945  208.0579  246.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1636  208.8005  244.1033 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1516  208.3054  243.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9798  207.1239  243.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1492  209.2466  242.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5832  210.3199  243.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4404  210.9796  242.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8538  210.5935  241.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4182  209.5659  241.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5482  208.9006  241.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1133  207.8647  240.6650 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.2715  208.0354  240.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3508  206.9653  240.2890 O   0  5  0  0  0  0  0  0  0  0  0  0
  203.1965  210.8640  244.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5755  210.9194  245.7555 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4899  211.2257  244.6142 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2441  209.8130  244.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9263  211.5998  245.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
>  <CHROM.1>
2.08306399,-41.64557498,-123.57695474,179.11452170,205.03047360,207.80593767
244.25592154,0.11505069,0.82895724,-2.53953668

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449725/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.78658

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-1.61342

>  <SCORE.INTRA.DIHEDRAL>
0.979025

>  <SCORE.INTRA.DIHEDRAL.0>
12.5559

>  <SCORE.INTRA.POLAR>
-0.539379

>  <SCORE.INTRA.POLAR.0>
-0.400978

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.269044

>  <SCORE.INTRA.VDW.0>
-0.891496

>  <SCORE.INTRA.norm>
-0.0597563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.251355

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000247

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  195.2986  198.7933  252.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5798  197.4068  252.3327 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4965  196.9350  251.3718 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.0308  196.4862  250.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6651  197.0446  251.7338 O   0  5  0  0  0  0  0  0  0  0  0  0
  194.6378  198.9682  250.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3814  198.3304  250.8879 N   0  3  0  0  0  0  0  0  0  0  0  0
  193.3514  197.1636  250.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4706  199.0579  251.2745 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  4   3   1   5  -1   7   1   9  -1
M  END
>  <CHROM.1>
64.92270916,64.41852378,-90.58184522,-90.27568885,194.98729499,197.78901305
251.26891049,-0.24141255,-0.33873784,0.64583110

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449726/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.806955

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-10.207

>  <SCORE.INTRA.DIHEDRAL>
-7.78467

>  <SCORE.INTRA.DIHEDRAL.0>
8.00001

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.31462

>  <SCORE.INTRA.VDW.0>
5.67969

>  <SCORE.INTRA.norm>
-1.13411

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
-0.0896617

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015002

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  221.9871  186.0169  241.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5881  185.9246  241.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8018  187.0813  241.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4710  187.0039  242.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9440  185.7377  242.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7201  184.5840  242.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0326  184.6742  242.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7230  188.2129  242.4466 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4507  188.4956  242.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5957  187.5308  244.0310 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.9468  189.7408  242.4901 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3138  190.2864  241.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3412  191.3651  241.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3563  192.6870  240.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6588  193.1714  241.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3564  192.1294  241.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5685  191.0226  241.7557 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0449  190.5765  243.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5076  191.9863  243.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8776  193.1545  243.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4474  194.4337  243.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7022  194.4383  244.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2520  195.6147  244.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5381  196.8093  244.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2912  196.8367  244.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7555  195.6439  243.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5334  198.1258  244.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3940  193.2339  244.5969 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8596  192.0148  244.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4789  190.9815  244.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2701  189.0532  242.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3128  193.2193  245.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 29  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-173.91602625,-102.28436243,122.38505740,-121.61354878,124.54340091,217.22981272
190.82220763,242.97812362,-1.20409773,0.46908724,0.01951933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449727/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.73209

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-2.66791

>  <SCORE.INTRA.DIHEDRAL>
-0.47231

>  <SCORE.INTRA.DIHEDRAL.0>
6.50239

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.43176

>  <SCORE.INTRA.VDW.0>
-3.13092

>  <SCORE.INTRA.norm>
-0.0889304

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.257736

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000001

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  220.0955  185.9085  246.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0038  185.3644  247.9329 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.1347  185.9460  249.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9039  187.4378  249.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6054  187.9545  249.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3988  189.3327  249.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4850  190.2060  249.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7790  189.7029  249.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9875  188.3266  249.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7116  185.6995  247.2969 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5702  185.0280  247.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7544  185.4375  246.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
65.13466572,168.33692782,84.78402497,218.58933483,187.27019994,248.73206373
-1.69282752,0.11701261,0.46793054

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449728/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.90976

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-0.490244

>  <SCORE.INTRA.DIHEDRAL>
0.267113

>  <SCORE.INTRA.DIHEDRAL.0>
0.78484

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.623801

>  <SCORE.INTRA.VDW.0>
1.26895

>  <SCORE.INTRA.norm>
-0.0445677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.719069

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028952

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  197.7131  221.8733  255.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3235  221.4849  256.4363 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.9820  220.0558  255.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9818  219.9768  254.4512 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.3819  220.3509  253.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7383  221.7812  254.3749 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7010  222.7557  253.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2778  222.4171  254.3089 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.2797  222.4561  255.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9438  220.9649  253.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2423  223.4387  253.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1691  223.5509  252.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6965  224.4391  251.6394 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4811  222.5088  251.7650 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5793  222.4116  250.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0087  222.1257  249.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5255  222.8079  249.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6134  221.0524  250.5530 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9543  220.6417  250.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3662  219.3894  250.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6833  218.9509  250.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6170  219.7669  250.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2142  221.0221  249.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8955  221.4581  249.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1692  221.9045  248.8875 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.3385  221.5004  248.7744 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7664  222.9983  248.4721 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.4887  218.5796  251.4528 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.0041  220.4140  251.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
57.90491465,-100.39459573,-169.01052247,64.42039112,-130.67931117,-166.55291253
196.67842061,221.53164722,251.99299398,-2.27091615,0.49627626,-1.31626360

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449729/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.93198

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-1.46802

>  <SCORE.INTRA.DIHEDRAL>
-1.7112

>  <SCORE.INTRA.DIHEDRAL.0>
5.65003

>  <SCORE.INTRA.POLAR>
0.334378

>  <SCORE.INTRA.POLAR.0>
-0.334378

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.74931

>  <SCORE.INTRA.VDW.0>
-1.20943

>  <SCORE.INTRA.norm>
-0.0524295

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.354713

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 48  0  0  0  0  0  0  0  0999 V2000
  183.2394  221.3800  259.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6624  221.4791  259.8111 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.7305  222.2466  261.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2293  222.7358  261.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0853  221.4350  261.7750 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3325  220.3480  261.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8577  220.7900  261.9845 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.7384  222.2974  262.0517 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.7428  222.4425  263.2745 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.3242  222.0574  263.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2975  223.1790  264.5524 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8955  224.6407  264.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0378  222.4214  265.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5136  220.9660  266.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7894  219.9346  265.1120 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4649  218.5732  265.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0558  218.0446  263.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6700  216.7965  264.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7053  216.0550  265.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1439  216.5792  266.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5333  217.8348  266.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2612  216.2645  262.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4368  219.8417  265.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5671  219.1206  264.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5516  222.6369  260.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7546  220.4802  260.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6185  219.3024  260.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6538  218.2401  260.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3147  219.5923  258.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4651  218.4758  258.3150 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.3496  219.1004  257.6381 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1569  218.8912  258.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6969  217.7848  258.4663 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5847  220.2006  258.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5943  220.2482  260.0177 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.1417  220.3109  261.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7463  219.1179  259.9812 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3336  217.5853  257.4127 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.6283  216.2945  257.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7170  218.2803  256.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9488  224.0553  262.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7970  223.3499  259.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1562  216.8942  262.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.1863  219.2092  260.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.2764  219.0310  256.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 35  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5 10  1  0  0  0  0
  5 36  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  6  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 38  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  6  0  0  0
 37 44  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 40 45  1  0  0  0  0
M  END
>  <CHROM.1>
99.84365729,54.86474747,-67.72440523,170.43963480,-114.82663862,168.81331581
-0.19566861,168.89421302,-66.11263562,63.94413004,188.34373795,220.03215052
261.66948259,1.87535207,0.84928770,-1.91280540

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449730/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.89314

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.295238

>  <SCORE.INTRA>
-9.50686

>  <SCORE.INTRA.DIHEDRAL>
-4.84892

>  <SCORE.INTRA.DIHEDRAL.0>
11.2544

>  <SCORE.INTRA.POLAR>
-0.996182

>  <SCORE.INTRA.POLAR.0>
-0.00381752

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.69538

>  <SCORE.INTRA.VDW.0>
-1.42979

>  <SCORE.INTRA.norm>
-0.226354

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.0688844

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010986

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  224.8692  187.8190  256.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6283  186.6224  255.6439 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.2173  186.8935  255.1183 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.5109  187.5290  256.3304 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.5776  188.0325  257.2345 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4647  188.5950  255.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0784  189.7117  255.3253 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2535  187.7630  253.9853 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.6629  185.4064  256.3977 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4251  189.0193  257.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.5561  189.3739  254.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.7640  187.3345  253.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.5267  184.6821  255.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  1  0  0  0
  3  4  1  0  0  0  0
  3  8  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  6  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <CHROM.1>
-178.59910233,61.12594769,-63.72382876,56.34728716,223.36532117,187.61159763
255.79963459,-0.03779698,-0.84822348,1.27253856

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449731/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.98502

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-4.41498

>  <SCORE.INTRA.DIHEDRAL>
-1.88716

>  <SCORE.INTRA.DIHEDRAL.0>
2.3123

>  <SCORE.INTRA.POLAR>
-0.735584

>  <SCORE.INTRA.POLAR.0>
-0.00677624

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.97042

>  <SCORE.INTRA.VDW.0>
0.53666

>  <SCORE.INTRA.norm>
-0.490554

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.220557

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018366

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  200.9558  212.8713  243.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0857  211.3962  242.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9923  210.4915  243.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5436  210.9071  243.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1587  212.0815  243.9791 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4275  213.3452  243.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7799  213.5201  242.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7235  212.0814  244.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2464  211.3004  245.5868 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.7074  211.8968  246.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1625  212.0966  246.9426 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7718  213.3336  246.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1249  213.0979  246.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9773  214.1895  246.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4429  215.4797  246.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0974  215.7013  246.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2373  214.6334  246.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5653  216.9402  245.8421 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.3340  211.6853  246.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1073  211.0829  246.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9895  209.6876  247.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1245  208.9007  246.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3393  209.4871  246.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4687  210.8739  246.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8336  208.3939  246.0807 Br  0  0  0  0  0  0  0  0  0  0  0  0
  194.8070  211.2668  245.5183 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4731  210.7404  246.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
84.50230485,68.94522256,-52.67203010,176.97075368,104.40329417,200.08391215
212.30403407,245.59623940,-1.69829923,0.10747487,3.13030161

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449732/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.57768

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-4.82232

>  <SCORE.INTRA.DIHEDRAL>
0.785417

>  <SCORE.INTRA.DIHEDRAL.0>
3.49236

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.21503

>  <SCORE.INTRA.VDW.0>
-1.88261

>  <SCORE.INTRA.norm>
-0.185474

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.176065

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000243

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  203.2841  202.6726  242.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9593  202.3340  241.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9368  202.2232  240.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3500  201.9212  238.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5028  201.6956  238.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1723  201.7878  237.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9310  202.0818  238.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5454  202.5665  239.5911 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2938  202.8885  239.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1644  202.7514  239.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2012  203.1456  240.1512 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6782  203.5897  241.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0490  203.4513  241.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8036  203.8894  242.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1157  204.4144  243.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9086  204.9330  244.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1238  205.1871  245.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6897  204.6687  245.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9752  205.0245  244.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7179  204.4663  243.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9503  204.0710  242.3805 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4364  201.4252  236.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6554  201.1245  235.2813 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3289  202.7770  240.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2315  203.1007  239.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <CHROM.1>
-179.94527351,2.44464192,6.50907716,2.70925492,200.28782808,203.13517226
241.03055780,-0.95363374,-0.15550862,1.24952928

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449733/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.95128

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-11.3513

>  <SCORE.INTRA.DIHEDRAL>
-19.3051

>  <SCORE.INTRA.DIHEDRAL.0>
19.7011

>  <SCORE.INTRA.POLAR>
-0.546977

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.161007

>  <SCORE.INTRA.VDW.0>
0.198588

>  <SCORE.INTRA.norm>
-0.493534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.0848382

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000335

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  213.7749  192.2128  253.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3161  193.0194  252.2475 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2754  192.4936  250.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9234  193.2487  249.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6049  194.6284  250.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4340  195.3773  249.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5407  195.0512  251.3109 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9269  194.3412  252.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9237  194.9122  253.5266 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9838  192.3942  248.8255 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4119  191.1857  249.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5978  191.2218  250.6188 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7616  192.6970  247.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9370  193.3862  246.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6545  192.8186  245.9397 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1731  194.6865  247.1875 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4180  194.9312  247.7943 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7436  194.5149  249.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7212  195.0816  250.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3567  196.3776  250.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4245  196.6188  252.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8486  195.5947  253.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2123  194.3592  252.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1690  194.0294  251.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4710  192.9087  250.6355 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2482  193.1081  249.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4207  192.3085  248.3866 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.0020  198.1689  252.6966 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.3111  196.0192  251.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4091  195.2894  247.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.7894  195.8761  247.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
77.61938499,108.68915448,118.68928191,-73.81779494,-95.76829131,214.37539892
194.20577618,250.33756166,1.36656597,1.09589400,1.13859676

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449734/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.865512

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-9.53449

>  <SCORE.INTRA.DIHEDRAL>
-0.0538622

>  <SCORE.INTRA.DIHEDRAL.0>
5.43857

>  <SCORE.INTRA.POLAR>
-0.481496

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.87047

>  <SCORE.INTRA.VDW.0>
-2.39932

>  <SCORE.INTRA.norm>
-0.340517

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0309112

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  209.2425  190.8158  240.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7834  191.7150  241.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6198  191.2971  242.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9206  189.9792  243.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3908  189.0583  242.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5402  189.5014  240.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7308  187.6753  242.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6846  187.0298  243.8067 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1214  185.7648  243.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4289  185.6959  242.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1883  186.9158  241.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8984  184.5655  241.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0587  183.4318  242.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7609  183.4368  243.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2870  184.6189  244.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9046  182.2968  244.5209 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3046  181.0303  244.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6060  180.6901  242.9811 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3373  179.9756  245.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0339  180.2254  246.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1100  179.1864  247.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4976  177.9072  247.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8160  177.6529  245.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7386  178.6858  244.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5947  176.6387  248.2109 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.6356  189.5655  244.9283 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.6254  182.4200  245.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-0.15505503,-2.17311691,-2.31981558,210.36912154,184.26495846,244.10394841
-2.16068750,-1.21941988,2.24420579

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449737/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.19806

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-2.20194

>  <SCORE.INTRA.DIHEDRAL>
-6.01409

>  <SCORE.INTRA.DIHEDRAL.0>
6.04118

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.805105

>  <SCORE.INTRA.VDW.0>
-0.744824

>  <SCORE.INTRA.norm>
-0.0846901

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.238387

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000874

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  232.2623  193.7927  247.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.2670  192.9088  247.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.8463  192.0745  246.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
  233.4176  192.1142  245.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.4245  193.0190  244.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.8455  193.8540  245.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.7737  193.1052  243.0609 S   0  0  1  0  0  0  0  0  0  0  0  0
  232.9643  192.9914  242.1559 O   0  0  0  0  0  0  0  0  0  0  0  0
  231.0170  191.2866  242.8224 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  234.2115  190.8436  243.9808 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  6  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-42.63901236,232.89384438,192.03127819,244.25001548,1.29278917,-0.63974162
1.09885473

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449746/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20209

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.197908

>  <SCORE.INTRA.DIHEDRAL>
-0.0212237

>  <SCORE.INTRA.DIHEDRAL.0>
0.783026

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.187296

>  <SCORE.INTRA.VDW.0>
-0.889104

>  <SCORE.INTRA.norm>
-0.0197908

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.620209

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003270

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  204.9598  196.1929  247.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4340  194.8113  247.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6564  194.2255  248.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9103  194.2604  246.3752 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4776  192.9853  246.0138 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9550  192.4224  244.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7560  193.0021  244.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4250  191.0248  244.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0983  190.0042  245.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7961  189.9458  246.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0492  190.7307  247.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5050  188.8416  247.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3733  187.9126  246.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8860  187.0002  247.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3725  187.2641  248.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3058  188.5725  248.9286 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.7117  186.4148  250.3571 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.5505  194.7318  245.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8373  192.5085  246.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
-179.57931586,-79.73040389,72.69811755,-3.05560793,-0.35132830,205.30639755
190.52052421,247.32982959,2.84557118,1.34000866,-1.64871520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449748/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.75499

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-4.64501

>  <SCORE.INTRA.DIHEDRAL>
-6.41316

>  <SCORE.INTRA.DIHEDRAL.0>
8.5644

>  <SCORE.INTRA.POLAR>
-0.405598

>  <SCORE.INTRA.POLAR.0>
-0.0107023

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0594027

>  <SCORE.INTRA.VDW.0>
-0.314701

>  <SCORE.INTRA.norm>
-0.273236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.338529

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000711

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  194.7295  209.0307  238.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0431  208.3937  239.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2587  208.9428  238.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5383  208.2543  239.2599 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.2797  206.8672  239.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0344  206.3873  240.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9570  207.1683  239.6518 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8983  205.1365  240.5301 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9707  204.4070  240.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1967  204.7748  240.7941 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4399  205.9746  240.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5705  206.3176  239.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5445  202.8691  241.6493 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.0757  203.3429  243.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5529  204.7693  243.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4290  205.8552  243.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9535  207.1724  243.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5882  207.4115  243.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6992  206.3430  243.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1850  205.0312  243.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0864  208.7921  243.2785 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.9088  209.7101  243.4119 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8703  208.9597  243.1061 O   0  5  0  0  0  0  0  0  0  0  0  0
  199.2382  209.1387  240.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5564  209.5602  240.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2286  210.3335  240.9938 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5590  210.7074  242.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2511  210.3441  242.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5825  209.5504  241.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4057  210.2452  238.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4830  210.9775  237.7163 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7178  210.4918  237.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9824  211.7270  237.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0342  206.7566  239.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9723  204.7696  240.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  1  0  0  0
  5 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
6.68571033,-122.52547830,-80.23512182,27.80115518,-88.26149295,-179.12268193
197.51321252,207.58833525,240.91660643,1.24021087,0.57952975,-0.36371400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449749/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.14314

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-3.25686

>  <SCORE.INTRA.DIHEDRAL>
-0.0730906

>  <SCORE.INTRA.DIHEDRAL.0>
5.17804

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.22031

>  <SCORE.INTRA.VDW.0>
-0.536376

>  <SCORE.INTRA.norm>
-0.0986926

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.246762

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000127

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  188.8240  205.5710  255.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4387  206.6824  255.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9796  207.9368  255.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8653  208.0456  256.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2660  206.9601  257.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7324  205.7029  256.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1245  204.4856  257.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9680  204.5130  258.7217 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5987  203.2662  257.4312 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1806  209.3770  256.5424 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5096  210.0272  255.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7731  209.1548  254.8515 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5803  211.4557  255.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9617  212.0037  254.3043 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4575  212.2279  256.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1578  211.7440  257.1062 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8143  212.8143  257.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5273  213.9846  256.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6608  213.5874  255.9710 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0706  215.2291  257.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9495  215.2501  258.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2408  214.0768  259.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6778  212.8501  258.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5920  216.5252  258.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3955  217.6583  258.2563 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4374  216.5417  259.9206 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.3650  205.4454  258.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.8032  202.8910  256.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.6139  203.2157  257.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.8021  209.8443  257.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2305  214.1709  255.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8016  217.5575  257.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.2789  215.9830  259.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9351  216.4058  260.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  0  0  0  0
M  END
>  <CHROM.1>
179.16853197,62.89083698,-179.60532937,-0.43204803,-0.62427320,61.47860149
190.84972525,210.68959499,257.01164463,2.09412413,0.87531364,2.88095399

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449750/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.31623

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-2.08377

>  <SCORE.INTRA.DIHEDRAL>
-5.22237

>  <SCORE.INTRA.DIHEDRAL.0>
6.18556

>  <SCORE.INTRA.POLAR>
-0.00262572

>  <SCORE.INTRA.POLAR.0>
-0.445875

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.536342

>  <SCORE.INTRA.VDW.0>
-1.61352

>  <SCORE.INTRA.norm>
-0.0801449

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.358317

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010220

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  198.7719  212.2492  245.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8376  211.0622  244.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9411  210.0930  244.7739 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9311  209.7177  246.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9607  210.9361  247.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8149  211.8537  246.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5217  211.2725  247.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2570  211.6053  248.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2165  211.0843  249.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3388  211.6694  250.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8564  213.0297  249.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1153  213.9310  249.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6358  215.1242  248.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9201  215.5079  248.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6605  214.6917  249.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1516  213.4667  250.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2989  212.5910  251.2562 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.3904  211.1919  251.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0964  210.8359  251.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5490  209.6698  252.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2666  208.8822  252.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5376  209.2502  253.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0892  210.4073  252.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5625  207.4417  253.5624 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.2366  210.6909  244.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3613  209.6588  244.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0089  208.7040  243.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7698  208.0908  243.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <CHROM.1>
-163.61537649,-147.48380390,-62.12147032,90.97860170,60.04654169,179.91939202
200.19594774,211.15448628,249.06858890,-2.31450968,1.51986841,2.44665530

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449751/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85982

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-3.54018

>  <SCORE.INTRA.DIHEDRAL>
-0.859548

>  <SCORE.INTRA.DIHEDRAL.0>
4.06379

>  <SCORE.INTRA.POLAR>
0.21629

>  <SCORE.INTRA.POLAR.0>
-0.21629

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.84579

>  <SCORE.INTRA.VDW.0>
1.35543

>  <SCORE.INTRA.norm>
-0.131118

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.254067

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001238

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  207.2394  191.1817  250.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2895  191.9756  249.0852 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.0043  192.1462  249.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8539  190.9099  248.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3675  190.3983  247.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0946  189.9519  246.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9052  190.2305  247.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1117  191.5257  247.5822 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7649  191.0553  247.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4862  191.7069  247.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5122  192.5793  248.6538 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.9712  193.0922  249.1820 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.5750  193.7863  250.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2900  193.7790  251.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1922  194.5066  250.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0288  193.4851  250.5578 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.4313  192.2001  249.7429 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.0615  191.6748  249.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9548  192.5881  249.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6900  193.9260  249.8275 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8447  195.0327  250.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6804  194.8582  250.7927 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5312  196.3835  250.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2654  196.8331  249.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9261  194.3430  248.4756 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7807  193.1157  252.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2356  194.5125  248.0536 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.6679  193.9181  247.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7440  192.7231  246.8118 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7835  194.7190  247.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0610  194.3127  246.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6657  197.6845  249.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3458  195.2124  248.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 29  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  1  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-120.00793343,-73.92727905,48.54826277,-179.92220636,-177.38944653,205.35691265
193.11991136,248.93898593,0.36921891,-0.32112453,-3.04121819

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449752/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.02161

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.270968

>  <SCORE.INTRA>
-13.4216

>  <SCORE.INTRA.DIHEDRAL>
-18.5912

>  <SCORE.INTRA.DIHEDRAL.0>
20.8096

>  <SCORE.INTRA.POLAR>
-0.748322

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.58173

>  <SCORE.INTRA.VDW.0>
0.825287

>  <SCORE.INTRA.norm>
-0.432955

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
-0.161987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001914

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  191.9030  210.0446  258.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6217  210.0116  257.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3844  209.2587  256.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4506  208.5653  256.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7118  208.5807  256.5607 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9022  209.3185  257.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3263  207.7579  254.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2544  207.5448  254.0746 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6529  206.7401  253.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0038  206.4353  253.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4076  207.0958  254.2733 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6765  205.6278  252.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9111  205.1157  251.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5472  205.4178  251.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9049  206.2308  251.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5478  204.2449  250.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7983  203.9099  250.1575 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8172  203.7595  249.0797 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1251  209.2191  256.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3329  207.1202  254.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2580  204.2687  250.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.0605  203.1296  249.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5264  204.5097  248.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1105  208.6702  255.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <CHROM.1>
179.25905882,0.35219547,0.75309084,-63.70301676,191.51662830,207.08111583
253.87396548,-1.67861452,0.21991873,-2.16993388

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449786/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.38172

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-5.01828

>  <SCORE.INTRA.DIHEDRAL>
-3.32295

>  <SCORE.INTRA.DIHEDRAL.0>
3.80583

>  <SCORE.INTRA.POLAR>
-0.875632

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.107564

>  <SCORE.INTRA.REPUL.0>
0.107564

>  <SCORE.INTRA.VDW>
0.158156

>  <SCORE.INTRA.VDW.0>
-0.706146

>  <SCORE.INTRA.norm>
-0.26412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.177985

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009423

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 26  0  0  0  0  0  0  0  0999 V2000
  198.7878  219.6636  261.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0820  220.5703  260.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9801  221.2751  259.2028 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.9729  222.2419  259.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0529  223.5884  259.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6489  224.2504  259.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5694  223.2555  258.8838 N   0  0  2  0  0  0  0  0  0  0  0  0
  198.1195  222.0944  258.1961 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.1009  221.1818  257.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7483  221.3788  257.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1993  222.6700  258.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3318  223.7629  258.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1938  220.1390  257.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8834  219.6519  256.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6912  218.3049  256.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7630  217.4179  256.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0630  217.8733  256.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2629  219.2305  257.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4422  219.8999  257.3356 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7419  219.3679  257.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0450  218.2926  256.9901 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6979  220.2480  258.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-63.91714689,197.30484839,220.76497069,258.17358040,-0.81947225,0.38397427
-2.91253191

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449787/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39872

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-0.00127505

>  <SCORE.INTRA.DIHEDRAL>
-0.0136758

>  <SCORE.INTRA.DIHEDRAL.0>
0.0633288

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00556287

>  <SCORE.INTRA.VDW.0>
0.389787

>  <SCORE.INTRA.norm>
-5.79567e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.290851

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000718

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  195.7898  209.6610  256.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5748  208.2696  255.6276 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8257  207.5403  256.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6273  206.0529  256.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8785  205.3129  255.9987 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6275  206.0902  254.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8444  207.5842  255.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6983  205.0860  257.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8885  204.3770  258.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1620  204.8366  259.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6150  206.1679  259.6196 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2720  206.3354  259.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6783  207.4736  259.9981 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4747  208.6271  259.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8799  209.8700  260.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6496  211.0375  260.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0223  210.9730  259.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6260  209.7414  259.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8486  208.5781  259.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4648  207.2552  259.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6632  207.1681  259.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1393  203.3914  258.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
56.81768345,-142.15295166,70.83786181,80.92217535,195.65080223,207.46713340
258.20550494,-2.76046893,-1.36911760,2.69644381

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449788/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.03086

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-1.36914

>  <SCORE.INTRA.DIHEDRAL>
1.77485

>  <SCORE.INTRA.DIHEDRAL.0>
2.47918

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.25656

>  <SCORE.INTRA.VDW.0>
-1.1081

>  <SCORE.INTRA.norm>
-0.065197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.382422

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000824

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  207.4637  177.1712  252.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3820  177.5257  254.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1312  177.7326  254.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0236  178.0677  256.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1993  178.1947  256.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4458  177.9841  256.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5385  177.6504  255.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2046  178.5264  258.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6654  178.2649  256.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1194  178.5591  258.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-179.99903049,206.99238102,177.91587489,255.78740557,1.31003065,0.04451150
-1.80994904

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449789/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.97233

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.42767

>  <SCORE.INTRA.DIHEDRAL>
-0.0192991

>  <SCORE.INTRA.DIHEDRAL.0>
0.0193003

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.418021

>  <SCORE.INTRA.VDW.0>
1.10825

>  <SCORE.INTRA.norm>
-0.0475189

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.552481

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003163

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  196.8829  195.3115  248.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2908  195.3175  247.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6598  195.8475  246.8733 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9030  196.5551  245.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9961  197.6297  245.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3263  197.0632  245.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3830  196.6250  246.0864 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7487  195.1151  247.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2219  193.9555  246.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3069  193.2330  247.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9540  193.6766  248.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5096  194.8130  249.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4139  195.5270  248.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1108  195.2721  250.2720 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1784  194.6893  250.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7993  193.6846  250.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5748  195.4102  252.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6302  192.1159  246.5298 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0146  191.8029  246.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6887  196.0895  250.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-148.89107103,152.25500641,75.72247797,65.29866597,143.85259853,-0.45785752
200.95719006,194.89776479,247.92431552,2.73268335,0.66654307,-2.07987962

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449790/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.28155

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-2.11845

>  <SCORE.INTRA.DIHEDRAL>
1.39275

>  <SCORE.INTRA.DIHEDRAL.0>
2.08251

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.81482

>  <SCORE.INTRA.VDW.0>
2.3257

>  <SCORE.INTRA.norm>
-0.111497

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.488503

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000874

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  195.5400  216.6847  254.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1378  216.4474  253.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0012  216.8445  254.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7013  216.5966  254.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5576  215.9518  252.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6757  215.5511  252.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9541  215.7950  252.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4343  216.9358  254.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3420  216.7775  254.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5884  217.3802  256.0503 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5184  217.7208  256.8164 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7120  218.0313  258.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0182  217.9072  258.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5155  218.5342  258.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7237  219.6315  258.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4989  219.5559  258.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4829  220.6820  257.6925 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.3898  220.5126  256.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9333  220.1700  255.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8768  220.0074  254.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2409  220.1583  254.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6920  220.4762  255.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7658  220.6641  256.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4798  219.9508  253.1388 Br  0  0  0  0  0  0  0  0  0  0  0  0
  187.4800  220.0714  254.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1527  217.4813  255.7158 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5345  217.5748  256.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.6299  221.4711  258.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9096  218.0892  255.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
38.15550863,174.42229546,174.64510306,-49.48208956,131.66181729,65.96655939
64.66915941,191.00081055,218.58401256,255.15957965,-0.00485237,-0.77081333
2.66107165

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449791/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.89189

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-6.50811

>  <SCORE.INTRA.DIHEDRAL>
1.44851

>  <SCORE.INTRA.DIHEDRAL.0>
4.47557

>  <SCORE.INTRA.POLAR>
0.00200744

>  <SCORE.INTRA.POLAR.0>
-0.746148

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.23919

>  <SCORE.INTRA.VDW.0>
0.605617

>  <SCORE.INTRA.norm>
-0.250312

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.18815

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  202.3505  201.7140  246.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5132  202.8857  247.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4597  203.2723  248.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6028  204.3528  248.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8148  205.0407  249.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8745  204.6584  248.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7205  203.5915  247.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0383  206.0595  249.9960 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3524  206.2217  250.6357 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.3786  206.9242  249.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8274  205.8845  249.7403 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.9817  205.3127  248.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9089  206.5872  250.3974 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2017  204.6781  250.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9405  204.9428  251.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0845  207.0527  250.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3171  207.9410  251.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7875  207.0850  249.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9029  207.9162  248.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7621  207.4551  247.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0285  208.0564  247.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9536  207.5860  246.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6427  206.5156  245.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3715  205.9470  245.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4354  206.4246  246.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6510  205.9590  244.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4373  209.2097  248.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  6  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
142.60712107,78.07368145,-91.49712263,67.61150737,-102.36700250,203.70051864
205.92823098,248.46585958,-2.70245783,-0.48365467,0.66694525

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449792/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.71465

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-7.68535

>  <SCORE.INTRA.DIHEDRAL>
-5.29655

>  <SCORE.INTRA.DIHEDRAL.0>
17.4601

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.03707

>  <SCORE.INTRA.VDW.0>
-0.842181

>  <SCORE.INTRA.norm>
-0.284642

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.100543

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000227

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  220.9304  190.6667  251.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0226  189.7224  250.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2537  189.9086  249.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4577  189.0968  248.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6595  189.6649  247.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7881  188.8229  246.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7690  187.4587  246.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6122  186.9825  247.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4415  187.7703  248.5272 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7168  191.0895  246.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5113  191.4788  245.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1810  191.8400  247.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6143  193.1762  247.5671 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.9260  193.9551  248.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8815  193.0293  246.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1084  193.7879  245.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.6806  191.9555  247.0791 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.9129  191.5990  246.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5609  190.4463  246.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7729  190.0397  246.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3926  190.7623  245.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7344  191.9344  244.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5251  192.3494  245.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6111  190.3694  244.7700 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.6651  189.6845  243.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8640  191.0219  245.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3033  191.3185  247.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.36737256,125.40499385,147.10423174,164.83829787,172.17389528,141.92769211
-176.65478164,102.42855242,221.49281390,190.75497081,246.98738012,2.98841732
-0.41258406,3.11765838

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449793/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.56502

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-8.83498

>  <SCORE.INTRA.DIHEDRAL>
1.15994

>  <SCORE.INTRA.DIHEDRAL.0>
7.80683

>  <SCORE.INTRA.POLAR>
-1.02473

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0447074

>  <SCORE.INTRA.REPUL.0>
0.0447074

>  <SCORE.INTRA.VDW>
-5.70732

>  <SCORE.INTRA.VDW.0>
3.3171

>  <SCORE.INTRA.norm>
-0.339807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.175578

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000800

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  203.1293  220.3632  247.8374 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.5027  220.7013  246.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3109  221.4056  248.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6150  219.2950  248.1879 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.1482  221.6879  248.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
>  <CHROM.1>
-90.00981595,203.15595061,220.46370584,247.90649624,0.83587667,1.01900883
-2.71905674

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449807/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.4

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
-2

>  <SCORE.INTRA.DIHEDRAL>
-4

>  <SCORE.INTRA.DIHEDRAL.0>
4

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0

>  <SCORE.INTRA.VDW.0>
0

>  <SCORE.INTRA.norm>
-0.5

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
0.85

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.839116

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  197.8168  210.2720  246.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6946  210.3482  246.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6754  211.2403  248.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7574  212.0657  248.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8871  211.9895  247.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9105  211.0939  246.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9733  212.8256  247.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9183  213.6872  248.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7772  213.6823  249.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7074  212.8909  249.4149 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6963  214.7253  251.1148 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.9164  213.9065  252.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9821  212.5080  252.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9629  211.9427  253.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1653  210.6507  253.4720 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4589  210.5982  254.5107 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.8135  212.2142  254.6374 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9355  212.8606  253.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8741  214.2612  253.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8614  214.7388  252.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0788  211.6032  251.6646 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.8900  211.6545  252.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5481  210.8538  250.7975 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
-68.34270864,-44.70947918,199.67872189,212.29738253,250.93476264,-2.84721426
-0.99970745,0.26815658

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449810/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.16944

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-1.23056

>  <SCORE.INTRA.DIHEDRAL>
0.0803328

>  <SCORE.INTRA.DIHEDRAL.0>
3.92047

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.27072

>  <SCORE.INTRA.VDW.0>
-1.1171

>  <SCORE.INTRA.norm>
-0.0535025

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.268237

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  209.1451  194.7722  255.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2933  194.5262  254.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6197  193.5395  253.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7542  192.8189  253.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7546  193.0120  254.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8013  192.3694  254.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4000  194.0544  255.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2492  194.2802  256.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4280  193.6304  256.6262 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.2850  193.8954  257.6640 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1390  194.7878  258.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1582  194.6999  259.5144 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9897  193.7111  259.0398 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4509  193.2368  257.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1589  191.4443  251.7263 I   0  0  0  0  0  0  0  0  0  0  0  0
  206.4970  195.5514  254.0848 I   0  0  0  0  0  0  0  0  0  0  0  0
  212.7144  192.9033  255.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
3.94371180,209.75390594,193.62139712,254.28825321,0.47024328,-0.47639984
0.92929342

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449811/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.38339

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.01661

>  <SCORE.INTRA.DIHEDRAL>
-4.37896

>  <SCORE.INTRA.DIHEDRAL.0>
4.40929

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.172871

>  <SCORE.INTRA.VDW.0>
-0.306276

>  <SCORE.INTRA.norm>
-0.126038

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.273962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001187

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  218.4801  181.6459  258.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4967  181.2943  259.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8929  180.8135  261.3025 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.9510  180.4378  262.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9637  181.7869  261.8643 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5928  181.6246  261.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0571  180.6214  261.3213 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7819  182.7528  262.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3029  184.0347  261.9658 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7427  184.9380  261.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6605  185.9178  260.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1671  186.9105  259.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6391  186.5485  259.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4825  185.0759  260.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7843  185.5846  261.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5565  184.4128  262.3432 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.0817  186.3379  261.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1470  185.5039  261.9566 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.3440  187.0820  260.6858 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.0977  187.1891  262.8554 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.3075  182.7277  262.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <CHROM.1>
178.38420738,103.03750198,45.54395179,110.83678045,-145.81514792,217.62692409
184.09091053,261.29081881,-1.44377438,-0.20924011,0.01622719

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449812/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.52842

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-2.87158

>  <SCORE.INTRA.DIHEDRAL>
0.0859406

>  <SCORE.INTRA.DIHEDRAL.0>
5.47814

>  <SCORE.INTRA.POLAR>
-0.442195

>  <SCORE.INTRA.POLAR.0>
-0.288648

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.41109

>  <SCORE.INTRA.VDW.0>
-1.66585

>  <SCORE.INTRA.norm>
-0.143579

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.376421

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000876

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  205.1287  225.9008  250.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7656  226.4519  251.9259 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4899  225.7500  252.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5295  224.4049  252.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4080  223.8008  253.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2319  224.5281  253.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1654  225.8509  253.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2825  226.4552  252.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8172  226.2603  252.9237 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5570  226.7119  254.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7359  226.0013  255.0125 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5464  226.3840  256.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3042  227.3113  256.8698 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.1180  228.0347  256.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9247  229.0018  256.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6970  229.8812  255.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6413  229.8158  254.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9114  228.7965  253.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1868  227.8641  254.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5352  225.7571  257.0016 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8329  224.3607  257.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8762  223.9030  258.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4297  224.0955  258.1105 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1860  225.5112  257.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1570  225.9439  256.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6940  222.8896  257.1736 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.3179  223.2802  256.9575 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5635  222.5927  256.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6956  221.4957  258.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7580  226.4850  252.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <CHROM.1>
72.60514035,-178.66968017,75.34955553,71.18337295,-179.98867665,203.53450590
225.60978335,255.33916527,0.36211157,-0.73424841,-1.58245636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449813/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.88444

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-4.51556

>  <SCORE.INTRA.DIHEDRAL>
-0.34063

>  <SCORE.INTRA.DIHEDRAL.0>
2.45102

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.34525

>  <SCORE.INTRA.VDW.0>
-0.0402288

>  <SCORE.INTRA.norm>
-0.155709

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.202912

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000776

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  192.5801  216.7923  256.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7649  216.5946  255.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3206  215.4238  254.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4361  215.4405  253.6791 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.0088  215.0221  253.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0760  215.6545  254.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8147  215.0739  254.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5056  213.8854  254.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4529  213.2570  253.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7012  213.8377  253.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8109  213.4221  252.5653 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8984  214.3031  252.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9926  214.2072  252.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8776  212.2522  251.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4594  216.7828  252.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9021  217.8870  253.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4507  217.8118  254.8629 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8477  219.1796  253.1301 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9948  216.9479  251.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2734  216.1407  250.9695 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.4594  218.0819  250.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0178  218.2920  249.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6019  214.0860  255.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5092  213.8773  256.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7197  213.1356  255.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9225  211.8363  255.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1911  219.7735  253.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.7353  219.2326  252.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 17  1  0  0  0  0
  2  3  2  0  0  0  0
  3 23  1  0  0  0  0
  4  3  1  1  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-19.70630215,18.44353772,111.02250353,-178.91943228,-179.46638287,190.22231167
215.37229008,253.63032972,-1.62884710,-0.80473267,-0.64449576

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449814/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.31563

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-2.08437

>  <SCORE.INTRA.DIHEDRAL>
0.0038616

>  <SCORE.INTRA.DIHEDRAL.0>
2.91907

>  <SCORE.INTRA.POLAR>
-0.647632

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.11565

>  <SCORE.INTRA.VDW.0>
2.68028

>  <SCORE.INTRA.norm>
-0.080168

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.319832

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000610

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  194.5176  215.8388  249.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1313  214.5460  249.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7338  213.4124  249.2689 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2779  212.1155  249.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8528  211.6467  251.1593 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.6102  212.5301  252.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7090  213.1962  252.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5415  214.0576  254.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2680  214.2618  254.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1719  213.6092  254.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3441  212.7439  252.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0488  215.1057  255.6072 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3152  210.3424  251.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7497  213.4650  249.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9006  215.4815  255.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7131  210.0441  252.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
-173.20807823,-74.96117673,59.62370842,-111.45189246,177.48320150,-0.58131737
194.42851058,213.34049044,252.07041365,-0.21472559,1.52322710,-0.01320206

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449817/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.81143

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-2.58857

>  <SCORE.INTRA.DIHEDRAL>
-2.62023

>  <SCORE.INTRA.DIHEDRAL.0>
3.99687

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.27846

>  <SCORE.INTRA.VDW.0>
0.0678252

>  <SCORE.INTRA.norm>
-0.199121

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.523956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001476

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 32  0  0  0  0  0  0  0  0999 V2000
  196.7415  211.5878  253.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7662  211.0585  254.6500 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8159  210.6527  253.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7869  209.5286  253.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7397  209.3267  252.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8034  210.1948  251.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8279  209.7692  250.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1384  208.1662  250.8609 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4806  207.6049  252.1767 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.9148  207.8583  251.8987 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.4118  207.3946  250.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3005  207.7190  249.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7249  207.4785  249.6016 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9698  206.0220  249.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3982  205.5808  249.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8186  204.5909  250.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8697  204.2045  249.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8888  207.3207  252.9184 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.1126  208.3896  253.4757 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5569  206.2925  253.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2352  206.1010  254.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5863  205.4123  253.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7989  206.2411  252.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0859  208.3981  253.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0381  211.0646  252.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0476  211.2852  253.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5416  208.2895  254.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 26  1  0  0  0  0
  3  4  2  0  0  0  0
  4 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  8  7  1  6  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  1  0  0  0
 10 11  1  6  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-72.72891281,163.62336344,-66.58245112,124.69427271,200.51591549,208.03023828
252.14413838,-2.65217331,-0.85788403,2.84594055

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449818/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.06846

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-1.33154

>  <SCORE.INTRA.DIHEDRAL>
-1.02803

>  <SCORE.INTRA.DIHEDRAL.0>
7.8995

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.817519

>  <SCORE.INTRA.VDW.0>
-0.0982877

>  <SCORE.INTRA.norm>
-0.0512129

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.271864

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  210.1464  192.8922  242.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5543  191.8337  243.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2536  192.3055  244.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0270  192.6504  242.7850 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.9131  193.3430  243.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8135  191.4174  242.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8960  193.6725  241.7929 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2173  193.2716  241.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4833  195.0130  241.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1274  195.2921  241.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7362  196.6178  241.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7117  197.6094  241.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0433  197.2238  241.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4583  195.9397  241.6542 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-42.24000338,207.61214023,193.99811630,242.26514396,-1.30516865,0.08216365
-0.32179338

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449819/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.98456

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-2.41544

>  <SCORE.INTRA.DIHEDRAL>
-8.32408

>  <SCORE.INTRA.DIHEDRAL.0>
12.3842

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.7466

>  <SCORE.INTRA.VDW.0>
-1.47124

>  <SCORE.INTRA.norm>
-0.172531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.284612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002742

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 31  0  0  0  0  0  0  0  0999 V2000
  197.6183  221.8266  253.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7343  222.4621  252.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0107  221.7142  251.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1687  220.3207  251.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0663  219.6934  252.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7840  220.4443  253.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3766  219.5146  250.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1042  218.9982  250.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1695  218.2827  250.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2292  217.8772  251.3213 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.6303  218.3842  252.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7516  219.1273  252.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2948  219.7612  253.3805 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5387  219.4228  254.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1411  218.3556  254.0818 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.7374  219.8363  255.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0022  219.6044  256.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6608  220.2767  257.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7780  220.8799  257.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8283  220.6076  256.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8465  221.7220  257.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8392  222.2165  257.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8474  223.0731  257.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8883  223.4547  258.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9268  222.9701  259.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9167  222.1074  259.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8123  221.5379  260.5107 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-92.50830731,178.53999334,177.12817366,-177.87546875,194.96499627,220.47431337
255.04094022,-1.84727893,0.57850657,1.34581627

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449820/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.29135

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-4.10865

>  <SCORE.INTRA.DIHEDRAL>
-7.42012

>  <SCORE.INTRA.DIHEDRAL.0>
9.49874

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.398586

>  <SCORE.INTRA.VDW.0>
-2.39105

>  <SCORE.INTRA.norm>
-0.152172

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.195976

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000464

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  215.2151  179.3665  248.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9891  180.4556  249.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1570  180.3072  250.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5515  179.0820  251.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7838  177.9976  250.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6207  178.1204  249.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7637  176.9985  248.2591 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.5173  177.2075  247.2841 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6481  176.0905  246.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1276  174.9893  246.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4682  176.2945  245.4221 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8377  181.7801  251.9418 Br  0  0  0  0  0  0  0  0  0  0  0  0
  216.9211  177.1832  245.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6341  175.5216  244.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
2.50213482,-0.09191748,214.55415105,179.19085386,249.64612774,-1.19446960
0.91202861,0.46226867

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449822/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.59467

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.805334

>  <SCORE.INTRA.DIHEDRAL>
-2.30633

>  <SCORE.INTRA.DIHEDRAL.0>
2.31312

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.34783

>  <SCORE.INTRA.VDW.0>
0.0379382

>  <SCORE.INTRA.norm>
-0.0671111

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.549556

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000335

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  209.1441  198.4032  240.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6636  199.3901  241.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0468  200.7261  240.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9090  201.0770  239.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3919  200.0863  239.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0040  198.7611  239.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4938  197.8252  238.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3093  202.4880  239.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0682  202.8094  238.7969 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7886  203.5249  240.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9255  203.1593  241.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5263  201.7524  241.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7693  201.4395  242.7599 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4204  204.1248  242.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7764  205.4637  242.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6365  205.8331  241.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1456  204.8748  240.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9877  205.3040  239.4837 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9900  207.1452  241.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1502  196.9508  238.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2673  204.5285  238.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.5887  207.2358  240.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
-0.43453103,-179.96632039,-0.39538206,209.61943180,202.36123613,240.56989627
1.56628917,-0.90200236,-2.91021376

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449823/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.4398

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284211

>  <SCORE.INTRA>
-0.960196

>  <SCORE.INTRA.DIHEDRAL>
0.000395397

>  <SCORE.INTRA.DIHEDRAL.0>
9.9626e-05

>  <SCORE.INTRA.POLAR>
-0.206918

>  <SCORE.INTRA.POLAR.0>
-0.0206987

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.256872

>  <SCORE.INTRA.VDW.0>
0.99528

>  <SCORE.INTRA.norm>
-0.0505366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.233674

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006420

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  207.8503  184.0855  247.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6597  184.2016  246.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8416  185.3788  245.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7409  185.4540  244.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0923  186.5370  243.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2380  186.1637  242.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5390  185.9928  243.3989 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2061  187.1300  243.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8442  188.2781  243.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3725  186.9425  244.7429 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.8169  185.5254  244.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6087  185.2178  245.8537 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2085  184.5733  244.2046 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9518  184.7106  243.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2495  183.7082  243.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0686  187.5749  246.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2215  186.8682  247.1472 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0941  187.5625  248.4346 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1161  186.7520  249.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1480  187.1809  250.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5550  187.0808  251.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5453  187.9190  250.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5218  187.6090  249.0465 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.1908  186.2922  248.7865 N   0  3  0  0  0  0  0  0  0  0  0  0
  213.1965  186.2953  248.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.7507  185.5163  249.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.0591  186.0638  247.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4339  183.6169  244.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  1  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 18 17  1  6  0  0  0
 18 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  CHG  1  24   1
M  END
>  <CHROM.1>
174.12660552,-172.49016762,72.40988733,-65.13216674,-73.70611826,128.00187066
129.74104503,167.13635178,209.24665201,186.16593004,246.28834402,1.09558398
0.33692698,1.49276226

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449824/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.40857

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-3.99143

>  <SCORE.INTRA.DIHEDRAL>
0.791905

>  <SCORE.INTRA.DIHEDRAL.0>
4.61655

>  <SCORE.INTRA.POLAR>
-1.1265

>  <SCORE.INTRA.POLAR.0>
-0.235951

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.55728

>  <SCORE.INTRA.VDW.0>
-2.96279

>  <SCORE.INTRA.norm>
-0.16631

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.350357

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001792

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  188.8931  213.3232  257.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2606  214.1745  256.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6401  214.0608  255.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6466  213.0902  255.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2798  212.2489  256.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8997  212.3683  257.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0373  212.9383  253.8808 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.3175  211.5688  253.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6508  210.1042  253.9477 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.6291  211.5920  251.4647 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  189.0985  211.3116  252.9744 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.6393  213.2986  253.9769 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.2077  212.6710  254.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
114.77422523,63.02224182,-62.48462907,187.56824234,212.07052515,254.24799424
-1.28683894,-0.19497340,-1.95349465

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449825/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.317394

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-7.71739

>  <SCORE.INTRA.DIHEDRAL>
-9.4919

>  <SCORE.INTRA.DIHEDRAL.0>
10.7788

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.97145

>  <SCORE.INTRA.VDW.0>
0.471826

>  <SCORE.INTRA.norm>
-0.643116

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
-0.0264495

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022814

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  196.6436  215.1970  258.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7794  215.7870  257.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8163  216.0787  256.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7099  215.7834  255.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5415  215.2583  255.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5385  214.9220  257.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4808  214.8659  255.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9803  216.6842  255.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9176  217.1906  255.0788 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7565  214.2932  254.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8714  215.6300  254.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <CHROM.1>
47.26418343,196.99103537,215.73651292,256.14891638,-2.94989929,-0.38951631
-1.37232529

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449866/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.07412

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.325881

>  <SCORE.INTRA.DIHEDRAL>
-0.209826

>  <SCORE.INTRA.DIHEDRAL.0>
0.610427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.220968

>  <SCORE.INTRA.VDW.0>
-0.0336326

>  <SCORE.INTRA.norm>
-0.036209

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.674902

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000546

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  191.8774  213.0844  257.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5212  213.0631  258.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5474  211.8697  259.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8717  210.6758  258.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2297  210.6792  257.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2295  211.8898  256.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5799  211.9066  255.2510 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.5481  212.9960  254.6634 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8871  210.8291  254.7220 O   0  5  0  0  0  0  0  0  0  0  0  0
  191.8622  209.1630  259.5664 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.0304  211.8645  260.7083 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7213  211.7628  261.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.2354  211.2381  260.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <CHROM.1>
-110.12463721,192.00870451,211.33001430,257.74986240,0.85459093,1.26836859
-0.52716845

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449867/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87924

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.520755

>  <SCORE.INTRA.DIHEDRAL>
-0.196073

>  <SCORE.INTRA.DIHEDRAL.0>
0.611688

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.422719

>  <SCORE.INTRA.VDW.0>
-0.103279

>  <SCORE.INTRA.norm>
-0.0473414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.534477

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  214.2139  218.6379  251.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7240  218.6903  250.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0595  219.9452  251.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5878  220.0029  251.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5330  219.9878  252.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2424  220.1309  251.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3911  220.1367  250.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0198  220.1914  249.5916 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.4917  220.1308  249.0348 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0532  221.3406  248.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7561  222.3263  248.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5426  221.3348  248.2535 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8567  222.6401  247.7795 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4229  223.1896  246.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0196  222.1250  245.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1783  221.1404  246.2706 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.5169  222.0816  247.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1414  220.3154  247.1608 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4638  219.0964  247.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2935  218.7889  247.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2461  218.4021  248.6119 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9962  220.3749  252.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9093  220.4003  253.3995 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9270  220.3516  251.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6349  220.4850  251.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5991  220.4264  250.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8208  219.3672  249.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8079  217.6348  249.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  6  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
179.93442915,117.12547001,-4.70949059,91.42111471,39.96326564,174.44478068
114.66813848,177.91438626,175.74380187,-179.69664668,207.14256921,220.44835244
249.48130254,-0.51675116,0.05034474,-1.28037812

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449868/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.8226

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.553846

>  <SCORE.INTRA>
-11.5774

>  <SCORE.INTRA.DIHEDRAL>
-11.7215

>  <SCORE.INTRA.DIHEDRAL.0>
14.2277

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.31667

>  <SCORE.INTRA.VDW.0>
-2.57967

>  <SCORE.INTRA.norm>
-0.445285

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.108562

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  220.8195  180.0088  252.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8731  181.4490  253.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2145  181.9602  253.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7300  181.9443  251.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7279  180.5233  251.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3808  179.9455  251.3808 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.7878  179.4703  250.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3631  179.4769  249.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3990  178.9556  250.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8035  178.5062  249.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1937  177.9111  249.2117 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.25197513,220.36130914,179.79403791,250.87906071,0.75940406,0.33980670
1.12050794

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449869/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39988

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.000122587

>  <SCORE.INTRA.DIHEDRAL>
-0.000263803

>  <SCORE.INTRA.DIHEDRAL.0>
0.00127779

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
9.31429e-06

>  <SCORE.INTRA.VDW.0>
0.123482

>  <SCORE.INTRA.norm>
-1.11443e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.581807

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.155394

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  217.1032  180.1960  245.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4364  178.9477  245.9394 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7936  178.7369  246.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4873  178.0877  244.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8669  177.9178  245.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5611  178.3840  246.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8827  178.9973  247.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4997  179.1827  247.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7975  179.6469  248.6211 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.8907  180.5062  249.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.3813  178.5089  249.2889 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0546  180.5391  247.9009 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.4383  180.1116  248.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1371  180.4219  246.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1651  181.1333  245.9986 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.0372  181.1491  246.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8418  181.8086  246.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8635  182.2072  244.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7719  182.8891  244.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6608  183.1659  244.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6366  182.7711  246.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7365  182.1124  246.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7142  177.5578  243.5386 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-89.14809165,165.59705750,-118.77263058,-170.73298637,220.92259594,180.00300880
246.39885693,3.08646162,0.63006316,2.71864752

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449871/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.11212

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-4.28788

>  <SCORE.INTRA.DIHEDRAL>
2.12452

>  <SCORE.INTRA.DIHEDRAL.0>
6.44826

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.35014

>  <SCORE.INTRA.VDW.0>
1.30331

>  <SCORE.INTRA.norm>
-0.186429

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.222266

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  201.7574  195.0633  244.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7085  195.6605  245.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0156  196.0084  246.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0321  195.5192  247.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0022  194.8806  246.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8316  194.6207  245.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3527  194.6907  243.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5917  195.4638  244.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8854  194.9398  244.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9492  195.7616  244.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7325  197.1143  245.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4656  197.6386  244.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4265  196.8352  244.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7907  197.8347  245.7669 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5639  198.9710  245.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3067  200.1066  246.0966 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7251  197.2577  246.9829 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6632  197.7600  248.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5622  198.2426  249.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
179.54634522,127.62028118,115.19854000,-179.91355113,204.22322358,196.60613746
245.73441306,3.11092285,0.25782722,0.62507025

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449872/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.7911

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-1.6089

>  <SCORE.INTRA.DIHEDRAL>
-3.30943

>  <SCORE.INTRA.DIHEDRAL.0>
4.15844

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.04581

>  <SCORE.INTRA.VDW.0>
-0.381956

>  <SCORE.INTRA.norm>
-0.0846792

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.410058

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004924

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  198.9521  213.2261  252.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9108  213.3909  251.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5866  213.1189  250.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3097  212.6669  250.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3512  212.5031  251.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6729  212.7851  252.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0870  212.4955  248.6821 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2680  211.3895  248.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9684  210.0994  248.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9120  209.6377  248.0974 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4460  209.5288  249.8998 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9942  208.3639  250.3591 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4729  207.8285  251.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9952  206.5731  251.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5909  205.8441  253.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3775  204.6700  253.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3397  204.5553  252.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2984  205.8122  251.1002 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.5841  203.1555  252.1812 Br  0  0  0  0  0  0  0  0  0  0  0  0
  196.6209  209.9141  250.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
143.36188084,-63.35906357,-76.74108531,-178.21122409,179.71417374,198.89004761
207.97574195,251.11654962,-2.48651576,1.33070745,-2.46211396

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449873/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.67634

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-0.723657

>  <SCORE.INTRA.DIHEDRAL>
0.297868

>  <SCORE.INTRA.DIHEDRAL.0>
2.97744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.872591

>  <SCORE.INTRA.VDW.0>
0.073195

>  <SCORE.INTRA.norm>
-0.0380872

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.509281

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  199.4984  215.2328  253.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4647  216.3606  253.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1585  216.9956  252.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1266  216.7510  251.4831 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9105  217.4873  250.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7009  218.3638  250.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7936  217.1702  249.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5763  217.9170  248.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4800  217.7007  246.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5963  216.7411  246.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8083  215.9996  247.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9012  216.2136  248.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5757  216.6939  255.1582 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3726  217.6858  255.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0971  218.4600  255.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3501  217.8532  257.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1961  218.8392  257.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3211  219.0034  259.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5960  218.1832  259.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7437  217.2059  259.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6180  217.0351  258.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5648  215.9921  251.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9749  216.1767  255.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
179.57963841,178.24385672,201.41853001,217.32329735,253.20757089,1.61688721
0.82757470,1.44956541

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449890/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79015

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-1.60985

>  <SCORE.INTRA.DIHEDRAL>
-4.67066

>  <SCORE.INTRA.DIHEDRAL.0>
4.70262

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.725476

>  <SCORE.INTRA.VDW.0>
-0.0588232

>  <SCORE.INTRA.norm>
-0.0766596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.275721

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.156199

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  189.8886  224.2656  260.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0232  225.1162  259.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4848  224.6243  258.3492 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5324  225.2936  257.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1325  226.2153  258.3255 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9997  224.6054  256.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7109  223.2773  256.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6157  222.6353  255.0361 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.2809  224.1682  254.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9225  225.1486  255.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5566  226.4785  255.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9754  227.5889  256.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5529  228.8618  256.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7279  229.0277  255.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3266  227.9478  254.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7328  226.6841  254.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2838  230.2421  255.2470 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.8364  222.3685  256.8827 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3065  221.1247  257.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2852  220.1169  256.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9548  221.0468  258.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0508  222.2180  259.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7316  222.2236  260.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3158  221.0420  261.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2247  219.8694  260.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5416  219.8664  259.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7638  223.4366  261.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7954  223.4356  262.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0423  222.7484  257.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-178.47648218,4.51803718,-18.79107215,-129.38864233,-24.27100411,-92.60581803
-0.43399674,149.01944363,193.50719683,224.23072814,257.55429474,2.99199501
-1.28122195,-2.30002761

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449891/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.34865

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-11.0514

>  <SCORE.INTRA.DIHEDRAL>
-19.7454

>  <SCORE.INTRA.DIHEDRAL.0>
25.345

>  <SCORE.INTRA.POLAR>
-0.251017

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.325194

>  <SCORE.INTRA.VDW.0>
-0.995295

>  <SCORE.INTRA.norm>
-0.394691

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.0838803

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000758

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  186.6901  218.8615  264.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8252  218.6709  263.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4599  218.5802  262.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3697  218.3766  260.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0034  219.5116  260.3108 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1767  216.8051  260.4640 P   0  0  0  0  0  0  0  0  0  0  0  0
  185.1690  215.9562  261.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5820  216.8439  258.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9396  215.3194  260.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5215  218.4001  260.7225 P   0  0  0  0  0  0  0  0  0  0  0  0
  182.8573  219.6753  261.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3033  218.1300  259.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.7920  217.1210  261.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0728  218.9486  265.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9998  219.1350  266.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3514  219.1947  267.3820 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8639  219.3736  259.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.5421  215.9345  258.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2361  214.9566  260.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.9851  217.5436  258.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.3817  216.3317  261.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.8156  218.2965  267.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.3090  219.3681  268.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.97283308,-179.85566039,-179.73178510,-61.14303470,-175.91630961,64.03646493
61.99714362,-155.47101758,-68.45383876,33.03943187,-28.29870129,179.36562707
-66.81161722,185.61171884,217.98625403,261.86139327,0.91385489,-0.52843139
0.96482585

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449892/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.45823

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8375

>  <SCORE.INTRA>
-8.94177

>  <SCORE.INTRA.DIHEDRAL>
-7.40825

>  <SCORE.INTRA.DIHEDRAL.0>
10.9577

>  <SCORE.INTRA.POLAR>
-1.26933

>  <SCORE.INTRA.POLAR.0>
-0.45724

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.921927

>  <SCORE.INTRA.VDW.0>
-2.50284

>  <SCORE.INTRA.norm>
-0.558861

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.278639

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.177670

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  219.2601  189.4689  246.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3232  189.0064  245.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5370  189.1895  244.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6939  189.8324  243.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6267  190.2993  244.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4111  190.1163  246.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9230  190.0237  242.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9488  189.0354  241.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5528  187.5977  241.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8129  186.9905  243.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4505  185.6548  243.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7964  184.9266  242.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5439  185.5223  241.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9256  186.8457  240.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7349  185.0683  244.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2810  185.6910  245.6036 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3762  183.7721  244.8249 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5696  183.3670  245.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
-103.41710291,56.86523523,-81.73040174,-0.83384149,179.02032776,220.09079880
187.52360862,243.70487667,-3.00182926,1.44440908,-1.44248292

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449893/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.84645

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-3.55355

>  <SCORE.INTRA.DIHEDRAL>
-4.56945

>  <SCORE.INTRA.DIHEDRAL.0>
6.05909

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.26882

>  <SCORE.INTRA.VDW.0>
-0.475435

>  <SCORE.INTRA.norm>
-0.209032

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.343909

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.031272

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  187.2633  210.4808  259.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6311  211.0694  258.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6125  212.4630  258.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1775  213.3063  259.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8265  212.6787  260.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8734  211.2853  260.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1330  214.7890  259.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5677  215.2433  258.0885 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.5461  216.5638  257.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0959  217.4786  258.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1245  218.8438  258.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5951  219.3221  257.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0063  218.4009  256.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9772  217.0357  256.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7623  220.7791  256.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3608  221.2118  256.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2307  221.5170  257.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6810  222.8779  258.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1849  222.9046  258.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9355  223.7039  257.7641 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7802  221.9116  259.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9097  221.0957  260.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4300  220.1665  260.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8143  220.0381  261.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6757  220.8465  260.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1642  221.7817  259.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5216  219.3261  261.7187 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.3036  219.4779  261.5565 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0295  218.5161  262.5080 O   0  5  0  0  0  0  0  0  0  0  0  0
  186.6619  217.0434  260.0213 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6885  215.6954  260.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2317  215.3561  261.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4705  216.2376  262.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0397  215.9516  264.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3462  214.7751  264.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0987  213.8828  263.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5623  214.1575  261.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 31  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <CHROM.1>
-50.64509525,167.83495760,161.05997766,-62.79796601,139.55348404,-8.06344555
146.55613107,187.80860514,217.61948442,259.73260524,3.11654012,1.29192480
1.34347907

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449894/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.57245

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335135

>  <SCORE.INTRA>
-2.82755

>  <SCORE.INTRA.DIHEDRAL>
-2.35555

>  <SCORE.INTRA.DIHEDRAL.0>
10.5956

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.64977

>  <SCORE.INTRA.VDW.0>
-0.848527

>  <SCORE.INTRA.norm>
-0.0764203

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.258715

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001484

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  208.1575  189.7733  246.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4338  191.2586  246.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9669  191.7977  245.1129 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.2708  190.9993  244.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4073  191.6712  244.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3578  191.0351  243.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2302  189.8187  242.9427 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0475  189.2275  243.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0240  189.7853  243.7215 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8207  187.9869  242.5422 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1892  186.7774  243.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0752  186.3014  244.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4929  185.6869  242.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5662  191.6763  243.2241 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7638  192.4638  242.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1922  193.8769  242.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2616  192.5436  241.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0279  187.9667  241.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9906  191.9879  244.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
-71.02619914,-86.07037018,-90.72545801,85.56273973,87.56957513,82.78166074
210.26228796,190.25972910,243.73656730,2.40823978,-0.68998598,-2.88934410

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449895/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7181

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-0.68192

>  <SCORE.INTRA.DIHEDRAL>
0.123566

>  <SCORE.INTRA.DIHEDRAL.0>
3.89628

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.743703

>  <SCORE.INTRA.VDW.0>
-1.21036

>  <SCORE.INTRA.norm>
-0.040113

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.630475

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  219.8253  184.4037  242.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5146  183.6166  241.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6215  182.6019  240.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5578  181.8305  239.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9110  180.7087  239.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3797  183.2417  240.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0999  182.9112  240.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8822  183.4312  239.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6995  182.0035  241.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6437  184.2910  239.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-174.79360181,176.20643454,-118.00358139,218.71627583,182.90350605,240.48934261
-0.00458116,-0.14061304,0.81828622

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449896/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.9056

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-1.4944

>  <SCORE.INTRA.DIHEDRAL>
-0.739038

>  <SCORE.INTRA.DIHEDRAL.0>
1.22818

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12488

>  <SCORE.INTRA.VDW.0>
1.05338

>  <SCORE.INTRA.norm>
-0.14944

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.69056

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006942

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  197.7094  216.0994  253.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4671  217.2694  252.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5815  218.5263  252.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7364  217.5442  253.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8885  216.9231  251.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7167  216.6205  250.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1805  216.2618  249.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0666  217.0574  248.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8289  214.9076  248.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8166  213.7599  249.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4120  212.3374  248.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4336  212.0316  249.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2653  211.3131  248.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0826  212.1839  247.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
60.73934119,-178.85460208,-105.46975996,72.58868335,-179.01856533,61.02586296
198.37088250,215.20046471,250.40968855,-1.60391425,1.46393003,-2.41802556

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449897/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.4072

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.814286

>  <SCORE.INTRA>
-0.992813

>  <SCORE.INTRA.DIHEDRAL>
-1.34773

>  <SCORE.INTRA.DIHEDRAL.0>
3.90242

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.318947

>  <SCORE.INTRA.VDW.0>
2.673

>  <SCORE.INTRA.norm>
-0.0709152

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.743371

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021930

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  196.3302  193.0543  239.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5227  192.1889  239.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7902  192.5725  238.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9265  191.7828  239.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7773  190.5819  239.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5034  190.1827  240.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3875  190.9863  240.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8877  189.7569  240.1305 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9112  188.4163  239.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0151  187.7145  239.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2923  187.8911  240.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0655  189.0879  240.6833 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.0493  190.2020  240.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2575  191.3104  241.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4376  189.5438  239.5667 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.6555  190.0404  240.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6819  189.3287  241.1048 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3751  190.0949  242.0150 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7474  191.2516  242.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6662  191.2742  241.3047 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7409  192.3502  241.0736 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0674  192.3719  243.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1839  192.1682  243.7986 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.2591  193.5360  242.3719 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.0506  192.6159  243.9251 F   0  0  0  0  0  0  0  0  0  0  0  0
  201.2395  192.1926  238.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6783  192.5735  240.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7889  192.1521  241.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  6  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
-128.07715617,-144.18163176,100.55614671,2.05953637,-53.34176126,202.99191653
190.88262805,240.75122586,2.96834245,0.31236787,-2.84032151

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449906/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.43161

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.96839

>  <SCORE.INTRA.DIHEDRAL>
1.71892

>  <SCORE.INTRA.DIHEDRAL.0>
13.0021

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.572153

>  <SCORE.INTRA.VDW.0>
-4.03366

>  <SCORE.INTRA.norm>
-0.0757072

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.324293

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000031

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 48 55  0  0  0  0  0  0  0  0999 V2000
  194.1326  210.7803  252.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5685  212.1613  252.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4021  213.2825  252.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8480  214.5286  251.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4541  214.6584  251.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5297  213.5633  251.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1594  212.3254  252.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8296  213.6622  252.3335 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.0564  214.5357  253.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6349  213.9652  254.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5626  214.6740  255.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5974  216.1705  255.4252 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.5353  216.8307  254.5208 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.1403  216.0054  253.2949 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.9413  216.3087  252.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9778  215.5334  251.0065 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.4070  214.1814  251.2342 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.1380  213.8715  249.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2326  214.3615  248.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2231  213.2542  248.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1254  213.1465  249.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1870  214.8632  250.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9828  215.5962  249.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7098  211.7348  250.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4532  211.3751  250.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1936  210.1702  251.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1421  209.1737  251.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3052  209.3812  250.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5831  210.6373  250.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9031  214.1884  251.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4871  213.2970  252.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2657  213.4100  253.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3702  214.3884  253.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7331  215.2751  252.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9820  215.1812  251.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2801  218.0712  254.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8009  218.9729  253.4247 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6021  218.0385  254.5518 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8999  216.7397  254.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9963  216.2120  254.9421 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9670  219.0177  255.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1988  219.1815  256.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4360  220.2723  257.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4142  221.2145  257.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1738  221.0632  256.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9692  219.9578  255.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7587  213.2230  252.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1245  214.1184  252.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 47  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  6  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 39  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  6  0  0  0
 14 15  1  1  0  0  0
 16 15  1  1  0  0  0
 16 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  2  0  0  0  0
 41 46  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <CHROM.1>
-179.62489318,-52.01659184,-27.19169681,-58.65505025,51.21384817,190.58532369
214.87877075,252.70119241,-2.09931800,-0.17270479,0.52948644

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449907/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35204

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2

>  <SCORE.INTRA>
-2.04796

>  <SCORE.INTRA.DIHEDRAL>
-0.877395

>  <SCORE.INTRA.DIHEDRAL.0>
11.7171

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.60926

>  <SCORE.INTRA.VDW.0>
-3.51082

>  <SCORE.INTRA.norm>
-0.0435735

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
47

>  <SCORE.norm>
0.156426

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.178437

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  208.7733  188.1052  245.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2572  188.8412  246.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1352  187.8794  248.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5810  188.5222  249.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2331  189.1386  249.3291 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1727  188.1050  249.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8501  188.4729  248.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9944  188.7763  247.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6407  189.1025  246.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0638  190.0496  250.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0792  191.5530  250.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0862  191.9116  249.1809 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3237  191.7648  247.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3966  191.3488  247.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2233  192.1530  246.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9766  192.3305  247.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8821  192.6792  246.6362 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0807  193.0252  245.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9886  193.5429  244.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1400  193.9378  243.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3754  193.8030  242.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4614  193.2707  243.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3047  192.8908  244.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4347  192.3516  245.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5027  192.1112  244.9127 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6745  192.1693  248.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1417  192.1333  249.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7145  192.3345  248.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-178.27530280,59.35540730,75.42923565,-151.55492060,107.91977097,61.59304086
178.89270133,55.79185943,-83.06623690,-14.87782026,-179.23819567,204.60698876
191.01146186,246.99900129,-0.74669606,0.58058007,-1.29222628

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449908/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.868

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.592308

>  <SCORE.INTRA>
-7.532

>  <SCORE.INTRA.DIHEDRAL>
3.78942

>  <SCORE.INTRA.DIHEDRAL.0>
1.67523

>  <SCORE.INTRA.POLAR>
-0.632457

>  <SCORE.INTRA.POLAR.0>
-0.0195346

>  <SCORE.INTRA.REPUL>
-0.241466

>  <SCORE.INTRA.REPUL.0>
0.241466

>  <SCORE.INTRA.VDW>
-6.06903

>  <SCORE.INTRA.VDW.0>
0.838622

>  <SCORE.INTRA.norm>
-0.289692

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.302616

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  204.6391  224.1438  249.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5089  223.5057  251.0216 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.5001  222.4644  251.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8489  223.2141  251.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8995  224.8014  251.9575 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9609  224.5096  253.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0449  223.3869  253.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7025  223.6446  254.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8374  222.5981  254.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3131  221.2896  254.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6545  221.0218  254.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5190  222.0681  253.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2324  219.9924  254.8469 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.6313  225.3291  251.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5723  224.4974  251.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3505  225.0592  250.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1873  226.4526  250.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2691  227.2873  251.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4895  226.7201  251.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8180  226.9723  250.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9416  226.1345  250.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6604  228.3466  250.4814 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4314  229.0239  250.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4559  230.4179  250.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2766  231.1309  249.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0619  230.4600  249.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0199  229.0804  249.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1990  228.3677  250.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4959  228.9154  250.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-169.77208534,-66.34887729,44.28207593,-85.97887397,-2.55537167,-174.67624453
200.96033111,225.01750402,251.77989504,-0.86322817,0.24520983,-0.60622648

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449909/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71693

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-3.68307

>  <SCORE.INTRA.DIHEDRAL>
-6.79453

>  <SCORE.INTRA.DIHEDRAL.0>
8.32227

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.285805

>  <SCORE.INTRA.VDW.0>
-2.3498

>  <SCORE.INTRA.norm>
-0.131538

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.275605

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000855

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 18  0  0  0  0  0  0  0  0999 V2000
  203.5614  209.3135  249.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8200  208.9273  248.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4123  208.4622  246.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1882  207.1925  246.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9085  206.8201  247.9737 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6817  207.8815  248.9737 N   0  0  2  0  0  0  0  0  0  0  0  0
  205.0325  207.2319  250.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1955  205.8680  249.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5389  205.5562  248.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2424  204.9914  251.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6172  203.6423  251.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8193  202.8976  252.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6522  203.4786  253.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2556  204.8138  253.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0501  205.5540  252.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7394  210.1610  248.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-169.31602805,205.21861177,206.51514682,249.87718043,1.91534269,1.32073306
-1.10135703

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449910/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.45973

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.940267

>  <SCORE.INTRA.DIHEDRAL>
-2.19825

>  <SCORE.INTRA.DIHEDRAL.0>
2.43203

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.158857

>  <SCORE.INTRA.VDW.0>
-0.290067

>  <SCORE.INTRA.norm>
-0.0587667

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.341233

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038216

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  208.6693  195.5764  238.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9511  195.1931  239.8315 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5215  195.7184  239.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8349  195.5875  241.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8510  194.3620  242.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7246  193.3125  242.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5903  192.0850  243.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4295  192.1093  244.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2616  193.5239  244.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8626  194.4920  243.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4055  194.2041  243.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9181  195.9136  244.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0429  193.2285  241.4593 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.8731  193.7024  240.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5050  192.8506  239.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2251  193.8375  242.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5259  193.3209  242.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6078  193.9540  242.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4094  195.0938  243.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1236  195.5816  243.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0520  194.9826  243.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8535  196.6581  244.5159 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8152  192.1618  241.5119 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6856  196.9703  244.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.9723  191.7992  241.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  1  0  0  0
 14 15  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
145.54320154,-2.56446999,0.67296982,207.73417983,194.25238108,242.20970786
0.17378329,-0.04735543,-1.65274015

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449911/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64808

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.278261

>  <SCORE.INTRA>
-0.751919

>  <SCORE.INTRA.DIHEDRAL>
-2.52096

>  <SCORE.INTRA.DIHEDRAL.0>
3.29243

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.508563

>  <SCORE.INTRA.VDW.0>
-1.93286

>  <SCORE.INTRA.norm>
-0.0326921

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.245569

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004377

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  173.5439  174.4235  364.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.2961  173.7633  364.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
  171.2124  174.3100  364.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.4095  173.4344  365.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.2762  173.9281  366.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.9041  175.2744  366.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
  169.6902  176.1274  365.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.8384  175.6523  364.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.6691  175.7806  366.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.9543  176.1962  368.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.5100  175.1247  369.0491 N   0  0  0  0  0  0  0  0  0  0  0  0
  169.8726  174.9444  369.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.6656  175.6648  368.4891 O   0  0  0  0  0  0  0  0  0  0  0  0
  170.3018  173.7796  369.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.6075  173.4620  369.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.1859  172.3284  370.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.5670  172.1015  370.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.1523  171.0003  371.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.3615  170.1089  371.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.9874  170.3177  372.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.4020  171.4181  371.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.8190  172.1244  365.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
  171.1163  171.6370  366.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  167.8941  174.4841  369.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-130.65679288,118.76210436,86.22975900,-57.95818660,88.49420681,176.15718607
178.09099272,170.92464020,173.61983411,367.88577859,-2.03582081,-0.66812102
1.85281441

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449912/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.96135

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-4.43865

>  <SCORE.INTRA.DIHEDRAL>
2.14092

>  <SCORE.INTRA.DIHEDRAL.0>
6.23345

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.50912

>  <SCORE.INTRA.VDW.0>
3.83383

>  <SCORE.INTRA.norm>
-0.192985

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.346145

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000134

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  218.4813  197.7499  240.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3712  196.3085  240.4261 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.9150  195.6190  241.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0052  194.0901  241.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4112  193.5979  241.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6634  194.2869  239.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6738  195.8053  239.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5175  193.8810  242.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1912  194.1648  243.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8184  193.5119  241.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0186  193.4386  242.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0125  192.9010  241.7413 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3985  192.6276  240.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0776  192.9965  240.5872 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.9420  191.9952  239.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1273  191.8093  238.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6356  191.2366  237.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9655  190.8322  237.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7795  190.9743  238.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2742  191.5410  239.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3950  191.6680  240.6503 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.3278  193.7623  244.2048 S   0  0  0  0  0  0  0  0  0  0  0  0
  223.0039  195.1548  244.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6265  192.6958  244.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0629  193.6219  244.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9102  194.7054  244.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2859  194.4911  244.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8109  193.2056  244.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9687  192.1317  244.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5938  192.3360  244.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
20.11395505,-169.19381323,-61.86859852,-178.74318347,83.42100639,223.00162777
193.41778102,241.70819789,3.13863911,0.40705259,-1.93046367

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449913/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.4481

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-15.8481

>  <SCORE.INTRA.DIHEDRAL>
-33.3573

>  <SCORE.INTRA.DIHEDRAL.0>
40.8563

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.830563

>  <SCORE.INTRA.VDW.0>
-1.62145

>  <SCORE.INTRA.norm>
-0.52827

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
-0.181603

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002911

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  188.0254  221.8208  256.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4568  222.1905  256.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9974  221.2832  254.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4690  221.5972  254.5028 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.6269  223.0732  254.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7166  223.4574  252.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9407  224.9115  252.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3945  221.3813  255.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4036  219.9502  256.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3289  219.8382  257.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8540  220.6523  253.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2989  220.7933  252.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5705  219.8279  251.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
-179.44178474,-57.93295218,-57.25848465,61.62112207,-177.27117046,-179.97874164
-179.82292000,179.93642749,191.46790831,221.59825098,254.50437931,1.89055074
-0.63805356,2.10966795

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449946/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.091

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03077

>  <SCORE.INTRA>
-0.308984

>  <SCORE.INTRA.DIHEDRAL>
-0.216591

>  <SCORE.INTRA.DIHEDRAL.0>
0.273483

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.200689

>  <SCORE.INTRA.VDW.0>
2.45749

>  <SCORE.INTRA.norm>
-0.023768

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
1.007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.251653

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  209.9652  194.9217  241.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6393  196.3257  241.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2454  196.3824  242.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9127  197.7514  242.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7789  197.9349  243.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4245  197.0587  245.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3793  196.2209  245.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7736  196.2159  244.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5400  195.0404  244.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8444  195.0295  244.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3830  196.1981  243.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6358  197.3788  243.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3465  197.3877  244.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7425  196.1914  243.1451 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.3922  195.1370  243.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1598  197.2372  242.6298 O   0  5  0  0  0  0  0  0  0  0  0  0
  208.9062  195.0229  246.4665 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <CHROM.1>
176.34916511,-67.03065010,-68.97910511,117.97861109,-158.01666662,210.96145167
196.22056093,243.89116546,2.95311962,-0.11083520,1.91857320

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449947/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.56594

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-1.83406

>  <SCORE.INTRA.DIHEDRAL>
-3.29227

>  <SCORE.INTRA.DIHEDRAL.0>
6.33452

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.187927

>  <SCORE.INTRA.VDW.0>
-1.1181

>  <SCORE.INTRA.norm>
-0.107886

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.503879

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000173

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  212.4724  204.4990  250.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9326  205.6403  250.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5599  205.0616  248.8824 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0431  205.9468  247.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9859  207.1634  248.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6828  205.1907  246.8248 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.8493  204.3433  247.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6922  203.3780  248.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2317  204.6980  246.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4698  204.1622  246.0122 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
-179.87306778,0.77819231,-61.41479017,65.29632411,214.26295556,204.89562213
247.84194391,-2.21131964,0.15041811,-1.74559132

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449948/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.66799

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-3.73201

>  <SCORE.INTRA.DIHEDRAL>
-5.79655

>  <SCORE.INTRA.DIHEDRAL.0>
7.86311

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.833737

>  <SCORE.INTRA.VDW.0>
-0.0765135

>  <SCORE.INTRA.norm>
-0.373201

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.566799

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034183

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  208.1935  197.8362  242.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7265  198.2414  242.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0290  197.9564  243.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5338  198.8274  244.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0447  198.4080  245.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4990  198.0647  243.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9871  197.0391  242.3654 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1206  195.7652  242.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5832  195.4585  243.9184 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6118  194.7877  241.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5957  194.6452  240.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
67.84666986,-169.80720124,65.49345448,65.30106998,2.96548315,74.93592643
205.35915614,196.99284673,242.97649622,-0.86459254,-0.61910988,-2.06868358

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449949/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.6615

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
-2.7385

>  <SCORE.INTRA.DIHEDRAL>
-1.21835

>  <SCORE.INTRA.DIHEDRAL.0>
3.87538

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.12933

>  <SCORE.INTRA.VDW.0>
3.03793

>  <SCORE.INTRA.norm>
-0.248955

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.787409

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.043968

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 51 54  0  0  0  0  0  0  0  0999 V2000
  217.3062  191.3039  255.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1900  190.9721  254.3537 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.9966  192.0411  253.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2383  192.4776  252.4115 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.5159  191.7192  252.8352 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.4612  191.6569  254.3825 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.5278  190.6780  254.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7126  191.6104  255.0633 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5160  192.7924  254.9023 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.8470  194.2646  255.3027 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.4786  194.5580  256.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4806  194.3406  257.6234 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.6103  195.0330  258.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3337  195.6209  258.3321 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3979  193.4811  258.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2502  193.7230  257.8687 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6172  192.4994  259.4371 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.1287  191.0490  259.0915 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.3472  190.2317  259.7100 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.0095  189.2428  258.6412 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.2241  189.7975  258.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5203  189.4422  256.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8067  188.7166  256.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8564  189.9957  256.2028 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.7239  191.1390  255.1229 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.9670  192.5154  255.5566 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.8367  192.6868  257.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0764  191.5188  254.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1395  192.5356  253.5704 C   0  0  1  0  0  0  0  0  0  0  0  0
  227.5633  192.7153  252.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9897  191.5456  252.0902 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.9465  191.3014  250.9810 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.5707  191.1841  251.6432 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.2369  192.3055  252.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4511  191.0344  250.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9801  192.3063  249.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.3077  191.7999  251.5712 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.8884  190.6670  250.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9454  190.1644  257.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3802  187.9028  259.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4036  190.9297  260.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9894  190.2177  259.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.9817  193.1818  260.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7629  195.1272  254.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6058  190.4198  252.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9684  192.7729  250.9810 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.9927  193.6010  250.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7373  191.5952  250.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8584  192.2992  249.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2219  190.4285  258.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.4528  190.0412  252.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  6  0  0  0
  5  6  1  0  0  0  0
  5 45  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  1  0  0  0
  9 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  6  0  0  0
 12 11  1  6  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  1  0  0  0
 18 19  1  0  0  0  0
 18 42  1  1  0  0  0
 19 20  1  0  0  0  0
 19 41  1  6  0  0  0
 20 21  1  0  0  0  0
 20 40  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  1  0  0  0
 25 26  1  0  0  0  0
 25 28  1  1  0  0  0
 26 27  1  1  0  0  0
 29 28  1  1  0  0  0
 29 34  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  6  0  0  0
 32 33  1  0  0  0  0
 32 36  1  6  0  0  0
 33 34  1  0  0  0  0
 33 35  1  6  0  0  0
 36 49  1  0  0  0  0
 37 38  1  0  0  0  0
 42 50  1  0  0  0  0
 45 51  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
M  END
>  <CHROM.1>
159.99479843,178.03580198,64.74251456,54.90691149,64.21593045,178.08496244
-172.45617955,169.22405211,60.77377518,222.42923787,191.82620891,255.12764195
2.42014572,-0.19988536,1.72150200

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449950/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.27081

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2375

>  <SCORE.INTRA>
-5.12919

>  <SCORE.INTRA.DIHEDRAL>
-9.83245

>  <SCORE.INTRA.DIHEDRAL.0>
13.6372

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.212968

>  <SCORE.INTRA.VDW.0>
-3.45456

>  <SCORE.INTRA.norm>
-0.106858

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
0.130642

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.058240

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  197.3677  220.0280  251.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1770  219.2849  252.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4498  218.0525  252.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3492  218.0128  253.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7038  216.7634  254.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1950  215.5663  253.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3123  215.6152  252.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9112  216.8395  252.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5115  214.4138  253.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2763  213.2616  254.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6082  216.5909  254.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3882  217.2046  254.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8164  219.0404  254.5245 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5502  220.1032  255.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-75.66345718,-34.52871276,66.12871547,-136.87668734,196.27308644,217.20612201
253.60727859,-1.17197701,-0.67584365,-3.08065063

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449951/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.67866

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-2.72134

>  <SCORE.INTRA.DIHEDRAL>
6.14044

>  <SCORE.INTRA.DIHEDRAL.0>
2.44846

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.79156

>  <SCORE.INTRA.VDW.0>
6.43854

>  <SCORE.INTRA.norm>
-0.194381

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.477047

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000099

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  203.2423  192.5331  243.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1699  193.9709  243.1265 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6702  194.1878  241.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3449  194.6435  244.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7378  196.1173  244.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1428  196.3394  244.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1945  196.7608  244.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0037  196.9475  242.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2415  198.0097  242.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0652  198.1573  240.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6730  197.2644  239.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4376  196.2089  240.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5903  196.0303  241.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4174  194.8977  242.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0645  195.4687  242.8247 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.7571  196.4806  244.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9498  196.8105  244.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9519  197.5804  246.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7483  198.0541  246.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5563  197.7517  245.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5257  196.9586  244.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
152.61084283,-63.10093709,103.71825984,205.50814157,196.13208128,243.35561354
2.70028001,-0.47284957,-1.43564685

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449952/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.1187

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-3.2813

>  <SCORE.INTRA.DIHEDRAL>
-0.00807223

>  <SCORE.INTRA.DIHEDRAL.0>
1.51084

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.27727

>  <SCORE.INTRA.VDW.0>
1.16846

>  <SCORE.INTRA.norm>
-0.156252

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.243748

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005431

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  220.4733  185.9585  246.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5277  185.1958  247.3442 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1935  183.9551  247.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7029  183.1466  246.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6472  181.9275  246.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1020  181.7725  248.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2386  183.1116  248.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5624  183.2250  249.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6811  184.5283  250.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4495  184.8228  251.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1361  184.6895  250.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0405  183.3584  249.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1948  180.7987  246.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8916  180.0750  246.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3265  180.4650  246.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
115.92811114,220.14631911,183.55469903,248.22144323,-2.53052636,1.32250457
1.88670860

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449953/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.2798

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.120205

>  <SCORE.INTRA.DIHEDRAL>
0.00508624

>  <SCORE.INTRA.DIHEDRAL.0>
0.474156

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.122748

>  <SCORE.INTRA.VDW.0>
-0.101869

>  <SCORE.INTRA.norm>
-0.00924653

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.483061

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000535

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  207.1174  215.4492  247.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6389  215.2467  247.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1493  214.3330  248.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8624  216.2090  246.8054 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4113  216.1246  246.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8035  214.7717  246.3359 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5693  214.2172  245.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3321  214.1780  243.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4120  213.4609  243.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2434  213.1174  244.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7274  213.5482  245.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7045  213.7234  247.4589 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.6428  213.6841  247.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7682  214.1277  248.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7219  213.0537  249.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4606  211.7204  249.1546 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3865  211.2800  248.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4189  212.3068  246.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1709  211.1957  249.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8281  210.1851  250.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5373  209.6500  250.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5552  210.1079  249.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8653  211.1064  248.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1559  211.6513  248.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3053  216.8569  246.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  1  12   1
M  END
>  <CHROM.1>
-53.30181304,-37.39602942,-103.14532720,-51.99640868,-105.79141529,202.51600285
213.13023604,247.37997222,-0.36194174,0.64956780,1.42848173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449962/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.52169

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-5.87831

>  <SCORE.INTRA.DIHEDRAL>
1.79544

>  <SCORE.INTRA.DIHEDRAL.0>
2.47435

>  <SCORE.INTRA.POLAR>
-1.49587

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.69007

>  <SCORE.INTRA.VDW.0>
-0.893559

>  <SCORE.INTRA.norm>
-0.255579

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.196595

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000036

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 51  0  0  0  0  0  0  0  0999 V2000
  204.5208  205.9238  241.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6847  205.3454  242.1002 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6721  206.1189  242.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8991  205.4899  243.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8637  206.1819  244.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6024  207.5735  244.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3290  208.1631  242.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3616  207.4492  242.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6246  208.2533  244.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4061  209.5409  244.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0362  210.3004  245.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7127  211.2146  246.3198 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8414  209.7772  246.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7735  210.6342  246.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6895  210.1786  247.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7236  208.7457  247.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7811  207.8776  247.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8588  208.3977  246.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9054  207.6194  246.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6622  208.2439  248.6184 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9943  207.0812  248.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5509  211.1872  248.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8132  212.5632  248.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9363  213.4312  247.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8204  212.9622  246.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5757  211.5792  246.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1462  210.9497  248.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1542  211.5201  249.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7190  211.5999  248.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3154  211.0452  247.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3330  210.9102  246.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1261  210.2761  245.6531 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6515  212.4060  249.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0056  213.0587  250.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1521  213.9125  251.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8580  214.1415  251.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4235  213.4413  250.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3057  212.5758  249.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1184  214.9842  251.9627 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9697  215.5866  251.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9864  213.9729  246.6059 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9889  213.7975  245.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8998  213.2329  248.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7955  212.5746  249.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7471  211.9435  246.4637 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4337  212.2602  245.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 39  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <CHROM.1>
179.44142715,-178.52519960,73.38706378,-19.08799908,133.89706362,-17.91557155
164.42076418,-5.37544031,160.93848132,195.12066860,210.59410263,247.03303467
-0.49108176,0.39338923,0.15603422

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449963/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.72474

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313043

>  <SCORE.INTRA>
-4.67526

>  <SCORE.INTRA.DIHEDRAL>
3.44197

>  <SCORE.INTRA.DIHEDRAL.0>
6.99083

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.39624

>  <SCORE.INTRA.VDW.0>
6.61237

>  <SCORE.INTRA.norm>
-0.101636

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
46

>  <SCORE.norm>
0.211407

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  183.9800  220.0376  257.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2371  221.2664  258.2566 N   0  3  0  0  0  0  0  0  0  0  0  0
  184.6595  220.7779  259.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3631  222.0761  257.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9221  222.0857  258.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0106  223.3561  259.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4428  224.1942  259.1685 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
179.98933946,-179.96935105,183.29678811,222.33441875,258.61655644,0.81711310
0.28343049,-2.57083950

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449964/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.4

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-3.13539e-07

>  <SCORE.INTRA.DIHEDRAL>
-2.56512e-06

>  <SCORE.INTRA.DIHEDRAL.0>
0.00417782

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
9.69018e-07

>  <SCORE.INTRA.VDW.0>
1.31963

>  <SCORE.INTRA.norm>
-4.47913e-08

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.05714

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.181791

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  210.5943  195.2768  247.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6106  194.3022  247.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6592  194.9696  246.2747 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.6692  193.9484  245.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9653  195.6473  245.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3701  196.2286  244.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6762  196.9064  242.9302 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.3775  195.8734  241.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3835  197.5932  243.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6065  198.6706  244.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5476  197.8890  242.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3635  195.9686  247.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3776  197.4351  242.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.9601  196.4201  246.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  5  6  3  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
177.99924954,31.21436001,-175.24229480,-178.01042858,60.15925534,55.36944497
211.42665236,196.13903789,244.85724327,1.02079060,-0.67109147,1.78097901

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449965/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.00511

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-0.394887

>  <SCORE.INTRA.DIHEDRAL>
-0.497528

>  <SCORE.INTRA.DIHEDRAL.0>
0.685587

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.146123

>  <SCORE.INTRA.VDW.0>
0.958544

>  <SCORE.INTRA.norm>
-0.0329073

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.750426

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  195.7403  209.8591  249.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7037  210.9104  250.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5206  210.8394  249.5194 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7208  212.0830  249.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4399  212.9164  250.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0442  213.9214  251.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9987  214.5309  252.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7008  214.6985  251.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2183  214.0010  252.1413 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.7414  215.9592  251.0464 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.7260  217.2086  251.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2627  216.1203  249.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4140  216.2853  248.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9308  216.3064  247.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3031  216.1922  247.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1649  216.0664  248.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6481  216.0250  249.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0837  212.2563  251.0309 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.3475  211.5474  250.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6811  212.7694  248.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 18  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
69.84673678,-105.88443010,103.81139238,192.88883170,213.89238910,250.26307306
-0.76916799,0.88159730,-0.73679415

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449966/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93751

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-1.46249

>  <SCORE.INTRA.DIHEDRAL>
5.94204

>  <SCORE.INTRA.DIHEDRAL.0>
5.21036

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.4335

>  <SCORE.INTRA.VDW.0>
0.635845

>  <SCORE.INTRA.norm>
-0.0731243

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.346876

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002112

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  195.3596  212.3610  256.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9317  211.1769  255.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4062  210.1946  254.6509 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4452  213.3205  256.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7617  214.2856  255.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1469  213.0456  257.6147 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.9027  212.3261  258.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.8509  213.7185  257.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  3  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <CHROM.1>
92.96543623,196.38370586,212.46415939,256.02775361,2.16977302,1.21470854
3.09968382

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449967/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.16346

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-0.236537

>  <SCORE.INTRA.DIHEDRAL>
0.00349133

>  <SCORE.INTRA.DIHEDRAL.0>
1.23054

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.238282

>  <SCORE.INTRA.VDW.0>
-0.0889993

>  <SCORE.INTRA.norm>
-0.0394228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.02724

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002806

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  191.1575  200.5641  240.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4068  199.7189  240.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1026  199.3479  241.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2325  198.5866  241.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6675  197.9222  242.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8645  197.2406  242.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6785  197.3105  241.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2831  197.9900  239.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9915  198.5244  239.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2589  198.2220  238.7655 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4104  199.6802  238.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5042  200.1518  239.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0412  198.9805  239.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7151  199.0022  240.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6766  197.8868  239.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6905  197.7896  238.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7618  198.4503  236.9217 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0718  198.4902  236.4084 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9385  197.8335  237.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1863  196.9823  238.4479 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4286  197.7874  236.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2553  201.2187  238.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8435  201.7800  237.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7906  202.4542  236.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3723  203.2118  235.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0101  203.3246  235.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0741  202.5356  236.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5202  201.6924  237.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7051  200.5507  237.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5788  200.3069  237.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9621  197.9857  243.4346 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.1889  198.5476  243.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 29  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
179.95579677,-162.32343765,0.05943912,-119.56200235,30.81545395,197.62805138
199.35369698,238.89178804,2.77077886,-0.37428038,2.44075989

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449968/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.21455

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.303226

>  <SCORE.INTRA>
-2.18545

>  <SCORE.INTRA.DIHEDRAL>
0.070517

>  <SCORE.INTRA.DIHEDRAL.0>
1.87403

>  <SCORE.INTRA.POLAR>
-0.00061391

>  <SCORE.INTRA.POLAR.0>
-0.315193

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.21862

>  <SCORE.INTRA.VDW.0>
-0.0703536

>  <SCORE.INTRA.norm>
-0.0704985

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.232727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  200.5022  207.7594  248.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2820  207.5149  249.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7096  208.6524  250.8336 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5511  210.0518  251.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7925  210.2363  250.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2763  209.1503  248.9700 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9390  208.5699  251.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2038  209.4278  252.4740 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3670  209.3078  253.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6367  210.1464  254.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8171  210.0393  254.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7664  209.0803  254.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5303  208.2322  253.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3380  208.3407  252.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0665  207.4867  251.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8597  207.6018  251.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4152  208.6632  249.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 17  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
177.82701163,203.91230599,208.85449356,251.77913569,-2.70822559,-0.43237343
0.79483417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449969/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39974

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.000257158

>  <SCORE.INTRA.DIHEDRAL>
-0.000921995

>  <SCORE.INTRA.DIHEDRAL.0>
0.0390808

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.000203839

>  <SCORE.INTRA.VDW.0>
0.0247556

>  <SCORE.INTRA.norm>
-1.60724e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.399984

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.013161

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  199.4022  198.4301  243.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7117  198.0473  244.7405 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1587  199.5242  242.9921 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7712  197.4784  243.2571 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.9476  198.7083  244.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3883  200.1457  243.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7685  199.7361  242.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6098  196.5669  244.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <CHROM.1>
0.00115103,199.79510333,198.17916119,243.57585778,2.82349695,0.62498791,-0.72802867

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449971/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.6

>  <SCORE.INTRA>
-6.03764e-10

>  <SCORE.INTRA.DIHEDRAL>
-1.22198e-09

>  <SCORE.INTRA.DIHEDRAL.0>
1.57282e-08

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
7.22503e-12

>  <SCORE.INTRA.VDW.0>
-0.034097

>  <SCORE.INTRA.norm>
-1.50941e-10

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
1.6

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 33  0  0  0  0  0  0  0  0999 V2000
  214.9179  188.0368  251.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3292  186.6698  250.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3946  185.7828  252.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8272  184.4045  251.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6799  183.6195  250.7803 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.6454  183.9630  250.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.6944  182.1242  251.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5015  181.7748  252.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0122  181.9447  252.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7353  181.6052  253.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1986  183.8506  249.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3064  184.3259  248.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4040  183.2640  248.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7974  183.8963  248.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9457  184.7333  249.4947 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0377  186.0953  249.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0704  186.6808  248.3085 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1223  186.8274  250.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7554  186.2188  251.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7853  186.8400  253.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1366  188.1600  253.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0891  188.7717  254.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4148  190.1347  254.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8025  190.8726  253.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8724  190.2513  252.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5288  188.8979  252.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5738  188.2372  250.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9493  188.8478  249.7454 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7155  188.0168  255.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2993  184.9066  251.8630 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.8480  184.3179  250.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.0496  184.6764  252.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 30 32  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-179.26347091,66.40299635,27.40893589,-71.42717627,126.10499958,-69.64167708
178.83508383,62.81507025,-136.84882511,51.99706219,-110.41922604,-17.60774724
-177.44544757,216.92520516,185.97589813,251.37749299,-0.46086413,-1.13361853
-1.69235180

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449978/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.37436

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-9.02564

>  <SCORE.INTRA.DIHEDRAL>
11.6818

>  <SCORE.INTRA.DIHEDRAL.0>
2.21767

>  <SCORE.INTRA.POLAR>
-2.12799

>  <SCORE.INTRA.POLAR.0>
-0.027193

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.63136

>  <SCORE.INTRA.VDW.0>
1.85952

>  <SCORE.INTRA.norm>
-0.311229

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.288771

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  192.7125  213.9951  243.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9444  213.1835  244.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5191  212.5476  245.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8749  212.7747  245.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6373  213.5902  244.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0637  214.1975  243.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3012  213.8570  245.3146 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.7119  211.7689  246.3844 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4063  212.0261  247.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2028  211.5562  248.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8259  211.7679  250.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6418  212.4430  250.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8309  212.9053  249.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2086  212.6861  248.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1706  212.6929  252.0414 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.8612  210.7720  246.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-114.51258358,-89.27740658,192.44752698,212.87870615,247.38085488,0.96990768
-0.17430901,-1.49543396

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449979/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.83533

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.564673

>  <SCORE.INTRA.DIHEDRAL>
-0.13222

>  <SCORE.INTRA.DIHEDRAL.0>
1.03616

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.498563

>  <SCORE.INTRA.VDW.0>
-0.694789

>  <SCORE.INTRA.norm>
-0.0376448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.455688

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000153

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  207.4671  192.5404  241.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5007  193.0559  242.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3785  192.0659  242.9542 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5487  192.5110  244.1745 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3807  192.5085  245.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3610  192.8418  246.5461 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.9690  192.9041  247.9695 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5342  193.5299  247.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2551  193.2684  246.1360 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.1553  192.1917  246.0596 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7711  194.2538  244.9513 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.7457  193.7266  243.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6064  194.9151  244.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4133  196.2328  244.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2386  196.8190  243.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2197  197.2271  243.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9490  197.6630  242.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8770  191.1231  248.7528 Br  0  0  0  0  0  0  0  0  0  0  0  0
  204.2379  191.7768  241.3895 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 19  1  6  0  0  0
  4  3  1  6  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  6  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  3  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
171.21042994,-67.26819545,121.63224877,11.83816780,203.51513212,192.94172207
244.75733788,-1.87622256,-0.71613373,1.80275336

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449980/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.09911

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-1.30089

>  <SCORE.INTRA.DIHEDRAL>
-0.334518

>  <SCORE.INTRA.DIHEDRAL.0>
1.55184

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13363

>  <SCORE.INTRA.VDW.0>
-0.0705745

>  <SCORE.INTRA.norm>
-0.068468

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.426269

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015586

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  198.4446  204.4707  249.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1911  204.2773  250.8159 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0378  203.1661  251.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5059  202.5618  252.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2334  202.3769  253.6378 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1575  202.2518  252.6178 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1407  203.2346  252.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4128  203.4886  251.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4011  204.4564  251.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1312  205.1944  252.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8552  204.9479  253.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8380  203.9567  253.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7313  203.7010  255.2102 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.9158  206.4215  252.6217 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.5123  204.6812  249.9438 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.4501  205.7161  251.7424 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.4228  205.3428  253.1404 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5890  206.3911  251.1672 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9981  206.6948  251.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5534  207.5658  252.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4754  208.4160  252.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8590  208.3971  250.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3033  207.5271  249.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3791  206.6707  250.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5542  209.4708  250.6134 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.9178  201.3428  253.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-158.44265295,-169.35896364,-132.36897122,-70.04409981,107.13846792,149.86628155
196.12554001,205.40803205,251.93363387,-0.79414259,0.21604932,-0.61409519

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449981/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.58143

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-6.81857

>  <SCORE.INTRA.DIHEDRAL>
0.673103

>  <SCORE.INTRA.DIHEDRAL.0>
3.79442

>  <SCORE.INTRA.POLAR>
0.073624

>  <SCORE.INTRA.POLAR.0>
-0.073624

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.40544

>  <SCORE.INTRA.VDW.0>
-1.36105

>  <SCORE.INTRA.norm>
-0.272743

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.183257

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000321

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  204.5112  193.2822  249.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8904  193.5747  250.1282 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8535  192.6385  250.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9830  193.2689  250.7092 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7760  194.6160  250.5336 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5324  194.7827  250.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7974  196.2895  249.7403 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.1288  196.3859  247.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6859  195.1426  247.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6004  195.0528  246.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6779  194.0138  247.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3413  192.7821  246.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3342  191.7977  246.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6383  192.0207  246.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9538  193.2260  247.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9962  194.2193  247.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2067  193.4464  247.7433 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.0423  192.5962  246.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3758  191.4104  246.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6431  191.1602  250.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6450  190.7450  249.0831 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4212  189.4153  248.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8289  188.9599  247.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7127  187.6107  247.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1989  186.7069  248.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7945  187.1502  249.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9015  188.5058  249.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
76.55288766,-90.00384907,52.43589883,95.31972718,175.43728646,-128.72569686
-177.91026568,-161.02701948,206.57617415,192.48601544,248.40439850,-1.35803572
1.52343719,2.98280667

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449982/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.17927

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-5.22073

>  <SCORE.INTRA.DIHEDRAL>
1.11892

>  <SCORE.INTRA.DIHEDRAL.0>
9.2991

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.78019

>  <SCORE.INTRA.VDW.0>
1.52706

>  <SCORE.INTRA.norm>
-0.19336

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.302936

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 26  0  0  0  0  0  0  0  0999 V2000
  204.4745  197.1736  245.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0468  195.8324  245.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3953  194.7733  246.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9891  194.4691  246.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1389  193.2412  246.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6163  191.8385  246.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6881  190.8332  245.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2146  190.7428  244.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2043  190.4742  243.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7451  190.2899  241.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6389  191.2469  240.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0094  192.6898  240.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8969  193.5750  241.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4604  194.8579  241.4634 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9224  195.0519  242.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9715  194.5896  243.1984 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9390  195.7392  243.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3077  195.0971  243.6673 P   0  0  0  0  0  0  0  0  0  0  0  0
  199.3580  195.6837  244.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7824  195.3268  242.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3607  193.5006  243.7269 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4781  188.8387  241.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9210  191.4947  248.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5320  195.7288  245.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9019  195.3185  240.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.3908  194.9947  241.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.8304  193.0917  242.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <CHROM.1>
130.76098689,60.38957544,-128.94803001,119.91133656,176.04804273,92.43935698
-101.88603871,174.53888482,-79.43810827,75.69601586,49.15979141,174.07130496
50.77892954,-59.38136513,202.46171843,193.58985635,243.92391727,1.06667398
-1.04892953,0.27993581

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449983/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.12495

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.725

>  <SCORE.INTRA>
-16.275

>  <SCORE.INTRA.DIHEDRAL>
-9.19891

>  <SCORE.INTRA.DIHEDRAL.0>
14.3361

>  <SCORE.INTRA.POLAR>
-2.27993

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.92382

>  <SCORE.INTRA.VDW.0>
-2.86977

>  <SCORE.INTRA.norm>
-0.678127

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0468729

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.132435

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  199.9638  225.4137  251.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7232  224.7855  252.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7766  225.7520  252.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5580  225.3948  253.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2355  224.0557  253.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1521  223.0692  252.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4133  223.4250  252.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1763  222.3156  252.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5950  222.0232  250.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3882  221.7922  249.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0938  220.6612  249.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7103  222.9621  249.5627 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5129  223.0356  248.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0166  224.3022  248.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8953  224.4401  247.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2223  223.2920  247.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6768  222.0332  247.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8139  221.9088  248.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1520  223.4839  246.3683 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9427  222.8180  246.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3928  225.6580  247.2762 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1116  226.5890  248.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7583  221.6201  253.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6113  226.4390  253.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8537  227.6324  253.4597 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1973  223.8321  249.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
0.44113384,-62.00380522,-61.65327644,-106.05790225,-174.91142961,-52.71210076
-129.20632288,196.44573935,223.80600253,250.23433759,0.64909255,-0.72230110
0.74875359

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449984/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.72967

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-2.67033

>  <SCORE.INTRA.DIHEDRAL>
7.98698

>  <SCORE.INTRA.DIHEDRAL.0>
3.14808

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.66383

>  <SCORE.INTRA.VDW.0>
5.39753

>  <SCORE.INTRA.norm>
-0.106813

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.389187

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 44  0  0  0  0  0  0  0  0999 V2000
  200.1588  212.8877  252.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6829  213.2525  252.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9633  212.5288  253.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8901  211.5946  253.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1917  210.0723  253.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0845  209.3924  252.0272 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5315  209.5583  254.3070 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8741  209.7133  254.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9860  209.8005  253.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0805  210.1041  254.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6624  210.2097  256.0169 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3445  209.8835  255.9972 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6776  209.6359  257.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3723  209.7764  258.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7009  209.5935  259.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3569  209.2005  259.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6901  208.9887  258.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3424  209.2173  257.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4588  208.9616  261.1188 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  199.5717  209.9014  261.1188 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.4835  210.3101  254.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8917  210.2143  253.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2301  210.4019  252.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1820  210.6981  253.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7871  210.8011  254.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4539  210.6009  255.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1008  213.0568  254.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7658  214.0732  254.8971 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5022  212.3462  255.7224 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9253  212.5567  257.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2913  212.7845  257.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7716  213.0161  258.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8925  213.0191  259.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5362  212.7862  259.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0309  212.5524  258.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5726  212.1986  258.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0701  211.5104  259.1029 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.7812  213.3040  257.9159 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.3041  211.4369  256.9411 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.1722  208.6144  254.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2320  211.3972  255.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 41  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <CHROM.1>
-112.38330639,103.43639566,-121.51172360,-82.68088287,-28.03350009,-0.23649913
175.03176513,160.44239348,-36.98515524,143.42875415,198.72658523,210.99642583
256.52816290,0.90118019,0.24529572,-1.32788104

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/449/14449985/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.264777

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394872

>  <SCORE.INTRA>
-15.1352

>  <SCORE.INTRA.DIHEDRAL>
-4.19252

>  <SCORE.INTRA.DIHEDRAL.0>
11.3643

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.63896

>  <SCORE.INTRA.VDW.0>
-1.76051

>  <SCORE.INTRA.norm>
-0.388083

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.00678914

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  195.1209  218.5337  256.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4794  219.1728  254.7913 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0666  218.1989  253.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8793  218.7874  252.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1945  218.9138  252.6549 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3796  219.5315  251.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1711  219.7913  250.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1943  219.3081  251.6677 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7575  220.4279  249.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4124  220.4846  249.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0442  221.1267  248.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0146  221.7189  247.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3530  221.6641  247.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7204  221.0230  248.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3167  219.9180  254.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6264  221.3943  253.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5249  222.2594  254.8581 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0267  221.6625  252.6894 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4531  222.9644  252.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7519  223.1464  251.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4503  223.3892  250.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2203  220.8759  252.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-160.15328421,124.39832374,98.22188259,176.33726869,-86.67801053,129.46238715
196.05842435,220.63540151,251.75596697,-1.91763826,0.99757327,-0.99888080

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450018/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.61585

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-1.78415

>  <SCORE.INTRA.DIHEDRAL>
2.50518

>  <SCORE.INTRA.DIHEDRAL.0>
4.07731

>  <SCORE.INTRA.POLAR>
0.000514998

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.0385

>  <SCORE.INTRA.VDW.0>
-2.36378

>  <SCORE.INTRA.norm>
-0.0849597

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.457897

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000845

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  188.5275  221.5760  255.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3037  221.5615  256.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9735  220.7185  257.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8726  219.7929  257.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4252  219.4776  256.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9348  220.1937  255.2591 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.8043  219.3380  254.2706 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.1814  219.0059  254.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3303  219.7278  254.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5733  219.4420  255.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6955  218.4357  256.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5757  217.7216  256.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3319  218.0070  255.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0653  217.8025  253.5348 S   0  0  1  0  0  0  0  0  0  0  0  0
  187.4302  216.9661  254.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7562  218.4454  252.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6393  219.0394  253.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5407  220.2423  253.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7934  218.1031  253.8824 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.9247  217.9417  255.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8453  218.0062  253.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
  185.7928  217.4914  255.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
61.89745001,-100.97494751,-48.40216543,-68.72645990,97.30925150,107.60636046
-70.92691299,188.38425304,219.05607587,255.05242871,0.35239014,-0.16009022
0.81517779

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450019/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.54662

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57

>  <SCORE.INTRA>
-4.85338

>  <SCORE.INTRA.DIHEDRAL>
-0.348744

>  <SCORE.INTRA.DIHEDRAL.0>
3.96246

>  <SCORE.INTRA.POLAR>
-0.589695

>  <SCORE.INTRA.POLAR.0>
-0.410305

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.67404

>  <SCORE.INTRA.VDW.0>
-3.4777

>  <SCORE.INTRA.norm>
-0.242669

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.327331

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.228535

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  202.0446  208.8978  240.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6321  209.0954  240.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3989  209.5848  239.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0487  209.6206  238.9180 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4445  209.0756  240.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4217  208.8090  240.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1704  208.3323  242.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9613  208.1443  242.6959 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8354  207.6593  243.9663 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5759  207.3630  244.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5232  207.4797  243.8364 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5338  206.8398  245.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6910  206.7123  246.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5765  206.2443  247.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3391  205.9028  248.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1881  206.0379  247.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2846  206.5100  246.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6683  206.1149  248.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7591  208.8323  240.0638 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.4356  210.1935  237.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5411  211.3649  238.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1793  211.3559  237.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3441  212.4057  238.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8598  213.4772  238.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2191  213.5224  239.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0568  212.4802  238.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6686  207.4034  244.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4644  206.3888  248.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-120.65396723,-179.97386991,-176.61458320,2.74715598,-0.20454751,-121.17763988
197.65393318,208.88562480,242.12319263,-1.47787511,-0.27979766,2.11003969

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450020/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.04035

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.35965

>  <SCORE.INTRA.DIHEDRAL>
-3.34747

>  <SCORE.INTRA.DIHEDRAL.0>
6.51438

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.314079

>  <SCORE.INTRA.VDW.0>
-1.61973

>  <SCORE.INTRA.norm>
-0.0522944

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.347706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001363

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 54 58  0  0  0  0  0  0  0  0999 V2000
  222.3532  173.6527  241.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9458  174.6361  241.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9192  175.9540  241.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3158  176.2678  242.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7244  175.2884  243.4759 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.7424  174.0026  243.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0237  175.6047  244.7537 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.7357  174.9961  245.9680 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.1522  175.8470  247.0850 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.0992  177.2342  246.4408 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.9034  177.0107  245.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0159  178.1550  247.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8849  179.3157  246.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4978  180.7063  246.7231 P   0  0  1  0  0  0  0  0  0  0  0  0
  220.3462  181.8770  245.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6722  180.9592  248.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9636  180.3776  247.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9407  181.7920  247.4602 P   0  0  1  0  0  0  0  0  0  0  0  0
  222.0710  182.2241  248.6416 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1035  180.8686  248.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.9178  183.2065  247.6538 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3801  183.8118  246.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1870  182.8972  245.4962 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.5541  182.4778  246.0731 C   0  0  2  0  0  0  0  0  0  0  0  0
  226.8264  181.1509  245.3533 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.3998  180.5758  245.3281 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.4814  181.6741  245.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0226  179.3739  244.6116 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.8726  178.7036  244.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9452  177.4254  244.7112 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.0246  177.3289  243.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5024  176.2259  243.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3997  176.4526  242.1677 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.8688  177.7172  242.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6213  178.8207  242.7929 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.6569  178.5585  243.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0158  174.9404  243.3733 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.4244  181.4203  244.0901 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.5316  182.3231  247.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.8796  175.3165  247.4492 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1502  175.1559  245.8393 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.5392  177.0549  240.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5234  178.1911  241.2112 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0856  176.7821  239.5391 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.1566  181.5929  248.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.8983  181.4252  248.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.7642  174.2543  243.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.3298  174.9124  244.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
  227.4941  180.6048  243.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
  227.4060  182.0707  247.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.2431  175.3213  246.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.3725  176.0984  245.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.9810  175.9089  239.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.4508  177.5639  239.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  6  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  6  0  0  0
  9 10  1  0  0  0  0
  9 40  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  6  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  1  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  1  0  0  0
 25 26  1  0  0  0  0
 25 38  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 28 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 47  1  0  0  0  0
 37 48  1  0  0  0  0
 38 49  1  0  0  0  0
 39 50  1  0  0  0  0
 40 51  1  0  0  0  0
 41 52  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 53  1  0  0  0  0
 44 54  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-177.61730116,-113.77322198,55.67687093,-60.70264275,-169.76369309,-104.22431232
178.71212920,159.88176083,164.34075201,69.97387538,172.11244971,-120.06738277
-56.39513794,-67.43100485,-179.20879360,-172.21951790,159.38889413,-135.30518626
223.28957858,178.74466581,245.02434191,1.60443838,-0.54747453,-2.52677061

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450022/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-9.54585

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.395455

>  <SCORE.INTRA>
-26.9458

>  <SCORE.INTRA.DIHEDRAL>
-8.51246

>  <SCORE.INTRA.DIHEDRAL.0>
25.0125

>  <SCORE.INTRA.POLAR>
-4.59299

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00317758

>  <SCORE.INTRA.REPUL.0>
0.00317758

>  <SCORE.INTRA.VDW>
-7.05756

>  <SCORE.INTRA.VDW.0>
-5.41287

>  <SCORE.INTRA.norm>
-0.612406

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
-0.216951

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029196

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 56 57  0  0  0  0  0  0  0  0999 V2000
  213.7908  193.8586  247.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6871  195.3490  247.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0706  195.8449  248.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9074  197.2811  249.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3411  197.6715  250.0695 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4177  198.1516  248.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0794  197.6722  246.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2328  196.2995  246.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9008  195.9286  245.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3913  196.8883  244.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2388  198.2559  244.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5669  198.6464  246.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7038  199.2537  244.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3225  199.0631  242.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7527  197.9932  242.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6129  200.3831  242.0530 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4980  200.6847  241.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2857  201.2972  241.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2367  200.7134  241.9214 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4540  202.6060  242.0051 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8969  201.5067  242.9640 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.0848  201.6009  243.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9685  202.3981  243.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1338  200.6884  244.9448 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.5468  200.0749  245.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5879  199.1565  246.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0353  199.2704  243.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7460  201.5170  246.1023 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4659  201.9973  246.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5740  201.7360  245.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2384  202.8434  247.5607 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.8264  203.4597  247.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4568  204.2931  248.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3928  205.4588  248.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1151  206.6175  248.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5883  205.1005  249.4440 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3857  202.0222  248.7652 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5875  201.8171  249.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6397  202.3494  249.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5197  200.9065  250.6499 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.6047  199.4413  250.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5308  199.0979  249.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7100  198.3699  248.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3310  199.6441  249.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6420  201.2120  251.5468 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5597  202.1649  252.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5718  202.8780  252.6819 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7785  202.2705  253.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5414  200.2215  244.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.6770  203.0194  242.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.4655  202.3989  242.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3813  201.5770  246.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.1982  205.8525  249.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.5767  201.4907  249.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.6025  199.3503  248.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5536  200.8266  251.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  2  0  0  0  0
 24 22  1  6  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 53  1  0  0  0  0
 37 38  1  0  0  0  0
 37 54  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  6  0  0  0
 40 45  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 55  1  0  0  0  0
 45 46  1  0  0  0  0
 45 56  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
M  END
>  <CHROM.1>
2.41150061,-96.20498672,80.10779022,72.34361784,-104.83918427,179.66375595
106.11290429,142.08192240,-178.84000538,68.62641323,172.36113724,178.50887630
88.08645019,60.51588819,103.99815621,-179.67576780,84.76105389,-55.92388130
89.38419647,140.00615505,-174.18122541,216.16475516,200.36575924,246.86400752
2.14092015,-1.16393792,-1.48826189

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450023/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.67105

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4875

>  <SCORE.INTRA>
-15.7289

>  <SCORE.INTRA.DIHEDRAL>
-1.57676

>  <SCORE.INTRA.DIHEDRAL.0>
18.0001

>  <SCORE.INTRA.POLAR>
-2.21729

>  <SCORE.INTRA.POLAR.0>
-0.930451

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.40178

>  <SCORE.INTRA.VDW.0>
-5.3876

>  <SCORE.INTRA.norm>
-0.327686

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
0.159814

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000078

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  213.1282  191.0133  238.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0626  191.4004  239.9569 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.3685  190.9246  241.3984 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.1461  191.0954  242.3292 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.5010  190.8452  243.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0197  191.6885  244.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1978  189.4502  244.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3672  188.6400  244.3447 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6072  192.4087  242.1978 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8324  189.5745  241.5029 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8813  192.8211  239.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1421  189.6083  238.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7110  189.0227  237.9627 P   0  0  0  0  0  0  0  0  0  0  0  0
  212.4133  187.7536  237.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0249  188.6999  239.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2800  188.4372  237.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0934  187.7713  244.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.8204  192.4209  242.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.0153  189.3784  242.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2427  193.0563  240.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6691  188.6522  240.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6037  189.0688  237.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  1  1  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <CHROM.1>
67.85920745,67.85756896,-168.83893532,-176.35835433,-170.72297131,178.72098063
82.03252193,177.51361197,99.56948951,179.93856695,158.35858143,-18.12480061
71.09037608,211.83326228,190.09752897,240.65243031,1.22452207,1.53894148
-1.53172477

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450024/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.74969

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.775

>  <SCORE.INTRA>
-14.1497

>  <SCORE.INTRA.DIHEDRAL>
-11.5872

>  <SCORE.INTRA.DIHEDRAL.0>
19.0754

>  <SCORE.INTRA.POLAR>
-2.06896

>  <SCORE.INTRA.POLAR.0>
-0.725488

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.32165

>  <SCORE.INTRA.VDW.0>
-1.09781

>  <SCORE.INTRA.norm>
-0.884356

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
-0.109356

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019710

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  224.5421  182.6135  246.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1894  182.2745  246.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2266  183.2391  246.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6228  184.5370  245.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9711  184.9004  245.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9324  183.9176  246.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3783  186.3132  245.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5497  187.2927  246.2602 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.4950  187.3898  247.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2318  186.7538  248.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.4101  188.3133  248.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1066  187.5849  248.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0871  187.4831  247.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0038  186.6965  247.6346 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1799  186.1927  248.8410 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.6341  186.6395  249.5261 S   0  0  0  0  0  0  0  0  0  0  0  0
  220.0685  188.1096  245.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0700  188.5203  245.3349 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8241  188.2139  245.3508 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.6796  185.4517  245.6527 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.9083  187.8338  245.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.0087  187.8550  245.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.7201  188.6379  244.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <CHROM.1>
42.47102247,63.27162524,81.16819505,-91.84873437,19.32833436,221.93652049
186.20290454,246.98349144,0.47774338,-0.60648199,2.61063570

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450025/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.7357

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-4.6643

>  <SCORE.INTRA.DIHEDRAL>
0.862897

>  <SCORE.INTRA.DIHEDRAL.0>
4.68117

>  <SCORE.INTRA.POLAR>
-0.973526

>  <SCORE.INTRA.POLAR.0>
-0.0407699

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.78577

>  <SCORE.INTRA.VDW.0>
-2.81163

>  <SCORE.INTRA.norm>
-0.233215

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.286785

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000310

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  225.0852  175.1990  239.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3691  176.2495  238.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6828  177.5171  239.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6934  177.7250  240.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3911  176.6876  241.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0989  175.4164  240.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2813  176.9533  242.7674 N   0  0  0  0  0  0  0  0  0  0  0  0
  225.3310  178.2416  243.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8045  178.5380  244.3018 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0914  179.2647  242.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7667  180.3062  242.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.8987  180.6373  244.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2368  179.6994  245.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2314  180.0431  246.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0029  181.3623  246.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.8044  182.3550  245.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7428  181.9743  244.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6808  183.8026  246.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9179  184.6675  245.2285 F   0  0  0  0  0  0  0  0  0  0  0  0
  225.4318  184.1100  246.7083 F   0  0  0  0  0  0  0  0  0  0  0  0
  227.5401  184.1548  247.2451 F   0  0  0  0  0  0  0  0  0  0  0  0
  226.0365  179.0065  241.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8840  176.2628  243.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 22  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
46.92325678,160.26061605,226.15177630,179.95283570,243.56136650,2.68280692
-1.39732974,-1.31739864

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450035/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.36805

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-0.0319455

>  <SCORE.INTRA.DIHEDRAL>
-0.181487

>  <SCORE.INTRA.DIHEDRAL.0>
4.14347

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0587979

>  <SCORE.INTRA.VDW.0>
-0.740591

>  <SCORE.INTRA.norm>
-0.00145207

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.334912

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000472

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  212.8722  183.3183  249.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8648  183.3630  248.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9922  184.2217  247.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1513  185.0633  248.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1745  185.0661  250.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0241  184.1546  250.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2841  186.0229  250.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3461  186.8042  249.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3960  187.6922  250.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5752  188.4433  249.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6682  188.2960  248.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5890  187.4005  247.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4259  186.6678  248.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3242  185.8533  247.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0860  186.9695  251.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7277  187.1204  252.9188 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1355  187.6292  251.1336 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9507  188.4613  251.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9674  188.6713  253.1350 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8514  189.6917  253.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5281  190.2086  252.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0814  189.3410  250.9236 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.9954  190.1738  254.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2845  189.6244  255.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5808  190.2557  257.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4866  191.2816  256.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0135  191.4406  255.3625 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.1919  187.6727  250.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-132.26671812,6.50136179,0.89734144,211.98284818,187.79759297,251.52989201
-2.10544321,-0.44908102,0.66757634

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450036/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.89449

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-0.505508

>  <SCORE.INTRA.DIHEDRAL>
-1.08281

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0358996

>  <SCORE.INTRA.VDW.0>
-2.63416

>  <SCORE.INTRA.norm>
-0.0187225

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.292389

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000038

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  198.7503  203.9669  249.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9571  203.3076  249.5065 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1181  203.8315  248.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9757  202.9363  248.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1845  203.4378  247.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5440  204.7785  247.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6968  205.6599  248.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4750  205.1820  249.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0631  207.1086  248.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4975  208.0291  247.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1672  208.4454  247.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5985  209.3027  246.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4005  209.8468  245.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7283  209.4031  245.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2736  208.5071  246.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8422  210.7596  244.9746 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4656  211.4398  243.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9427  212.4296  243.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7066  213.0122  242.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8288  212.6252  241.7798 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0516  214.1166  241.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7606  214.5595  241.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1618  215.5847  240.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8469  216.1625  239.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1240  215.7201  239.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7245  214.6925  240.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0274  217.5456  238.8501 Br  0  0  0  0  0  0  0  0  0  0  0  0
  199.2823  209.7018  247.0046 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3114  208.6491  247.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6533  201.5607  248.2152 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3937  200.5711  247.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0679  199.2909  247.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0835  198.4015  246.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1983  198.8147  246.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7198  196.9796  246.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
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  201.1910  195.1069  246.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1490  194.2748  246.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3934  194.7800  245.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6803  196.1322  245.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7614  192.4436  245.8566 Br  0  0  0  0  0  0  0  0  0  0  0  0
  199.8784  211.0008  245.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7709  201.3167  248.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 43  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <CHROM.1>
-126.59469433,-178.62017803,95.00436608,80.59908889,-57.47128370,176.47496517
-0.41008584,-1.68745297,-0.35941585,-1.57688744,201.31205879,205.79825266
245.03313182,-0.64532928,-1.44562069,0.63549901

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450037/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.69032

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37561

>  <SCORE.INTRA>
-6.70968

>  <SCORE.INTRA.DIHEDRAL>
-7.70903

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
-0.0118849

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.50711

>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.211959

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000174

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  212.6579  195.7842  245.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8920  195.2401  246.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2826  195.5421  247.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6639  195.6856  247.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1952  195.9456  248.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3363  196.0714  250.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9546  195.9693  249.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4303  195.7004  248.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9548  196.3505  251.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5090  195.6296  252.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5832  196.0531  249.1444 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3297  195.1037  249.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4846  193.9384  249.4591 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.0448  195.5680  251.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7756  194.6528  251.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4286  194.9596  252.9096 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3129  196.2323  253.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5997  197.2160  252.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9655  196.8807  251.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0781  196.6612  248.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
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 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <CHROM.1>
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195.69655027,249.93580968,-2.45867160,-0.22657964,1.27716648

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450038/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.51934

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-3.88066

>  <SCORE.INTRA.DIHEDRAL>
-1.27737

>  <SCORE.INTRA.DIHEDRAL.0>
6.26707

>  <SCORE.INTRA.POLAR>
0.0569561

>  <SCORE.INTRA.POLAR.0>
-0.0569561

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.43563

>  <SCORE.INTRA.VDW.0>
3.35287

>  <SCORE.INTRA.norm>
-0.204245

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.343123

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000426

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  196.0925  214.0839  264.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9711  214.3997  262.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1461  215.0150  261.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0053  215.3629  260.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2480  215.9029  259.5256 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9629  216.2127  258.3158 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4232  214.9496  257.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0156  217.0335  257.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7247  218.2770  258.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8185  219.0308  257.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3264  218.7208  256.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5916  220.3604  258.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1076  220.1838  259.4199 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9534  219.6031  260.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2809  218.7934  261.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9610  218.1909  262.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3331  218.3951  262.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0142  219.1932  261.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3344  219.8038  260.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3072  220.8379  259.5075 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.2408  217.7215  263.7764 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  194.0461  217.2268  263.4264 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
179.07965725,178.21399043,-177.51939747,70.14133656,64.06154263,-175.74946495
-2.09062807,-59.62431878,66.63540541,-145.39973252,195.91540412,217.80810133
260.59655158,-1.12182153,1.36321603,-1.47228309

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450039/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.19794

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-13.2021

>  <SCORE.INTRA.DIHEDRAL>
-18.2431

>  <SCORE.INTRA.DIHEDRAL.0>
22.2844

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.08052

>  <SCORE.INTRA.VDW.0>
1.23279

>  <SCORE.INTRA.norm>
-0.600093

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.0999065

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000233

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 20  0  0  0  0  0  0  0  0999 V2000
  254.4876  164.4331  207.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
  255.9380  164.8416  207.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
  256.3582  166.1378  208.3570 N   0  3  0  0  0  0  0  0  0  0  0  0
  255.4678  167.3486  207.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
  255.4803  167.6748  206.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
  256.1932  165.8749  209.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
  256.6432  167.0263  210.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  257.8322  166.4692  207.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
  258.8126  165.3870  208.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
  260.1955  165.8503  208.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
  260.8498  165.4579  207.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
  260.5466  166.8444  208.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
  261.8562  167.3899  208.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.0330  168.4780  209.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.0750  167.9629  211.2282 N   0  3  0  0  0  0  0  0  0  0  0  0
  263.1845  166.8775  211.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
  264.5905  167.3842  211.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.3499  169.1861  212.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  261.2929  170.2728  212.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  260.7155  167.3192  211.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  260.6870  166.7873  213.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  2   3   1  15   1
M  END
>  <CHROM.1>
-57.88252205,-58.10395033,176.62165398,-61.73407520,-176.66172947,-103.88287228
179.84136883,-179.74751484,66.28100330,54.72941253,62.58743875,61.02477484
179.96473775,259.40971334,166.90926249,209.54424937,2.60387123,-0.03116129
-2.06540092

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450040/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.5032

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.87619

>  <SCORE.INTRA>
-3.89675

>  <SCORE.INTRA.DIHEDRAL>
-8.10129

>  <SCORE.INTRA.DIHEDRAL.0>
9.79136

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.153888

>  <SCORE.INTRA.VDW.0>
13.1154

>  <SCORE.INTRA.norm>
-0.18556

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.690631

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.152259

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  191.3787  226.9313  254.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7729  225.9744  253.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8725  225.3205  252.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3392  224.4460  251.3686 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2920  223.8299  250.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3859  224.4869  250.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3123  223.8418  249.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1442  222.4681  248.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0574  221.7643  249.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1415  222.4719  250.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7625  220.2940  249.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1075  221.8670  247.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5980  222.4423  246.9951 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2518  220.5308  248.1615 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2700  219.9006  247.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9547  219.7497  245.8488 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.4395  219.6213  245.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4981  220.9839  245.0785 N   0  3  0  0  0  0  0  0  0  0  0  0
  196.1640  221.8208  245.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0780  221.1169  243.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1348  220.3483  242.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4152  220.7437  243.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0287  221.0238  245.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4073  224.7261  248.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  1  18   1
M  END
>  <CHROM.1>
-177.93593918,179.78259109,-45.22143482,-34.34959985,-173.34465677,-71.64818836
-29.49229961,-49.72790617,194.43203976,222.38237194,248.24397003,-2.34727601
-0.78412265,-2.72713186

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450050/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0691

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582609

>  <SCORE.INTRA>
-3.33085

>  <SCORE.INTRA.DIHEDRAL>
3.98288

>  <SCORE.INTRA.DIHEDRAL.0>
6.46248

>  <SCORE.INTRA.POLAR>
-1.39254

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.587643

>  <SCORE.INTRA.VDW.0>
4.66679

>  <SCORE.INTRA.norm>
-0.14482

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.437789

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001809

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  199.4711  220.0585  258.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5514  221.3803  258.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5495  222.2384  259.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0531  222.2635  259.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4825  223.1651  257.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8039  224.3554  258.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3321  225.1766  257.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5561  224.8432  255.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2698  223.6970  255.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6720  222.8337  256.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7326  223.3831  254.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2030  223.0483  253.8113 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4075  223.8603  254.3343 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.5102  222.8008  254.4497 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7330  221.5162  254.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2035  220.4329  254.9482 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4215  221.7137  254.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3436  222.8338  253.2978 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3534  224.6988  255.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9059  226.0329  255.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8088  226.8794  256.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1421  226.3931  257.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5745  225.0829  257.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7097  224.2466  256.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0729  227.1811  258.9496 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3209  222.9776  252.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6992  223.6847  251.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1658  221.9765  251.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2865  221.7177  250.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5845  224.7945  259.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9599  221.7325  259.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8087  222.5876  252.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7464  228.0576  258.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9023  224.1259  260.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  1  0  0  0
 14 15  1  0  0  0  0
 14 18  1  6  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 32  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 33  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <CHROM.1>
-105.37966099,-105.51103315,-4.58265140,126.67426003,-45.95517701,35.16416133
-87.78719524,-63.99988937,1.47588449,174.87637182,198.45479162,223.41549952
255.93960819,-1.98614028,0.95154288,-1.54944978

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450051/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.63288

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-6.76712

>  <SCORE.INTRA.DIHEDRAL>
-4.28281

>  <SCORE.INTRA.DIHEDRAL.0>
9.2919

>  <SCORE.INTRA.POLAR>
-0.926733

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.47483

>  <SCORE.INTRA.VDW.0>
-4.24559

>  <SCORE.INTRA.norm>
-0.218294

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.181706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.032037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  196.8399  216.5617  257.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0209  215.3566  257.3872 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0273  215.2895  258.3042 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5475  214.0956  258.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4717  213.8035  259.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0172  214.8743  260.1187 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.0028  214.6946  260.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5534  215.7956  261.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4914  215.7142  262.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8382  214.5062  262.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2604  213.3817  262.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3726  213.4394  261.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9102  212.3457  260.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9754  212.5284  259.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3675  210.9656  260.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4018  210.6731  261.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9705  210.0946  259.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6992  215.1968  256.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.6017  209.1923  259.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
-163.72732688,0.63969648,-0.02314231,-177.94829211,192.58516372,213.72834502
260.15688674,0.27135691,0.70857887,0.27980152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450052/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.45529

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-3.94471

>  <SCORE.INTRA.DIHEDRAL>
-8.8926

>  <SCORE.INTRA.DIHEDRAL.0>
9.04006

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.501585

>  <SCORE.INTRA.VDW.0>
-0.301757

>  <SCORE.INTRA.norm>
-0.232042

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.262076

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000643

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 63 65  0  0  0  0  0  0  0  0999 V2000
  198.5527  217.9841  260.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7069  218.9173  259.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9782  220.0462  259.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7193  218.4749  258.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2900  217.3936  258.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0259  219.5771  257.4049 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.4798  218.5745  255.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6082  217.6637  255.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8718  216.5316  256.3730 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0748  215.2613  255.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9886  214.9830  254.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3941  214.2240  256.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8878  214.2262  257.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7955  214.0476  256.1149 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4252  215.0670  255.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3095  216.2558  255.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3186  214.5852  254.2618 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5236  214.4707  252.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9836  215.8415  252.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4265  213.9021  251.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3189  213.5276  253.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5275  212.4524  253.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1245  211.4745  254.2610 P   0  0  1  0  0  0  0  0  0  0  0  0
  202.7681  210.2338  253.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5123  211.3792  255.8424 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7215  210.4966  254.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4838  211.4505  255.2647 P   0  0  1  0  0  0  0  0  0  0  0  0
  198.7001  211.4487  253.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0478  210.1163  256.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2462  212.4042  256.0071 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3018  213.8046  255.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4092  214.6692  256.5852 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5889  214.6268  258.1045 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.8505  215.9129  258.4969 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1229  216.8559  257.3070 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4688  216.0399  256.1772 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0300  217.7226  256.9307 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9839  219.0876  257.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8240  219.5805  256.6809 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0788  218.4791  256.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7508  218.3413  255.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2834  217.0985  255.6275 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1264  216.0526  255.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4154  216.0585  256.1885 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8181  217.3135  256.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8850  219.4200  255.7418 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4758  215.5946  258.7345 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9452  214.6321  258.5564 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0360  214.5163  260.2801 P   0  0  0  0  0  0  0  0  0  0  0  0
  198.9715  212.9908  260.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6106  214.9155  260.2646 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1268  214.4004  262.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4817  215.4066  254.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9648  216.6805  257.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7678  213.1509  255.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0799  210.5831  256.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.5736  209.9269  256.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9213  219.8357  254.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.9315  220.0476  256.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.0181  215.3821  257.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7734  215.8159  259.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.7012  213.6167  262.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0080  215.3515  254.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 54  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  1  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  6  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 48  1  6  0  0  0
 34 35  1  0  0  0  0
 34 47  1  6  0  0  0
 35 36  1  0  0  0  0
 35 37  1  6  0  0  0
 37 45  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 45  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 46  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 46 58  1  0  0  0  0
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 51 61  1  0  0  0  0
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 53 63  1  0  0  0  0
M  END
>  <CHROM.1>
4.82084410,-117.42414955,-85.69648516,73.98434577,136.04085326,-84.93547496
-54.97937033,96.91814735,88.70241299,63.29297698,61.37608616,-31.79362488
174.79432929,114.62033159,-157.53970121,87.65002808,107.73223186,81.70170357
-163.94308006,-167.87372272,57.62633185,-177.64456618,-70.91352105,112.09090815
89.74518589,85.94193229,64.09005178,-27.95004679,199.54784684,215.20639054
256.50221751,-2.53247441,-0.13867939,-2.74059849

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450054/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.72471

>  <SCORE.INTER>
27.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
22

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516981

>  <SCORE.INTRA>
-33.1247

>  <SCORE.INTRA.DIHEDRAL>
3.03337

>  <SCORE.INTRA.DIHEDRAL.0>
22.291

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
-18.4899

>  <SCORE.INTRA.VDW.0>
0.982958

>  <SCORE.INTRA.norm>
-0.624995

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
-0.108013

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.095790

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 33  0  0  0  0  0  0  0  0999 V2000
  190.0540  219.1093  261.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9430  218.6766  260.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8906  219.5279  260.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9878  218.8321  259.2758 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.4188  217.5488  259.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6475  217.4324  259.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2944  216.0506  259.7212 C   0  0  2  0  0  0  0  0  0  0  0  0
  190.0309  215.6312  260.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7457  215.7002  259.6866 C   0  0  1  0  0  0  0  0  0  0  0  0
  190.9106  214.4111  258.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5712  214.0747  258.3398 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6460  215.0636  258.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4075  215.2061  258.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6919  216.4894  258.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5517  216.6405  258.0448 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3615  213.1129  257.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2996  212.9972  256.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5058  212.3356  256.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6980  212.0400  257.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5955  211.6127  256.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9762  211.4354  256.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5835  211.8078  255.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8628  211.7285  254.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4965  211.4193  254.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8783  211.5544  255.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5653  211.6992  255.6866 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.1154  219.1928  258.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.7854  211.6988  255.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
19.68081805,189.89452996,214.72485081,257.97278929,-2.14399703,0.19888479
-2.42691890

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450055/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.50408

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.246154

>  <SCORE.INTRA>
-0.895923

>  <SCORE.INTRA.DIHEDRAL>
-4.45311

>  <SCORE.INTRA.DIHEDRAL.0>
5.58453

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.33063

>  <SCORE.INTRA.VDW.0>
-0.560247

>  <SCORE.INTRA.norm>
-0.0344586

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.211695

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  216.8468  179.6485  250.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0941  178.9387  248.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2135  179.0432  247.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0632  179.8243  248.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8737  180.6249  249.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7586  180.5175  250.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8514  179.7986  246.7309 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.6218  180.3249  247.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4890  180.4348  245.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5855  178.1528  246.4102 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8891  177.7384  245.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7021  177.7819  243.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1038  176.7779  243.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9794  179.0313  243.4183 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6849  177.1742  247.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2596  175.9053  247.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2145  174.9387  248.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5854  175.2294  249.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0230  176.4837  249.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0805  177.4542  248.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4638  174.0190  250.6921 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.9326  175.4277  245.7384 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.3610  179.7432  244.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4361  179.3512  242.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
162.24489576,-165.19491461,76.83182122,-140.94696137,107.61960607,49.27790088
214.26979423,177.71163953,247.40484015,-1.72936379,-1.30328637,-0.96909814

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450056/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.18569

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-2.21431

>  <SCORE.INTRA.DIHEDRAL>
-3.8178

>  <SCORE.INTRA.DIHEDRAL.0>
17.0271

>  <SCORE.INTRA.POLAR>
-0.362569

>  <SCORE.INTRA.POLAR.0>
-0.637431

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.927324

>  <SCORE.INTRA.VDW.0>
-5.42427

>  <SCORE.INTRA.norm>
-0.100651

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.417531

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  217.5238  168.2512  244.6642 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.2045  168.9874  245.0981 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.1650  168.0354  245.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9686  167.2839  244.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4326  167.2060  243.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5447  167.1418  242.5958 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.7025  165.9452  244.4434 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.2162  167.9593  243.4671 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.3673  166.0912  244.5460 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.0364  168.5966  246.0585 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.6968  167.2905  246.6066 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.3275  170.1024  246.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3333  171.1004  245.8975 N   0  0  1  0  0  0  0  0  0  0  0  0
  218.5674  170.3921  245.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4139  169.6507  244.3662 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.9004  170.8063  243.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1700  171.6892  244.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8694  171.8753  244.2544 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.7171  172.9299  244.5884 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.1908  170.3709  242.4758 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.9613  171.4903  243.0123 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.6964  169.4122  243.9500 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.5708  171.2847  245.6682 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.8353  169.5300  246.6904 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.5841  169.5464  247.3587 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.1412  170.7386  246.2883 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.7236  169.6040  243.9719 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.6052  167.3819  243.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8506  167.9048  242.6898 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.7588  167.4366  244.6520 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.4920  166.0642  243.7080 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  1  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 27  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 12  1  6  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  6  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
64.78947020,217.05160742,169.08460963,244.65303885,-2.14781262,0.37830732
0.27985786

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450058/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.24105

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.206452

>  <SCORE.INTRA>
-0.158952

>  <SCORE.INTRA.DIHEDRAL>
0.0568517

>  <SCORE.INTRA.DIHEDRAL.0>
0.517207

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.187378

>  <SCORE.INTRA.VDW.0>
24.5805

>  <SCORE.INTRA.norm>
-0.00512747

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.201324

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.068166

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  201.9519  197.2033  231.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3646  198.0492  233.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3201  197.2537  233.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4130  198.4957  233.9399 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0646  199.7035  233.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6942  200.6077  233.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2801  199.7786  234.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1512  200.8483  234.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5063  200.5006  235.6266 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.8805  198.9186  235.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6907  198.6895  235.4145 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.7617  197.8627  236.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6922  197.1972  235.6507 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2579  195.9511  234.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7941  194.8161  235.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1586  196.2084  233.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9178  197.8654  235.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2412  198.8806  236.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9071  197.3438  234.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1044  198.0416  234.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1095  197.5068  233.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9137  196.2558  232.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6886  195.5995  232.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6759  196.1846  233.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9970  195.6143  232.0536 N   0  3  0  0  0  0  0  0  0  0  0  0
  214.0371  196.2578  231.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8029  194.4594  231.6474 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.8937  197.8199  234.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
92.94092961,176.81704418,-79.98947465,-91.02715724,-55.84170815,179.56794361
207.22137384,197.73358206,234.16661310,2.85332414,-0.08384351,0.64628930

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450082/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.39647

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.00353

>  <SCORE.INTRA.DIHEDRAL>
-7.47178

>  <SCORE.INTRA.DIHEDRAL.0>
11.6138

>  <SCORE.INTRA.POLAR>
-0.00100229

>  <SCORE.INTRA.POLAR.0>
-0.21986

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.735772

>  <SCORE.INTRA.VDW.0>
-1.66818

>  <SCORE.INTRA.norm>
-0.111242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.310981

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  197.5179  183.3648  242.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5212  184.8603  242.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5643  185.4657  243.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4149  186.8631  243.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2158  187.6992  242.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2460  187.0798  241.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3973  185.6821  241.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6900  189.1291  242.1165 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.4215  190.3919  242.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7407  190.4180  243.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5889  189.2901  243.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0984  188.3704  244.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2646  189.0936  245.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8970  188.8044  246.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0164  189.8808  246.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5339  191.1831  246.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7751  192.3215  245.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5744  193.2584  244.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3069  192.7127  243.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8584  191.6551  242.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2333  192.0387  241.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0958  192.9349  241.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6684  193.3155  239.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8842  192.3434  242.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6788  192.8490  243.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4076  191.6736  243.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8261  191.3683  246.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7135  190.3027  246.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6325  189.1415  240.7007 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3326  190.0514  240.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  6  0  0  0
  9 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 28  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
118.43365381,6.63830727,-177.99098222,145.17220624,174.66051901,197.15645109
189.79856886,243.24987869,1.06837592,1.13472043,-2.64057863

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450083/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.44293

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.324138

>  <SCORE.INTRA>
-5.95707

>  <SCORE.INTRA.DIHEDRAL>
-2.2326

>  <SCORE.INTRA.DIHEDRAL.0>
6.55019

>  <SCORE.INTRA.POLAR>
-0.968538

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.54774

>  <SCORE.INTRA.VDW.0>
-1.54323

>  <SCORE.INTRA.norm>
-0.205416

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.118722

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000244

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  208.9857  202.9660  244.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7607  204.4867  244.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1520  205.1215  244.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7591  205.0790  243.3712 P   0  0  1  0  0  0  0  0  0  0  0  0
  206.1592  204.1118  243.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3499  204.3245  244.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0503  203.5157  244.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2096  203.7376  243.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0094  203.3553  242.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2794  204.1989  242.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4462  206.9209  243.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7305  207.7333  243.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4604  207.4193  242.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9274  207.3475  244.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
59.80234757,60.25731725,73.45649194,206.77200367,205.04186165,243.79637514
-0.39014547,0.27415726,2.83097146

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450084/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.92467

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.475332

>  <SCORE.INTRA.DIHEDRAL>
-0.134891

>  <SCORE.INTRA.DIHEDRAL.0>
0.700137

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.407886

>  <SCORE.INTRA.VDW.0>
-1.42409

>  <SCORE.INTRA.norm>
-0.0339523

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.566048

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  212.3802  189.8973  245.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0451  191.1211  245.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6450  192.0582  246.3434 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9367  192.6217  245.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1372  191.6800  245.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6898  193.1096  246.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7699  192.7403  247.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6403  193.7512  248.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5298  193.7211  247.1216 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4503  194.7606  247.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0978  194.0681  245.8213 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1912  193.3323  244.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6875  191.8986  244.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1113  191.2223  245.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7498  189.8686  245.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9155  189.1926  244.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4636  189.8441  243.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8847  191.1680  243.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4713  187.5353  244.2714 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.7900  193.8522  243.6087 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1529  193.7773  243.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1539  194.6352  243.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4686  194.5209  243.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8284  193.5236  242.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8633  192.6275  241.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5401  192.7498  242.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6617  195.6304  243.8112 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.3679  194.6780  243.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
140.10111754,-73.11366402,86.90698602,-171.93994410,72.02475550,-179.84836732
115.72230289,-2.86040498,91.52817293,-81.75930279,211.74342415,192.32291077
244.89066164,-2.69882410,0.53501395,0.64727759

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450085/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.1059

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57037

>  <SCORE.INTRA>
-10.2941

>  <SCORE.INTRA.DIHEDRAL>
-1.09088

>  <SCORE.INTRA.DIHEDRAL.0>
6.25224

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.74866

>  <SCORE.INTRA.VDW.0>
2.98801

>  <SCORE.INTRA.norm>
-0.381263

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.189108

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000011

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  193.8870  213.3291  259.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2562  213.3943  258.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1264  213.7952  257.2150 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4287  215.0648  257.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0415  215.0315  257.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0873  214.6370  259.1379 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6419  215.7910  259.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6559  215.4870  261.4113 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8089  215.1235  262.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9105  215.0550  261.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5774  214.7933  263.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6028  214.4053  264.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4683  214.0311  265.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2293  214.0184  266.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1427  213.6308  267.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2798  213.2362  268.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5139  213.2228  267.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6056  213.6134  266.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6130  213.6371  268.4724 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.5568  212.9154  256.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0176  211.8034  256.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4522  213.3624  254.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8499  212.5453  253.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7734  212.9491  252.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1948  212.0736  251.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1154  212.4642  250.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6165  213.7193  249.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1923  214.5927  250.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2701  214.2081  252.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6381  211.3863  248.8427 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.7836  215.5385  261.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <CHROM.1>
-59.09823590,101.98841974,179.32237993,1.61864442,-179.71530826,-179.93778272
194.99791997,213.66431113,258.93981662,1.70419622,-0.78032758,1.58628702

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450086/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.74457

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-8.65543

>  <SCORE.INTRA.DIHEDRAL>
-18.9244

>  <SCORE.INTRA.DIHEDRAL.0>
20.1476

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.806775

>  <SCORE.INTRA.VDW.0>
-1.34854

>  <SCORE.INTRA.norm>
-0.288514

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.0914858

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001598

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  209.1778  191.2598  248.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8288  190.1387  248.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1828  189.9337  248.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9028  190.8498  249.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2308  191.9615  249.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8752  192.1660  249.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3365  190.6721  249.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1587  191.5303  250.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4562  191.0686  250.1138 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6108  191.6213  250.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8046  191.0194  250.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8299  189.7836  249.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7125  189.2557  249.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4624  189.9026  249.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1709  189.6366  248.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0858  191.5190  251.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4738  192.9459  250.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7696  192.9723  248.8858 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.0999  193.0183  248.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1910  193.9949  248.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8589  193.9496  248.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4393  192.9229  247.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3374  191.9465  246.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6656  191.9931  247.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6336  192.8392  246.8533 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 15  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
177.80331742,-60.27940933,-62.69603135,78.78270217,54.12505207,215.08897594
191.83675668,248.71258848,3.13082113,-0.16995749,-0.80033256

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450087/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.52921

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-6.87079

>  <SCORE.INTRA.DIHEDRAL>
-3.14209

>  <SCORE.INTRA.DIHEDRAL.0>
6.48943

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.29975

>  <SCORE.INTRA.VDW.0>
-0.91581

>  <SCORE.INTRA.norm>
-0.274832

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.141168

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014838

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  197.8139  193.0441  247.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8495  192.8505  246.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7675  193.6333  246.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2500  194.8540  245.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9591  195.9903  245.7777 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0585  194.5786  244.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6690  193.3735  244.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6276  192.3932  245.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7915  191.8562  245.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1037  192.3502  247.0248 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.5635  191.2753  248.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0140  189.9897  247.7508 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4048  189.6085  246.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2480  190.4588  245.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6121  189.9529  244.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1735  188.6586  244.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3671  187.8641  245.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9626  188.3320  246.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1735  187.5859  247.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9684  186.6402  245.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1476  193.3251  246.8857 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1993  195.6174  243.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7817  188.0941  248.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.0225  186.2411  245.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9294  192.8834  246.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6599  196.3490  243.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <CHROM.1>
-2.96668608,-174.57884472,179.48405023,5.83419203,198.61636369,191.55068021
245.81787378,3.08559936,1.09408615,-1.62740480

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450088/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.32793

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.245455

>  <SCORE.INTRA>
-1.07207

>  <SCORE.INTRA.DIHEDRAL>
-0.140004

>  <SCORE.INTRA.DIHEDRAL.0>
0.244745

>  <SCORE.INTRA.POLAR>
-0.185679

>  <SCORE.INTRA.POLAR.0>
-0.27998

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.370758

>  <SCORE.INTRA.VDW.0>
1.00213

>  <SCORE.INTRA.norm>
-0.0487304

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.196724

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002333

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  214.9907  181.7031  243.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1513  183.0561  243.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0252  182.8799  242.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2961  183.9946  241.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2677  183.8186  240.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6517  184.8757  239.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0708  186.1343  239.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0743  186.3115  240.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6819  185.2423  241.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4358  187.2594  238.9463 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5307  187.3439  238.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3382  186.4518  237.8775 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6974  188.6987  237.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6246  189.5600  237.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7558  190.8582  237.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7801  191.3148  236.9374 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6738  191.6193  238.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7413  191.2958  239.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1113  192.1672  240.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9556  192.1943  241.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4756  193.2862  242.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0420  194.3787  241.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1572  194.3887  240.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7376  193.2436  239.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9568  192.9617  238.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6313  190.3085  239.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9644  188.9980  239.4772 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8415  188.1302  239.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8712  188.0880  239.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.95951538,173.03226512,-12.07639515,-1.90244047,172.80123282,-9.31410029
10.66925859,88.79122983,-173.42591892,216.66583532,188.58726764,239.80384528
1.72091087,-0.96304353,3.00659409

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450089/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.68609

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.514286

>  <SCORE.INTRA>
-9.71391

>  <SCORE.INTRA.DIHEDRAL>
-9.59683

>  <SCORE.INTRA.DIHEDRAL.0>
14.9057

>  <SCORE.INTRA.POLAR>
-1.15115

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.213396

>  <SCORE.INTRA.REPUL.0>
0.213396

>  <SCORE.INTRA.VDW>
0.0653862

>  <SCORE.INTRA.VDW.0>
-0.729721

>  <SCORE.INTRA.norm>
-0.346925

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.16736

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  199.5457  197.4092  243.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8303  197.6644  244.1535 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0419  197.8147  243.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8208  196.7653  242.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0373  196.5810  242.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0905  195.9818  241.3512 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7566  195.7574  241.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2429  194.7403  240.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0249  196.6613  242.1531 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0971  199.0939  242.2827 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3152  199.4600  241.7779 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5060  199.1902  240.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6362  198.5805  239.6756 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.0586  199.5817  239.8439 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.6923  197.9585  244.2964 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6223  195.2502  240.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0658  196.3735  242.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7006  199.8498  242.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7784  199.1149  239.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.4691  197.6121  239.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.7550  199.1104  238.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1996  198.6548  244.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <CHROM.1>
-164.98029873,-59.65229818,98.84313573,59.80013329,178.99044265,201.33380802
197.69928165,241.79287541,-3.07673047,-0.76278847,-2.16520353

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450100/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.44078

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-4.95922

>  <SCORE.INTRA.DIHEDRAL>
-0.313344

>  <SCORE.INTRA.DIHEDRAL.0>
1.63366

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.40254

>  <SCORE.INTRA.VDW.0>
-0.69653

>  <SCORE.INTRA.norm>
-0.330614

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.296052

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016638

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  213.0079  203.1665  239.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2944  202.1538  240.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1003  201.9270  241.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6274  200.5555  241.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4352  200.3347  243.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9553  198.9640  243.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7632  198.7505  245.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2839  197.3815  245.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0896  197.1716  247.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6088  195.8060  247.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4200  195.5947  249.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9033  194.3108  249.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7689  194.2123  250.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-120.97262123,179.62865355,179.80290650,179.87734973,-179.91758056,-179.98031150
-179.95821792,179.85485075,179.51106283,179.86186230,212.97714195,198.74354602
244.78437427,-1.75496980,-0.98635488,2.10943784

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450114/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.0854

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-0.314556

>  <SCORE.INTRA.DIHEDRAL>
-0.00407805

>  <SCORE.INTRA.DIHEDRAL.0>
0.0078731

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.312517

>  <SCORE.INTRA.VDW.0>
-0.955128

>  <SCORE.INTRA.norm>
-0.026213

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
1.17379

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004035

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  214.8124  189.7454  242.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0463  188.9631  241.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9733  187.4901  242.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8351  187.0050  242.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7204  185.6562  243.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7404  184.7669  242.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8676  185.2263  242.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9779  186.5731  241.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1141  186.9179  241.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0587  187.8480  240.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
95.22341772,-5.37572460,214.29698019,186.99607887,242.28698368,1.27997705
0.50799334,0.02587207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450115/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36101

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.0389889

>  <SCORE.INTRA.DIHEDRAL>
-0.0547008

>  <SCORE.INTRA.DIHEDRAL.0>
0.814035

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0116385

>  <SCORE.INTRA.VDW.0>
0.0807596

>  <SCORE.INTRA.norm>
-0.0043321

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.706779

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006403

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  201.8621  207.6846  242.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8360  207.9245  243.6467 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7068  207.9116  244.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5629  207.7000  244.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1569  208.1856  245.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3701  208.3978  246.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5248  208.2120  245.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9323  208.0609  244.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0813  207.9994  244.0404 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3702  208.3914  246.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7678  208.4382  246.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5779  208.6423  247.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0210  208.7762  249.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6407  208.7139  249.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8262  208.5318  248.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4544  208.7652  247.6991 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-178.53760771,203.97640346,208.37520066,246.38493830,-2.57736283,0.05224162
1.42985746

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450116/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.96231

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.437687

>  <SCORE.INTRA.DIHEDRAL>
-1.31719

>  <SCORE.INTRA.DIHEDRAL.0>
1.32105

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.22091

>  <SCORE.INTRA.VDW.0>
-0.271255

>  <SCORE.INTRA.norm>
-0.0273554

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.372645

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006390

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  193.2343  207.9181  257.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6101  208.1139  256.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5648  207.1003  257.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8450  207.2626  256.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2064  208.4365  255.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2451  209.4593  255.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9663  209.3015  256.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5581  208.6014  255.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4532  207.5882  255.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8315  207.5852  254.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2859  206.4629  254.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6182  206.3795  253.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4887  207.4828  253.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0400  208.6141  254.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7444  208.6241  254.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4287  209.6861  255.8748 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.3060  209.3616  257.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3507  210.8343  255.4237 O   0  5  0  0  0  0  0  0  0  0  0  0
  204.7615  207.3485  253.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2956  208.4458  252.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1167  205.2463  252.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3053  204.1340  253.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8762  209.8171  254.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1226  210.7938  253.9058 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  3  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <CHROM.1>
1.94536122,-135.41437016,-71.32413752,136.12355633,200.04629664,208.10019013
255.01640586,2.95080486,0.32387629,0.13358379

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450117/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.68421

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-5.71579

>  <SCORE.INTRA.DIHEDRAL>
-5.14755

>  <SCORE.INTRA.DIHEDRAL.0>
18.4995

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.14201

>  <SCORE.INTRA.VDW.0>
3.30412

>  <SCORE.INTRA.norm>
-0.238158

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.153509

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  196.9740  218.9282  261.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7838  218.7611  261.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6599  219.5565  261.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7351  220.5120  262.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9295  220.6686  263.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0470  219.8909  262.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0046  221.5868  264.2091 F   0  0  0  0  0  0  0  0  0  0  0  0
  193.4213  219.3006  260.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3564  218.4325  259.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3870  220.1148  261.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1281  219.9340  260.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5928  218.6570  260.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3033  218.5114  259.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5350  219.6417  259.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0648  220.9204  259.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3660  221.0695  260.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2002  219.4890  259.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1199  219.3588  258.6692 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  3  0  0  0  0
M  END
>  <CHROM.1>
0.37827250,-176.76414553,45.71829520,192.45811233,219.77279691,261.04388828
-0.28665100,0.28320801,-2.48459024

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450118/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.00395

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-1.39605

>  <SCORE.INTRA.DIHEDRAL>
-2.97472

>  <SCORE.INTRA.DIHEDRAL.0>
5.21335

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0913138

>  <SCORE.INTRA.VDW.0>
0.157406

>  <SCORE.INTRA.norm>
-0.0775581

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.389109

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006466

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  209.5184  202.5172  238.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0902  203.9575  238.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9983  204.9469  238.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6412  206.4073  238.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1722  206.6732  238.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2670  205.6766  238.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6102  204.2385  238.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7554  208.0879  239.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4132  208.5358  240.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0239  209.1145  238.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
-61.60257442,208.55349334,206.04702452,238.87123062,-1.37322142,-0.03446429
0.15521122

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450119/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39834

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.64

>  <SCORE.INTRA>
-0.00166109

>  <SCORE.INTRA.DIHEDRAL>
0.00849179

>  <SCORE.INTRA.DIHEDRAL.0>
0.0365898

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00590698

>  <SCORE.INTRA.VDW.0>
0.675846

>  <SCORE.INTRA.norm>
-0.000166109

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.639834

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007370

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  206.2895  201.0407  253.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2659  199.6160  253.8479 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1285  199.0015  252.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0158  198.1684  252.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8160  197.5264  251.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7340  197.7190  250.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8685  198.5253  250.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0696  199.1358  251.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8248  198.6101  249.3288 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9236  199.4032  249.3648 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9672  199.5021  248.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1197  200.1909  248.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2213  200.3027  247.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7834  199.9386  246.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9859  198.6497  246.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7479  198.7909  247.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3469  200.8866  249.8069 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4479  200.8330  250.6549 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5341  197.0932  249.0187 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.8480  197.9206  253.6851 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.5445  198.1693  248.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.1787  199.7596  250.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-120.31972264,176.96444817,175.74028300,-169.92526136,2.06024653,207.78926901
199.05793202,250.36451638,-2.64236849,-0.53303594,-2.06423540

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450120/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-5.87072

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-16.2707

>  <SCORE.INTRA.DIHEDRAL>
-32.6299

>  <SCORE.INTRA.DIHEDRAL.0>
40.0257

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0442351

>  <SCORE.INTRA.VDW.0>
0.700315

>  <SCORE.INTRA.norm>
-0.813536

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
-0.293536

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  228.5135  186.9827  257.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1195  185.8232  256.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.3876  184.8614  256.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.9467  183.7804  255.7026 N   0  0  0  0  0  0  0  0  0  0  0  0
  230.3288  183.6304  255.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.8970  182.6964  255.0474 O   0  0  0  0  0  0  0  0  0  0  0  0
  231.0708  184.6200  256.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
  230.5936  185.7135  256.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.3389  186.5544  257.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.0809  182.7499  255.0868 C   0  0  2  0  0  0  0  0  0  0  0  0
  228.2707  181.3587  255.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3789  180.3109  255.0295 C   0  0  2  0  0  0  0  0  0  0  0  0
  227.7132  180.3559  253.5169 C   0  0  2  0  0  0  0  0  0  0  0  0
  227.4303  181.6578  252.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.2432  182.6759  253.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9910  179.3180  252.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5911  179.5215  252.5264 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8935  178.5533  251.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4448  178.8981  251.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8857  179.9466  251.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5449  180.2605  251.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7472  179.5149  252.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2915  178.4604  252.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6388  178.1478  252.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0281  180.6565  255.3508 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0935  179.5936  255.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6862  180.0846  255.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8006  179.3828  256.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4553  179.7379  256.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9863  180.7926  255.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8592  181.4860  254.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2039  181.1319  254.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.0705  184.5217  256.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  6  0  0  0
 13 14  1  0  0  0  0
 13 16  1  6  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-117.09108498,-157.30189680,68.11404415,-177.57045024,173.74402865,77.95054971
-171.89643381,-135.09666248,226.09608979,181.57732915,254.58230071,0.65792826
0.21994804,0.79134570

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450121/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.05

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-3.35004

>  <SCORE.INTRA.DIHEDRAL>
1.74998

>  <SCORE.INTRA.DIHEDRAL.0>
5.24938

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.22503

>  <SCORE.INTRA.VDW.0>
-1.2916

>  <SCORE.INTRA.norm>
-0.104689

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.314061

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007191

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  200.2611  218.5015  241.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9002  218.9270  239.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4617  219.3972  240.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8404  218.5778  241.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0064  217.7818  241.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1328  219.4729  242.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3820  218.6481  243.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1384  217.9722  242.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4841  216.9100  241.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1441  217.0800  240.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4602  216.0949  239.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1141  214.9197  239.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4609  214.7424  241.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1382  215.7303  242.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4404  213.9339  238.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1076  214.0982  237.6068 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0779  212.8228  239.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2820  212.1616  238.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
173.53109838,-71.16887251,66.65020726,-113.45917980,-3.10754397,178.84274140
197.01003818,216.77174441,240.74217706,-1.19826557,-0.46918744,-2.46756475

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450130/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.13017

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.611765

>  <SCORE.INTRA>
-2.26983

>  <SCORE.INTRA.DIHEDRAL>
-1.85667

>  <SCORE.INTRA.DIHEDRAL.0>
3.4655

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.34149

>  <SCORE.INTRA.VDW.0>
0.233592

>  <SCORE.INTRA.norm>
-0.133519

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.478245

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003502

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 41  0  0  0  0  0  0  0  0999 V2000
  206.8168  215.7647  240.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1249  214.4770  240.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7714  214.5327  240.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0055  213.4417  240.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4097  212.4382  239.7905 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6700  213.5535  240.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6946  212.5776  240.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6558  213.1300  241.6651 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.9801  214.3980  242.0137 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2048  214.6603  241.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4504  212.5065  242.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3482  213.2436  242.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2327  212.5287  243.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1925  211.1275  243.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2725  210.3924  242.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3909  211.0885  242.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3231  208.8990  242.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2849  208.2916  242.8847 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5719  208.2966  242.4773 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3281  208.5769  241.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6288  209.1170  241.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3469  209.3573  240.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7582  209.0669  238.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4773  208.4866  238.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7884  208.2306  240.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8894  208.0999  237.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3850  206.6912  237.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3430  208.0850  237.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3074  209.0767  236.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7194  209.7940  240.1571 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8965  208.7108  239.6025 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.8511  207.4825  240.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7782  208.7102  238.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4072  209.5580  239.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1462  209.1478  242.6684 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9265  210.2716  243.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2317  214.7481  242.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5919  207.3324  242.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.8442  210.7083  239.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 39  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
-179.86931662,2.41360062,-172.00539624,-166.70269272,15.91060562,-55.07060129
122.44058042,-141.96497304,110.26558560,85.17494316,-55.01090897,201.64361653
210.68821753,240.68399524,0.29428979,0.31905236,0.44346852

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450131/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.33151

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.443243

>  <SCORE.INTRA>
-11.0685

>  <SCORE.INTRA.DIHEDRAL>
-11.902

>  <SCORE.INTRA.DIHEDRAL.0>
18.5995

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.71751

>  <SCORE.INTRA.VDW.0>
-0.650952

>  <SCORE.INTRA.norm>
-0.299148

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.144095

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000205

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 37  0  0  0  0  0  0  0  0999 V2000
  212.9487  192.3866  246.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6776  190.9968  245.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7183  190.2030  245.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1411  189.1667  246.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2085  188.3477  245.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8538  188.6120  244.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4325  189.6149  243.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3739  190.4226  244.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0412  189.7624  242.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5074  188.4310  241.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7693  187.9866  242.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1357  186.7198  242.0827 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.9549  186.4101  242.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.3436  185.9050  241.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1459  186.2912  240.8937 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7258  187.5318  241.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4755  187.8724  240.7020 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7194  184.5968  241.1104 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7851  187.3252  246.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3850  185.9904  246.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2320  184.9366  247.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3613  184.3092  246.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2826  185.2798  245.4490 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.7412  186.4543  246.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5427  187.5071  245.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8679  187.1210  244.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8987  187.1158  245.6469 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7546  186.8888  243.6812 O   0  5  0  0  0  0  0  0  0  0  0  0
  219.4185  184.4429  244.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5838  184.5655  243.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1310  183.7273  245.5849 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.2674  189.0001  248.0156 Br  0  0  0  0  0  0  0  0  0  0  0  0
  213.7845  188.0469  241.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.1673  187.1480  240.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.0103  183.9851  240.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2827  184.2225  241.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  CHG  3  12   1  28  -1  31  -1
M  END
>  <CHROM.1>
120.51280259,99.16247341,29.70869593,-84.28606046,167.88870129,-67.03764321
172.21365720,-99.24455295,48.83703949,46.29816789,-174.41077103,125.40036087
-61.59393779,-83.49379290,216.39189547,187.57378330,244.88525824,2.81446199
-0.64724727,1.68539837

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450132/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.29788

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.625806

>  <SCORE.INTRA>
-14.1021

>  <SCORE.INTRA.DIHEDRAL>
3.97101

>  <SCORE.INTRA.DIHEDRAL.0>
15.0732

>  <SCORE.INTRA.POLAR>
-3.59855

>  <SCORE.INTRA.POLAR.0>
-0.0827986

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.85256

>  <SCORE.INTRA.VDW.0>
-0.824533

>  <SCORE.INTRA.norm>
-0.454907

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.170899

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000055

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  200.0543  200.5781  252.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4733  199.2060  252.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5577  198.1350  252.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9745  196.7833  251.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8520  196.2988  250.5945 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2774  195.0493  250.7439 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.0051  194.7092  252.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4687  193.7198  252.5595 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4760  195.8775  252.8771 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.3877  196.4607  253.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2561  196.7581  253.1874 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2659  197.3439  254.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8539  198.7046  253.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0064  198.5408  252.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8005  198.0117  251.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7040  198.8329  250.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3567  198.3600  249.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1692  197.0428  248.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3146  196.2024  249.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6238  196.6878  250.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9004  194.3160  249.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2601  194.7491  248.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7847  194.0807  247.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9905  192.9497  247.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6488  192.4842  248.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1073  193.1627  249.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5510  192.3008  246.2290 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-179.93520186,91.25522902,8.68572769,63.45976423,122.55390213,71.11474721
-69.17220763,-74.33774620,198.00610144,196.17868345,250.76153214,-1.63120486
0.49658495,-2.36583050

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450133/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.81919

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-4.58081

>  <SCORE.INTRA.DIHEDRAL>
0.380292

>  <SCORE.INTRA.DIHEDRAL.0>
4.2835

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.77096

>  <SCORE.INTRA.VDW.0>
-1.81091

>  <SCORE.INTRA.norm>
-0.16966

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.326637

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000272

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  224.0533  187.7852  247.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4974  186.6093  248.6964 Bi  0  0  0  0  0  0  0  0  0  0  0  0
  221.3806  188.4968  249.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2161  186.2527  246.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5724  184.7690  247.3632 Bi  0  0  0  0  0  0  0  0  0  0  0  0
  220.9847  183.3881  248.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0023  185.8415  249.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <CHROM.1>
171.03931225,-44.73184414,221.07923079,185.78936859,248.07111600,-0.67455487
-0.06408566,-2.57588667

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450134/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35537

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05714

>  <SCORE.INTRA>
-0.0446279

>  <SCORE.INTRA.DIHEDRAL>
0.250961

>  <SCORE.INTRA.DIHEDRAL.0>
0.929345

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.170109

>  <SCORE.INTRA.VDW.0>
-0.361707

>  <SCORE.INTRA.norm>
-0.00637542

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.05077

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.154149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  193.5253  218.2648  251.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4067  217.0870  251.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6840  217.5271  250.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3978  218.4178  249.4240 N   0  3  0  0  0  0  0  0  0  0  0  0
  194.9830  217.8672  248.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4463  219.5589  249.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1922  219.0636  250.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7376  218.9836  248.8491 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7252  217.8937  248.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0518  217.9498  248.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9800  216.9952  248.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5977  215.9660  247.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2859  215.8944  247.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3553  216.8447  247.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4887  219.9070  247.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0180  221.0144  247.5138 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6965  219.4111  246.6252 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2966  218.4758  246.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5198  219.9871  245.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
56.91850234,-129.45318792,132.25676637,196.45915045,218.22352240,248.87924423
-3.04176104,0.57617757,-0.67913956

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450135/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.06696

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.525

>  <SCORE.INTRA>
-0.333043

>  <SCORE.INTRA.DIHEDRAL>
0.0266113

>  <SCORE.INTRA.DIHEDRAL.0>
1.77877

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.346348

>  <SCORE.INTRA.VDW.0>
-1.78507

>  <SCORE.INTRA.norm>
-0.0208152

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.504185

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006076

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  216.4678  192.2532  249.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3927  191.3456  248.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0092  190.1900  248.3367 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8856  189.0659  247.6534 P   0  0  0  0  0  0  0  0  0  0  0  0
  216.0452  188.2726  247.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3843  188.6443  249.1345 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.3999  187.5079  249.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6685  187.4247  251.3175 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.1877  185.7354  251.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2124  184.9584  250.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0259  185.9916  249.1495 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.7620  187.9418  246.9700 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4249  188.3959  247.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4624  187.3860  246.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.77784991,170.15292242,-120.16622295,101.60420573,-178.99953477,214.48159599
188.09609137,248.89386299,-1.02997571,0.96929866,2.23291610

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450136/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.18492

>  <SCORE.INTRA.VDW.0>
-2.03024

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000861

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  215.8944  176.2880  243.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4694  175.9627  244.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4914  175.1479  245.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2962  175.7711  245.9880 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.2231  173.9375  245.2749 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.9765  174.9094  247.0684 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.6615  175.3205  244.8431 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.7628  177.1580  245.5802 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.6172  175.1098  242.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4577  174.6273  242.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
-61.64749438,-60.72870279,-57.14023356,215.93913465,175.48397136,245.16197412
1.14561386,-0.70481008,-1.63924616

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450170/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.27604

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-4.12396

>  <SCORE.INTRA.DIHEDRAL>
-4.85394

>  <SCORE.INTRA.DIHEDRAL.0>
4.89104

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.69698

>  <SCORE.INTRA.VDW.0>
0.616426

>  <SCORE.INTRA.norm>
-0.458217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.364005

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066588

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  7  0  0  0  0  0  0  0  0999 V2000
  217.1923  183.9920  239.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5508  183.8440  238.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6207  183.4999  239.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6820  184.2819  239.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4920  183.6258  240.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0270  182.3636  241.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6251  181.9730  240.1034 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <CHROM.1>
-111.82120348,219.66626167,183.14602052,239.78368315,2.68185138,-0.40678552
-0.38790614

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450171/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.9526

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.914286

>  <SCORE.INTRA>
-0.447399

>  <SCORE.INTRA.DIHEDRAL>
-1.16654

>  <SCORE.INTRA.DIHEDRAL.0>
1.28861

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.135869

>  <SCORE.INTRA.VDW.0>
-0.278565

>  <SCORE.INTRA.norm>
-0.0639142

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
0.850372

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005876

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  192.0047  202.0052  244.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8214  202.0465  245.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1533  201.0687  246.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2318  201.5006  245.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9885  203.3906  246.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6239  204.6193  246.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1985  204.5632  246.1485 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8055  205.4014  247.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9408  204.8617  244.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <CHROM.1>
-62.03306426,192.86139456,203.27895074,245.92161328,-1.52390324,0.79610779
0.10699518

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450172/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.37318

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-1.02682

>  <SCORE.INTRA.DIHEDRAL>
0.549227

>  <SCORE.INTRA.DIHEDRAL.0>
2.12142

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.30143

>  <SCORE.INTRA.VDW.0>
0.935688

>  <SCORE.INTRA.norm>
-0.114091

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.59702

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000620

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 21  0  0  0  0  0  0  0  0999 V2000
  214.8251  189.6170  242.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1774  190.2909  242.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0041  191.7639  241.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3579  192.4430  241.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1762  193.9107  241.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5296  194.5881  241.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3473  196.0556  241.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7008  196.7320  240.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5204  198.2033  240.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8732  198.8741  240.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6855  200.3416  240.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5244  201.6004  239.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3111  203.0307  239.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9350  203.4302  239.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4878  203.3517  241.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2135  203.1221  242.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9882  203.5586  241.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2022  202.3664  240.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4789  201.0811  241.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7092  199.9054  240.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9796  198.6376  241.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9914  197.1526  240.8163 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
179.95497696,179.68153566,179.85301001,-179.80809849,179.98487858,-179.38152781
179.79588673,179.07629548,125.24260343,-35.72050554,64.55765747,8.64806970
72.18019767,61.95542270,-177.97443615,-179.43257712,179.87059744,217.32919781
197.97503859,241.04401629,1.82268337,-0.06909684,3.03790492

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450173/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.2661

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.01818

>  <SCORE.INTRA>
-2.13394

>  <SCORE.INTRA.DIHEDRAL>
-1.07904

>  <SCORE.INTRA.DIHEDRAL.0>
3.05561

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.59442

>  <SCORE.INTRA.VDW.0>
-1.7217

>  <SCORE.INTRA.norm>
-0.0969972

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.921185

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005000

$$$$
rDock on collection 9274/Array of sdfs_007924.sdf.sdf
 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  214.2372  206.8486  246.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5736  207.0878  244.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0989  207.4668  244.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4520  207.6942  243.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9744  208.0781  243.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8438  209.4786  244.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4818  209.9314  244.2002 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2506  211.1813  244.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0880  211.9525  245.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8514  211.5756  244.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1910  210.9225  243.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9346  211.3351  242.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3165  212.4187  243.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9517  213.0764  244.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2241  212.6714  245.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7451  213.3153  246.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7829  214.5208  246.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3977  212.3796  246.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1002  212.8975  248.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7514  211.8003  248.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7836  211.0398  248.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4322  209.8911  248.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4427  209.1318  248.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0758  207.9784  248.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-179.67555157,-179.91951345,69.67956717,173.02690461,-179.37298765,1.42536868
-22.13022854,137.80839996,172.36908186,177.19415724,61.15003293,-177.89766220
179.13448778,-179.31101232,208.92627729,210.57556195,245.69639250,0.15856512
0.64972406,-2.04673069

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450174/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.23789

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.808333

>  <SCORE.INTRA>
-14.1621

>  <SCORE.INTRA.DIHEDRAL>
-27.9593

>  <SCORE.INTRA.DIHEDRAL.0>
36.623

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.18246

>  <SCORE.INTRA.VDW.0>
-1.0784

>  <SCORE.INTRA.norm>
-0.590088

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.218245

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.079949

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  213.0354  180.9664  248.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4502  181.0305  249.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4137  180.6707  248.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7637  182.0923  250.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0330  181.7867  251.3973 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3650  182.7544  252.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5001  184.0626  252.0196 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2563  184.3446  250.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8708  183.4621  249.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6905  184.1499  248.5416 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0437  185.3888  248.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4557  185.5443  250.1057 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3043  186.6443  250.5398 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.7392  186.1219  250.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7738  185.7301  252.1920 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.1210  186.8984  252.7962 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.0306  187.3288  251.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5624  187.5441  253.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5303  187.1282  254.5887 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8031  188.8237  254.4088 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.4996  188.5287  255.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4851  187.5445  254.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6158  186.1776  254.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8637  185.2474  254.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9621  185.6504  253.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7560  187.0088  252.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5191  187.9508  253.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4441  184.6119  252.4560 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8103  184.8730  251.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7227  189.7246  255.1379 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.1442  185.2138  252.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1511  184.7526  253.9733 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4813  189.9744  254.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1498  189.2291  255.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.9866  185.5407  254.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <CHROM.1>
105.74047529,56.89416899,-175.37784123,79.84638602,-48.35352692,59.59637350
85.53177928,-163.18110273,-65.64883561,215.50398534,185.29351776,252.04856665
1.89891240,-0.02789404,-2.42223085

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450175/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0731154

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.41875

>  <SCORE.INTRA>
-13.4731

>  <SCORE.INTRA.DIHEDRAL>
-7.7659

>  <SCORE.INTRA.DIHEDRAL.0>
14.4374

>  <SCORE.INTRA.POLAR>
-0.948036

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.36685

>  <SCORE.INTRA.VDW.0>
0.0665173

>  <SCORE.INTRA.norm>
-0.421035

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
-0.00228486

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006931

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  210.3397  192.2000  246.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6196  192.9889  247.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4125  192.2816  247.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6346  192.8474  248.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8548  193.9101  249.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3842  192.0458  248.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4851  192.1781  247.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4955  192.8942  247.4616 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8889  191.3742  246.4796 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2147  191.5499  245.2176 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6704  192.8237  244.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8821  192.9564  242.8044 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.3981  194.4131  245.2416 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.4569  192.7304  244.1181 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.4555  189.8364  244.2633 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
179.61197927,3.42763695,-69.74179253,-101.29223692,-171.52706936,76.08503387
176.37680342,206.32206111,192.13348698,245.52081035,-0.51210690,0.92531259
-2.93933178

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450176/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.45115

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.826667

>  <SCORE.INTRA>
-8.94885

>  <SCORE.INTRA.DIHEDRAL>
-14.2798

>  <SCORE.INTRA.DIHEDRAL.0>
18.8959

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.80893

>  <SCORE.INTRA.VDW.0>
-1.47173

>  <SCORE.INTRA.norm>
-0.59659

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.230077

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004465

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 30  0  0  0  0  0  0  0  0999 V2000
  223.7539  197.0960  226.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3901  196.1430  227.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3111  196.7548  228.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9425  195.8007  229.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8659  196.4180  230.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5042  195.4657  231.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4289  196.0828  232.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0686  195.1308  233.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9910  195.7474  234.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6343  194.7973  235.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5543  195.4116  236.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2005  194.4633  237.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1190  195.0771  238.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7648  194.1282  239.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6864  194.7426  240.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3334  193.7908  241.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2549  194.4012  242.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9021  193.4474  243.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8556  194.0614  244.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1591  194.8614  245.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0690  195.4225  246.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2633  196.3385  247.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.7474  194.8061  246.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4164  194.0091  245.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4305  193.7088  244.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1174  193.1592  243.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1591  193.4382  245.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4502  195.2022  245.8449 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1075  192.8885  244.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.4614  195.7826  246.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
179.90769034,179.96844713,-179.73438617,179.97362824,-179.95045992,-179.86921537
-179.80783045,-179.84597299,-179.83410319,-179.92298058,179.96630332,179.82627254
179.96000459,-179.96978287,179.99886913,178.89486604,-87.29028182,-179.55854593
-179.42249657,214.97679504,195.00483970,238.63269579,-0.81732040,0.49571728
1.26494218

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450177/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
21.7412

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.658795

>  <SCORE.INTRA.DIHEDRAL>
-0.0082435

>  <SCORE.INTRA.DIHEDRAL.0>
0.705657

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.654673

>  <SCORE.INTRA.VDW.0>
-2.1644

>  <SCORE.INTRA.norm>
-0.0235284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.776472

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007592

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  198.6581  200.6725  246.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2254  199.9333  244.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1763  198.9657  245.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5917  198.6878  246.5434 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0340  199.4082  247.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0744  200.4011  247.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4213  201.2676  248.7020 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.6448  198.9621  249.0843 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.9616  197.9790  244.1164 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.7710  200.2016  243.3167 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  197.4190  201.9444  245.6932 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.5374  201.1529  245.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
57.45052248,199.37916763,199.92495544,246.21750484,1.48843462,0.80635557
-1.70135998

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450194/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.42397

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.976026

>  <SCORE.INTRA.DIHEDRAL>
3.69993e-05

>  <SCORE.INTRA.DIHEDRAL.0>
2

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.976044

>  <SCORE.INTRA.VDW.0>
0.716677

>  <SCORE.INTRA.norm>
-0.0887296

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.493089

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004377

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  202.0155  221.1037  240.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7377  221.4885  239.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5665  220.5554  239.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8313  220.6849  238.5214 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1096  219.9514  237.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1036  220.2349  236.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1377  219.6082  235.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1867  218.7221  234.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1819  218.4454  235.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1549  219.0558  237.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2399  218.0789  233.5804 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.3429  218.3477  232.7684 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1810  217.3039  233.3538 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.2058  221.1657  237.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0116  221.7820  236.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3491  222.6789  237.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8703  222.9844  238.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0507  222.3872  239.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6979  221.4631  238.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
>  <CHROM.1>
-118.60513063,90.37733050,198.62139615,220.25607078,236.88120306,-1.80195563
0.45069355,-2.10561256

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450195/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.3972

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.00279846

>  <SCORE.INTRA.DIHEDRAL>
0.000617231

>  <SCORE.INTRA.DIHEDRAL.0>
2.03926

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00310707

>  <SCORE.INTRA.VDW.0>
-0.903881

>  <SCORE.INTRA.norm>
-0.000147287

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.389326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001894

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  195.2122  213.4242  257.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8717  212.6982  256.8961 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.9119  213.0093  258.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8508  212.1343  259.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9785  212.3878  260.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1585  213.5175  260.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2081  214.3985  259.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0736  214.1517  258.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3931  212.8783  255.5029 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1237  214.1137  254.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7572  214.0168  253.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4801  215.1493  252.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5629  216.4157  253.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9241  216.5517  254.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2000  215.4274  255.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2336  211.7293  254.8039 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9268  211.2423  255.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
-94.07365041,-57.50633184,175.68726774,87.94233513,192.77799304,213.66739292
256.31657496,-1.97457790,1.27863084,-0.84152755

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450196/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.68274

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.552941

>  <SCORE.INTRA>
-1.71726

>  <SCORE.INTRA.DIHEDRAL>
0.0750244

>  <SCORE.INTRA.DIHEDRAL.0>
7.0634

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.75478

>  <SCORE.INTRA.VDW.0>
0.94171

>  <SCORE.INTRA.norm>
-0.101016

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.451926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004124

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  202.4611  222.4095  247.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6373  221.3291  246.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7008  220.2303  247.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3781  220.1133  248.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8226  219.1502  247.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7805  217.9352  247.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9880  216.8814  247.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2349  217.0397  246.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2629  218.2478  245.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0560  219.3027  245.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4066  215.9251  245.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3502  214.8454  246.1955 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
0.00863280,179.48300440,0.07496397,200.46517923,218.66846942,246.82012589
0.62732260,-0.87151490,-0.55852784

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450197/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.38922

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-0.0107819

>  <SCORE.INTRA.DIHEDRAL>
-0.0284201

>  <SCORE.INTRA.DIHEDRAL.0>
0.0291145

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00342811

>  <SCORE.INTRA.VDW.0>
1.97752

>  <SCORE.INTRA.norm>
-0.000898494

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.699102

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.170846

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  202.2513  198.1344  246.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3308  199.5122  247.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0534  200.3037  245.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7309  199.7364  244.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5781  198.3356  244.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8565  197.5538  245.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1368  197.5524  243.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1172  196.3229  243.3904 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7296  198.2193  242.2714 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5824  200.5250  243.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5261  201.5068  243.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1466  202.0690  242.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9182  201.0226  241.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7224  199.2321  242.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4075  197.6664  241.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.6777  201.4412  240.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
-60.80994043,175.24534050,-164.10919271,49.69530037,179.77150840,201.24899191
199.32880907,244.06572628,-0.44908497,-1.18872158,0.18477451

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450198/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01153

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-4.38847

>  <SCORE.INTRA.DIHEDRAL>
2.20243

>  <SCORE.INTRA.DIHEDRAL.0>
3.10482

>  <SCORE.INTRA.POLAR>
-0.832512

>  <SCORE.INTRA.POLAR.0>
-0.549819

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.65915

>  <SCORE.INTRA.VDW.0>
1.98374

>  <SCORE.INTRA.norm>
-0.337575

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.385502

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005181

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  213.5223  184.6601  245.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5561  185.0054  246.6651 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1496  185.1492  248.0309 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7668  183.8111  248.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8153  182.7151  248.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0322  182.9433  249.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0734  182.0183  249.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9300  180.8550  248.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7258  180.6002  247.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6398  181.4821  248.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3727  181.1701  247.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9311  179.8552  247.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4734  179.7524  249.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5953  179.8826  250.3340 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.8286  181.0332  251.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0890  181.0284  251.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5945  182.1394  252.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7869  183.2734  252.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4587  183.2224  252.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9845  182.1156  251.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3595  184.5776  252.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5651  185.0254  252.7777 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3948  184.1414  252.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5116  183.8357  252.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4575  185.4851  253.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2032  185.0610  254.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4216  185.9044  255.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8666  187.1907  255.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0892  187.6387  254.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8838  186.7895  254.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9320  179.5063  251.4259 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.6154  178.9318  250.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6749  177.8686  249.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2417  185.9361  248.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3830  186.1227  248.3906 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7467  186.4638  249.9467 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7043  187.2647  250.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <CHROM.1>
70.10404006,55.21425697,-16.18087579,63.77491115,-130.98154538,76.68196240
-69.33345735,106.58555079,34.16195760,10.11511396,-119.31765502,-177.01169835
214.82872085,183.14275979,250.62377846,-2.99302759,1.56042500,2.06724576

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450199/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.77102

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47027

>  <SCORE.INTRA>
-9.62898

>  <SCORE.INTRA.DIHEDRAL>
-2.65862

>  <SCORE.INTRA.DIHEDRAL.0>
17.3401

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.29967

>  <SCORE.INTRA.VDW.0>
2.29448

>  <SCORE.INTRA.norm>
-0.260243

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.210027

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001655

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 45  0  0  0  0  0  0  0  0999 V2000
  194.8983  216.6746  260.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2368  215.2484  261.1157 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.1124  214.3997  260.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2810  213.2820  261.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7147  212.4920  262.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0060  210.9565  261.9612 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.3998  210.5777  262.7226 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5468  209.1274  263.1798 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4755  208.2165  261.8846 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.1730  208.6355  261.1562 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0187  210.1580  260.5683 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.8920  211.0804  259.4765 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2228  211.8614  259.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4686  212.6926  260.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5533  213.6035  261.1759 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.8500  215.0083  260.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5766  215.9728  260.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0241  213.5339  262.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6849  213.1379  260.4612 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5049  211.2301  258.0686 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1901  210.6058  257.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1626  209.9052  257.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6869  210.9609  255.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6343  209.9546  259.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9086  210.8347  259.4936 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3133  208.6056  259.8213 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1783  207.6688  260.5034 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3720  206.8851  261.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7426  207.6733  262.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7362  207.1731  264.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1750  207.9143  265.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5984  209.1530  264.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5313  209.6210  263.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0864  208.8782  262.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7226  206.7603  262.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8916  209.0078  263.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4937  208.7936  264.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6366  210.7158  262.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4662  213.2951  259.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4270  208.3376  259.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6352  208.9498  263.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6854  210.1186  261.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  6  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  6  0  0  0
  8  9  1  0  0  0  0
  8 36  1  1  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  1  0  0  0
 10 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 37 41  1  0  0  0  0
 38 42  1  0  0  0  0
M  END
>  <CHROM.1>
-63.17534007,57.07659283,-106.37554883,65.09616626,-0.92226398,49.20825915
-141.72379275,194.53687137,210.79436819,261.19979990,-0.37541871,0.96390221
1.58813319

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450200/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.663815

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.247368

>  <SCORE.INTRA>
-10.0638

>  <SCORE.INTRA.DIHEDRAL>
-12.2565

>  <SCORE.INTRA.DIHEDRAL.0>
17.1427

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.93555

>  <SCORE.INTRA.VDW.0>
1.26218

>  <SCORE.INTRA.norm>
-0.264837

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
-0.0174688

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001789

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  218.0992  183.8930  236.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2155  184.2521  237.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1484  185.4786  238.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5863  185.5153  239.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5680  186.7098  240.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1357  187.8969  239.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7119  187.8583  238.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7199  186.6561  237.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1012  189.1902  240.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3572  190.0346  240.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5511  190.8756  239.7047 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3003  189.7461  241.4989 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1127  190.2837  241.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
138.00248621,90.79820339,88.38290767,178.05325804,219.50203209,187.37211232
239.33639689,2.19175554,1.07774460,3.06621207

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450210/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.37894

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-1.02106

>  <SCORE.INTRA.DIHEDRAL>
1.22145

>  <SCORE.INTRA.DIHEDRAL.0>
2.96796

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.63178

>  <SCORE.INTRA.VDW.0>
1.8408

>  <SCORE.INTRA.norm>
-0.0850884

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.614912

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008694

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 41  0  0  0  0  0  0  0  0999 V2000
  215.2651  193.7542  245.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5082  192.3591  246.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1336  192.3211  247.4894 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7848  191.0160  247.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7099  190.1423  248.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0623  191.1160  249.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0523  192.4340  248.5324 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.0385  193.7525  249.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2163  195.0384  248.6731 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5202  195.7138  248.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6010  195.0668  247.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4459  194.0903  248.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2740  193.3654  247.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0649  192.2755  247.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6884  191.4960  246.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5767  191.8369  245.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8279  192.9489  245.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1767  193.7023  246.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3940  194.8008  245.6661 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6478  195.5346  246.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0049  196.5095  246.1734 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1529  191.1072  244.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1421  190.2023  244.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6285  189.4708  246.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3777  190.3936  247.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1503  195.4872  247.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1136  194.8229  247.8375 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3258  196.6745  247.2098 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3095  197.3737  246.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6653  198.4627  245.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6883  199.1880  244.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3346  198.8443  245.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9801  197.7584  245.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9528  197.0395  246.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2632  199.6094  244.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3666  195.1044  244.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2719  196.9735  247.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 37  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-158.60076282,44.36080521,-105.61927480,76.06940847,-92.05921347,-171.09146767
216.49820295,194.12059464,246.79286188,-2.57702218,-0.42044091,2.52384188

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450211/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.32205

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325714

>  <SCORE.INTRA>
-7.07795

>  <SCORE.INTRA.DIHEDRAL>
0.269452

>  <SCORE.INTRA.DIHEDRAL.0>
4.78007

>  <SCORE.INTRA.POLAR>
-0.772338

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.58673

>  <SCORE.INTRA.VDW.0>
-1.92729

>  <SCORE.INTRA.norm>
-0.202227

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.123487

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  209.9571  198.5731  250.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3276  198.7521  249.3492 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6756  198.7899  249.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5097  198.7095  250.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9649  198.9543  247.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2788  198.9939  247.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4375  199.0852  245.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3240  199.1943  244.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0357  199.1479  245.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8582  199.0128  246.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5429  199.4237  243.2538 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.7722  198.8427  248.1742 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.8901  200.0778  247.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0293  199.5737  246.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9610  200.4113  246.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7639  201.7834  246.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6408  202.3103  246.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6866  201.4757  247.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5525  202.2120  248.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4144  203.4221  248.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6755  201.3907  248.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5737  202.0629  249.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
-1.38407707,-178.41962501,-138.01062832,-112.34199776,-175.29868903,179.81509546
213.60129543,200.00604280,247.30533990,-2.90472870,-0.44404339,-1.75060997

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450212/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.0269

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-3.3731

>  <SCORE.INTRA.DIHEDRAL>
-7.57386

>  <SCORE.INTRA.DIHEDRAL.0>
11.5186

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.413836

>  <SCORE.INTRA.VDW.0>
1.69495

>  <SCORE.INTRA.norm>
-0.153323

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.364859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002139

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 49  0  0  0  0  0  0  0  0999 V2000
  206.2899  192.3767  242.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4778  192.2262  241.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6567  192.5389  242.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6960  192.9257  243.3751 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.5285  193.1535  244.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2802  192.8350  243.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9267  193.0587  244.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4462  194.5108  244.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1446  194.5511  245.1641 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3469  193.8872  246.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7570  194.4688  247.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9999  192.5805  246.5509 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7037  195.9420  245.3537 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5441  193.5986  245.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1950  195.0403  245.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1543  195.3621  247.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5518  196.7675  247.6496 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4240  197.8490  246.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3028  198.4814  247.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1213  198.0526  245.6818 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1825  196.8420  247.1187 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0734  193.0819  243.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4708  194.5593  244.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8203  194.7875  244.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6797  194.4692  246.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9718  194.6248  247.0444 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.0339  193.5929  246.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3171  192.5956  247.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6109  193.8668  245.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.5007  195.9846  246.8267 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4859  191.6896  240.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3655  190.1622  239.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0714  189.5472  240.4409 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8329  190.0072  239.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2246  189.2837  238.8733 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4673  191.2849  239.8894 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2207  188.0831  240.4440 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6845  192.2336  245.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.3975  196.4412  245.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8454  195.9811  245.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.6661  198.7310  245.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7506  197.7270  247.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5902  196.1168  247.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2767  193.2096  245.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.3723  196.0928  247.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.8739  196.6925  247.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6865  191.5291  239.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3580  187.5574  240.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.9988  187.7352  240.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 44  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 31 32  1  0  0  0  0
 33 32  1  6  0  0  0
 33 34  1  0  0  0  0
 33 37  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 47  1  0  0  0  0
 37 48  1  0  0  0  0
 37 49  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <CHROM.1>
-79.78597910,102.03580583,106.38925915,-106.91266735,-173.71225659,59.35272700
87.32398632,-64.78605456,0.93219934,176.24722834,-170.07522487,-61.89114543
-94.35579888,171.54539107,-179.57049131,175.26860022,-69.40559167,178.63416721
-66.37165757,-103.79180927,-179.13000393,-178.76050001,61.76596262,64.62240780
106.31118606,-165.00815032,179.10292896,207.58534733,193.66756999,244.39677136
-2.31251328,-0.07247007,0.82785280

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450213/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.4827

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.767568

>  <SCORE.INTRA>
-11.9173

>  <SCORE.INTRA.DIHEDRAL>
-0.617453

>  <SCORE.INTRA.DIHEDRAL.0>
10.8894

>  <SCORE.INTRA.POLAR>
-2

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.80861

>  <SCORE.INTRA.VDW.0>
-1.46171

>  <SCORE.INTRA.norm>
-0.32209

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.445477

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.085753

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  205.6546  209.5984  250.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2982  209.9775  250.6630 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.0491  208.9958  251.6803 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7607  207.8590  251.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6663  206.8387  252.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6454  208.0871  250.1939 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.9924  207.5252  250.3481 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1590  209.9559  249.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8362  210.3615  250.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9702  211.7183  250.8179 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0842  211.8547  252.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0827  210.9036  253.0480 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2785  213.0842  252.6046 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9499  206.5082  250.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.4086  207.8408  251.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.7581  210.1603  252.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.1808  210.5631  253.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.6997  213.0495  253.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.6719  213.7947  252.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <CHROM.1>
-179.51218302,-178.84445758,60.43981348,-105.46913765,54.73153661,-158.03053809
203.81805840,209.73541382,251.19653699,-0.25700737,0.82943525,-0.96344789

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450214/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.61552

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.876923

>  <SCORE.INTRA>
-5.78448

>  <SCORE.INTRA.DIHEDRAL>
-2.22893

>  <SCORE.INTRA.DIHEDRAL.0>
3.55127

>  <SCORE.INTRA.POLAR>
-0.999856

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.2705

>  <SCORE.INTRA.VDW.0>
-0.270089

>  <SCORE.INTRA.norm>
-0.44496

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.431963

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.053028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  211.1848  190.9121  253.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6008  190.0284  254.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9997  188.9803  255.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7709  190.4970  255.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3550  190.3460  257.5038 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.3423  188.6170  257.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6807  187.9559  258.6021 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.8935  186.6116  258.3635 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6821  186.5418  257.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9947  187.7786  256.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1568  185.3525  256.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1750  185.0110  255.5723 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0139  185.9065  254.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7268  185.9628  253.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4451  186.8247  252.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4513  187.6341  252.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7397  187.5898  252.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0144  186.7294  254.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6410  188.4244  252.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7211  188.8968  253.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
133.05345098,69.84952517,-156.03624264,85.84623889,67.91144968,-149.69611563
151.99962839,212.25781733,188.00839308,255.35101110,-1.22972634,1.53789027
1.05670118

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450215/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.59314

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-3.80686

>  <SCORE.INTRA.DIHEDRAL>
2.13147

>  <SCORE.INTRA.DIHEDRAL.0>
3.77165

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.87259

>  <SCORE.INTRA.VDW.0>
2.38892

>  <SCORE.INTRA.norm>
-0.190343

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.429657

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000243

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  203.5291  210.8872  244.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2904  211.3057  245.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6807  211.3560  245.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2915  210.9872  244.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5434  210.5599  243.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1568  210.5169  243.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2026  210.0103  242.0280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.7329  211.0413  244.2159 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.2793  212.1461  244.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3052  209.9821  243.9180 O   0  5  0  0  0  0  0  0  0  0  0  0
  206.4211  211.7386  246.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.3684  211.7169  246.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <CHROM.1>
179.49589794,205.56049285,210.85701776,244.09273966,2.59324593,-0.04540772
-1.94825106

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450216/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.10692

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.490909

>  <SCORE.INTRA>
-0.293078

>  <SCORE.INTRA.DIHEDRAL>
-0.0185475

>  <SCORE.INTRA.DIHEDRAL.0>
0.0191317

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.283804

>  <SCORE.INTRA.VDW.0>
0.344206

>  <SCORE.INTRA.norm>
-0.0266434

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.464266

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003561

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  197.1609  210.3762  248.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5294  210.4668  248.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4979  211.4602  248.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7682  211.2434  249.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0950  210.1327  249.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1079  209.2223  250.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8349  209.3934  249.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4855  209.8873  250.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8141  208.8324  250.7899 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3912  210.8908  249.9869 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.8079  210.8151  250.3414 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7302  210.7320  249.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3164  211.6011  247.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2917  211.3804  246.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8781  212.5009  245.9383 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6471  213.3982  246.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8511  212.8864  248.1158 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1139  212.0474  251.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7583  211.9976  252.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6392  213.2094  250.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3320  212.5666  247.5735 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3832  213.1800  246.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0352  214.4532  247.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8832  214.1913  248.8236 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.0050  213.2452  247.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7151  214.2447  248.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7595  213.4795  250.2083 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.1083  211.7434  249.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7245  213.3845  248.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8430  214.0026  251.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  6  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-146.65830961,-169.65071907,112.61515825,39.68000348,134.27079857,-138.74259586
-179.01201265,-100.78023221,81.98151434,61.76470015,-58.84429240,201.73305041
212.02253267,248.99719195,3.02593065,-0.01380307,-0.65829852

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450217/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2491

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.57037

>  <SCORE.INTRA>
-5.15093

>  <SCORE.INTRA.DIHEDRAL>
-0.149342

>  <SCORE.INTRA.DIHEDRAL.0>
13.0025

>  <SCORE.INTRA.POLAR>
-0.884965

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.06738

>  <SCORE.INTRA.VDW.0>
-3.44677

>  <SCORE.INTRA.norm>
-0.190775

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.379595

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000420

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  193.0612  221.1051  252.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4919  221.5101  252.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7953  221.4546  253.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2827  220.3761  254.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5247  219.1453  253.9870 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9929  218.3004  254.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2272  218.6029  256.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9917  219.9175  256.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4785  220.8130  255.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0543  222.1642  255.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6252  222.5592  254.5410 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2913  220.3539  258.0533 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2697  221.6839  258.2656 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.6131  222.2043  259.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0517  221.4673  260.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5287  223.7107  259.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6605  217.4548  257.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7290  216.3124  256.6838 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8301  217.8032  258.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1896  216.7292  259.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3324  217.3198  260.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6796  219.6705  258.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
89.78667435,-4.29256295,166.79676631,-175.42962202,177.22497691,179.91392788
195.91873227,220.02158463,256.65998250,-3.07484360,-1.19481097,0.44973840

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450250/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.88914

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-4.51086

>  <SCORE.INTRA.DIHEDRAL>
-9.02712

>  <SCORE.INTRA.DIHEDRAL.0>
11.831

>  <SCORE.INTRA.POLAR>
-0.0489602

>  <SCORE.INTRA.POLAR.0>
-0.485706

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.169159

>  <SCORE.INTRA.VDW.0>
-0.740119

>  <SCORE.INTRA.norm>
-0.214803

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.328054

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000117

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  214.3479  185.6404  247.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2316  184.8152  246.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7818  184.4724  245.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4392  184.9547  244.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5486  185.8043  244.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0037  186.1370  246.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7810  184.3300  242.8241 As  0  0  0  0  0  0  0  0  0  0  0  0
  211.7860  185.9516  242.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4557  185.8210  241.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7007  186.9536  241.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2742  188.2241  241.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6020  188.3598  242.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3589  187.2263  242.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2526  184.6909  241.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1245  183.0668  241.5348 As  0  0  0  0  0  0  0  0  0  0  0  0
  215.2442  182.6211  243.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3260  183.1591  244.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4580  182.9387  245.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5077  182.1705  246.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4227  181.6250  245.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2845  181.8524  244.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6374  181.9001  241.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9244  180.5382  240.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9379  179.6520  240.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6466  180.1165  240.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3434  181.4726  240.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3374  182.3671  240.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
101.72689407,-129.98499894,100.29268738,-51.76004415,-84.60599193,-176.35453816
213.49253056,183.89556687,242.92044568,-2.06199871,0.81811592,-2.39986616

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450251/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.27979

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.12021

>  <SCORE.INTRA.DIHEDRAL>
0.191415

>  <SCORE.INTRA.DIHEDRAL.0>
3.45705

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.21592

>  <SCORE.INTRA.VDW.0>
-3.69029

>  <SCORE.INTRA.norm>
-0.115563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.306659

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014143

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
131131  0  0  0  0  0  0  0  0999 V2000
  200.1845  201.6763  253.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1378  201.7387  255.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3725  202.5533  255.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7906  202.3057  255.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6020  202.3289  257.4722 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.1697  202.7768  257.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3515  202.0263  258.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8150  204.0700  257.5126 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4699  204.6133  257.7496 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.2809  205.0903  259.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5269  203.9598  260.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6531  203.2085  260.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8078  203.8501  260.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0861  205.7364  256.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2415  205.5234  255.8428 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8158  206.9183  256.7356 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5973  208.0909  255.8165 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.0650  207.8270  254.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3038  206.8640  253.6487 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0810  208.5525  255.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2186  207.9884  256.4204 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7887  209.6555  254.9377 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4188  210.2170  254.7080 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7997  210.7707  256.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4122  212.0409  256.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5833  212.5516  257.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8279  211.7916  257.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3959  211.4462  253.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4442  211.9624  253.3282 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1512  211.9697  253.3709 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9422  213.1828  252.5213 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.6819  213.0142  251.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8124  211.9576  250.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5816  211.8112  249.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8357  210.8081  248.6596 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <CHROM.1>
176.26605122,-174.06937355,113.03894381,178.74600768,82.18935674,-58.15225995
108.49601218,-91.30429191,2.98513304,-72.46107294,68.10401871,1.48107791
65.15619919,63.77763309,69.52639166,-8.14740990,173.07213280,145.44565569
-69.30481236,-5.48070717,-178.61430728,178.91846555,-125.57917348,-79.70965626
-17.26096116,99.06119493,-68.76280024,-21.93575964,64.12455173,-159.06448060
-56.77876316,118.16902040,110.91551770,179.00503264,117.99972644,64.98485415
-1.21879431,67.56594203,133.43260559,-64.38891699,-3.44721126,64.44837477
-178.62320069,-53.53918046,-163.12725934,66.61771066,74.30184133,-115.37833917
-171.26234262,-24.95389589,-46.88045610,-157.86927608,53.29812295,62.91651207
72.66444197,-172.38157917,-127.84995762,-175.64287785,-178.40887953,130.06038301
132.91861517,145.20760966,192.69934692,210.20420069,254.67560755,-0.98010859
0.98298108,-0.90742106

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450253/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.40683

>  <SCORE.INTER>
59.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
54

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.582353

>  <SCORE.INTRA>
-51.9932

>  <SCORE.INTRA.DIHEDRAL>
-18.718

>  <SCORE.INTRA.DIHEDRAL.0>
55.8607

>  <SCORE.INTRA.POLAR>
-4.09207

>  <SCORE.INTRA.POLAR.0>
-1.03058

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-28.7212

>  <SCORE.INTRA.VDW.0>
2.17351

>  <SCORE.INTRA.norm>
-0.509737

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
102

>  <SCORE.norm>
0.072616

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.454653

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
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  225.5517  173.1523  236.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1564  173.7873  241.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3740  174.9508  241.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1186  175.1025  242.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5820  174.0642  242.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2784  172.8634  242.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5428  172.6809  242.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5 33  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
91.91992549,-133.95002053,-142.67258574,103.95553087,1.78383287,220.11971895
174.79783410,240.91614900,-2.57056231,0.52585335,-0.05346129

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450254/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.76692

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.325

>  <SCORE.INTRA>
-7.63308

>  <SCORE.INTRA.DIHEDRAL>
-14.6015

>  <SCORE.INTRA.DIHEDRAL.0>
30.2378

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.332328

>  <SCORE.INTRA.VDW.0>
1.79047

>  <SCORE.INTRA.norm>
-0.238534

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0864662

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015163

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  193.7828  219.1132  251.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2874  218.8966  251.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6877  217.9351  252.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2013  217.7181  252.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5914  216.7445  253.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1005  216.5231  253.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4778  215.5531  254.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8992  215.3585  254.8968 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.3236  214.5035  255.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5833  213.9137  256.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8292  214.3301  255.8254 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.2343  213.6797  254.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5247  215.6894  256.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3040  216.3037  257.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.86740532,-179.41497548,-179.84297533,179.85984841,179.75667094,179.96257456
1.36635990,-63.67973132,65.75181933,199.55642996,216.16053687,254.40085930
-2.71872344,0.49431992,3.11559442

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450255/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.0835

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02857

>  <SCORE.INTRA>
-2.3165

>  <SCORE.INTRA.DIHEDRAL>
-4.98035

>  <SCORE.INTRA.DIHEDRAL.0>
5.70978

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.173668

>  <SCORE.INTRA.VDW.0>
0.221664

>  <SCORE.INTRA.norm>
-0.165465

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.863107

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.070206

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 68 71  0  0  0  0  0  0  0  0999 V2000
  215.8519  186.0839  242.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2074  187.4610  242.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2980  187.6387  240.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7101  187.4134  242.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8489  188.5171  242.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2949  188.5073  242.9033 P   0  0  1  0  0  0  0  0  0  0  0  0
  211.4736  189.9197  243.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6171  188.6747  241.4245 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7408  188.4972  243.6633 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0693  186.9050  243.5820 P   0  0  1  0  0  0  0  0  0  0  0  0
  208.0603  187.2556  244.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2299  187.3232  242.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3977  185.3128  243.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0575  184.3300  244.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2592  183.0512  244.3837 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.9386  183.1923  245.1384 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.1312  182.0376  244.5728 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.6567  181.9380  243.1229 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.9401  182.5894  243.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7946  180.5979  242.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9983  180.0140  241.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2824  178.7401  241.4901 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3138  178.4865  242.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0059  177.3209  242.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0169  177.4227  243.6428 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2758  178.6248  244.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6461  179.7952  243.9647 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6924  179.6539  243.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6921  176.0666  242.2592 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3308  180.8927  245.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2880  184.4185  244.8339 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6620  185.2128  246.0737 P   0  0  0  0  0  0  0  0  0  0  0  0
  204.5733  184.5556  246.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9450  185.6013  246.9390 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2469  186.6056  245.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9274  188.6268  242.8744 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.2159  189.9853  242.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4236  190.4372  243.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5530  190.6636  241.5947 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0431  191.9932  241.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0346  192.0491  240.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3346  193.3939  240.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4665  194.2947  240.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4919  193.4964  238.9834 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3088  192.6455  238.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5342  192.3906  240.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1623  191.1913  239.9589 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.6966  190.9422  241.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3611  191.4366  242.5696 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4451  190.2090  241.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7159  189.6016  240.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6859  188.6905  241.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3414  188.4743  242.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9656  189.2024  243.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0664  189.9899  243.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4890  187.4538  242.8339 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0998  188.3824  244.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1224  189.2618  240.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.8749  187.7879  241.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.7491  175.7536  242.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1016  175.8734  241.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.8989  180.1155  244.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.5889  186.0996  246.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0245  187.1274  245.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.2614  190.2471  240.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9049  193.8214  238.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.4805  187.2984  243.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.2121  188.2489  244.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  1  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 58  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  1  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 59  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  6  0  0  0
 17 18  1  0  0  0  0
 17 30  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
 36 37  1  1  0  0  0
 36 57  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 65  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 66  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 55  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 53 56  1  0  0  0  0
 54 55  2  0  0  0  0
 56 67  1  0  0  0  0
 57 68  1  0  0  0  0
M  END
>  <CHROM.1>
-168.67053781,-172.82711227,-169.31807188,123.11414398,-37.89956104,1.84186122
163.04098445,46.18622362,-170.83850597,167.75639371,-64.46834854,-136.40164433
-173.58079769,107.89210064,-59.50428560,-62.68796006,55.77006200,-68.43195971
94.30162194,-58.74035928,-110.91548980,171.69084720,-7.70245057,63.55530789
39.06815521,-174.67427279,170.86723609,-6.39392957,6.54984608,168.10861833
209.49827604,186.59754738,242.86636419,-1.06123120,-0.18005655,3.00684036

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450256/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.14611

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.498246

>  <SCORE.INTRA>
-23.2539

>  <SCORE.INTRA.DIHEDRAL>
-4.00625

>  <SCORE.INTRA.DIHEDRAL.0>
28.3018

>  <SCORE.INTRA.POLAR>
-3.06145

>  <SCORE.INTRA.POLAR.0>
-0.938549

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-10.8418

>  <SCORE.INTRA.VDW.0>
-4.26952

>  <SCORE.INTRA.norm>
-0.407963

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
57

>  <SCORE.norm>
0.0902826

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.095016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  207.4441  210.6624  260.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2428  210.9855  259.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8557  210.3540  258.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6767  209.3619  257.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8865  209.0359  258.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2597  209.6930  259.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4417  209.3619  260.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7060  210.6310  257.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1882  211.9364  257.9398 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.8603  212.2656  257.2317 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.4194  213.6277  257.8429 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.5143  214.7074  257.6850 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.8844  214.1850  258.1674 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.1496  212.9263  257.5535 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0514  215.1194  257.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2589  215.1957  256.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5590  215.0913  256.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1911  214.0841  257.2831 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8660  211.2565  257.4392 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5615  209.8988  261.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.4037  215.4228  256.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.6667  215.3962  256.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5192  213.4120  257.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.1833  210.4146  257.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  1  0  0  0
 11 12  1  0  0  0  0
 11 18  1  6  0  0  0
 12 13  1  0  0  0  0
 12 17  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <CHROM.1>
23.22759593,-0.05848496,-176.44749169,-61.21717340,61.76049927,56.72416130
-66.50091729,52.50328921,205.10568395,212.21142921,258.04570908,-0.76639689
-0.22268341,-0.24970046

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450257/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.42104

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-5.97896

>  <SCORE.INTRA.DIHEDRAL>
-6.58349

>  <SCORE.INTRA.DIHEDRAL.0>
8.04395

>  <SCORE.INTRA.POLAR>
-0.739159

>  <SCORE.INTRA.POLAR.0>
-0.0873078

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.174073

>  <SCORE.INTRA.VDW.0>
0.352273

>  <SCORE.INTRA.norm>
-0.314682

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.127423

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000585

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  224.8828  180.8953  245.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5382  179.5892  246.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2228  178.8326  247.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2463  179.2434  248.1217 F   0  0  0  0  0  0  0  0  0  0  0  0
  226.0187  177.2573  247.5279 S   0  0  1  0  0  0  0  0  0  0  0  0
  225.8783  176.9055  248.9815 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.9308  176.1364  246.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3156  175.6321  245.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4421  174.8348  244.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1686  174.5301  245.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7866  175.0251  246.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6583  175.8276  247.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2049  173.7070  244.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  1  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
158.92879869,104.61987594,224.62685398,176.93504923,246.59969668,0.83595241
-0.99352364,-0.21277267

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450274/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.01322

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.386783

>  <SCORE.INTRA.DIHEDRAL>
-0.0464403

>  <SCORE.INTRA.DIHEDRAL.0>
1.50657

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.363563

>  <SCORE.INTRA.VDW.0>
-0.891645

>  <SCORE.INTRA.norm>
-0.0297526

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.539478

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  204.1738  204.8402  247.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3575  204.8474  248.6935 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8884  206.2741  249.0430 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8569  207.1472  247.7579 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4118  206.0922  246.3676 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.5274  207.8209  247.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1089  208.9253  248.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7402  209.5010  247.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6298  208.4879  248.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3961  208.2858  249.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5025  208.7988  250.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3124  207.4542  250.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5974  206.0084  249.6428 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1093  204.7787  249.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9876  204.3618  249.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1141  204.1093  248.6066 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1796  207.2965  251.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9842  206.6567  250.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0050  203.1269  248.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  1  1  6  0  0  0
  2 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <CHROM.1>
68.21556682,-176.53137158,70.12300500,70.99390644,99.96357648,-179.30572036
201.21822442,206.68804414,248.53954569,-0.33137630,0.59730463,-0.47775421

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450275/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79298

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-4.60702

>  <SCORE.INTRA.DIHEDRAL>
1.26645

>  <SCORE.INTRA.DIHEDRAL.0>
1.42043

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.84024

>  <SCORE.INTRA.VDW.0>
0.226378

>  <SCORE.INTRA.norm>
-0.287939

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.362061

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008935

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  228.4647  181.5137  249.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6847  180.1530  250.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1784  178.7145  249.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3709  180.1126  251.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5602  180.3339  248.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3241  180.5109  249.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5090  181.4908  249.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7044  181.9175  247.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8775  181.5837  246.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7802  180.7647  247.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9614  180.4350  247.0638 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.2683  182.3670  245.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5248  181.3365  244.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.2377  183.3869  245.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5608  183.1964  245.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8133  182.4088  250.0497 C   0  0  1  0  0  0  0  0  0  0  0  0
  224.3232  183.8907  250.0688 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.2196  184.8936  249.6951 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.1321  184.7034  250.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.5149  183.4860  250.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1091  183.4357  250.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5014  182.4341  249.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2425  181.5896  248.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6069  181.5655  248.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2809  182.4379  249.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5021  180.8063  248.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2088  181.0175  248.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1714  182.1877  249.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7646  186.3430  249.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8137  186.4386  248.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7241  184.7592  248.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.9796  184.1684  251.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1895  184.0766  251.5459 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1649  184.4908  252.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.2292  179.5757  247.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.4050  186.1462  247.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.9596  185.3433  248.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.2120  184.5874  252.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16  7  1  6  0  0  0
 16 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  1  0  0  0
 18 19  1  0  0  0  0
 18 29  1  1  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 28  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 38  1  0  0  0  0
M  END
>  <CHROM.1>
-109.97357385,110.97307611,-128.20851336,33.01537733,95.76936322,59.09923346
172.52712062,58.33254281,-4.52142992,224.14810419,182.49085453,248.99375615
-0.30457007,-0.05699162,0.86651282

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450276/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.9837

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.305882

>  <SCORE.INTRA>
-3.4163

>  <SCORE.INTRA.DIHEDRAL>
-7.93892

>  <SCORE.INTRA.DIHEDRAL.0>
13.0015

>  <SCORE.INTRA.POLAR>
0.293351

>  <SCORE.INTRA.POLAR.0>
-0.960191

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.444234

>  <SCORE.INTRA.VDW.0>
-0.491305

>  <SCORE.INTRA.norm>
-0.100479

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.205403

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002783

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  205.2405  215.1812  245.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7070  215.5930  245.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8150  217.0919  245.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3170  217.7800  246.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0687  213.6592  245.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5925  213.2307  245.9376 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9261  213.5978  244.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1658  214.5459  244.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2839  212.8064  243.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4979  211.7685  246.1506 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.8792  213.0394  242.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6828  211.3079  245.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5127  211.5405  246.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.80495427,-179.87553793,118.77767445,63.68890851,-103.25665401,-81.90847908
-179.04224859,204.62754140,214.49765206,245.47436198,-0.56299487,0.65122545
2.72696598

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450277/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7494

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-0.650582

>  <SCORE.INTRA.DIHEDRAL>
0.694538

>  <SCORE.INTRA.DIHEDRAL.0>
1.99953

>  <SCORE.INTRA.POLAR>
-0.100722

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.655398

>  <SCORE.INTRA.VDW.0>
-0.455557

>  <SCORE.INTRA.norm>
-0.0650582

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
1.07494

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022645

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  213.3379  189.8158  248.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3630  191.0824  249.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3099  192.2218  248.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2315  192.1287  246.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1942  190.8301  246.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2491  189.6895  247.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2114  193.3359  245.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2287  194.5374  246.5309 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1504  195.6103  245.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0538  195.5473  244.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0417  194.2408  243.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1309  193.1627  244.6069 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.9205  194.0446  242.5154 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8074  195.1156  241.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8553  196.4105  242.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9916  196.6565  243.5476 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8503  197.6113  241.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9340  198.7613  241.7362 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6941  197.3562  239.9837 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5116  194.8227  240.3705 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0660  196.8500  246.3843 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5850  196.4063  239.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.6626  198.1316  239.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.5820  194.4329  240.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2582  194.3349  239.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.9799  197.5957  245.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3579  196.8519  247.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <CHROM.1>
-2.00823813,-178.13180336,67.09354156,-177.60247928,213.04020622,194.37410458
244.49504960,0.76632651,1.49151693,3.12087538

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450278/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12518

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-2.27482

>  <SCORE.INTRA.DIHEDRAL>
-0.127251

>  <SCORE.INTRA.DIHEDRAL.0>
1.12087

>  <SCORE.INTRA.POLAR>
-0.79845

>  <SCORE.INTRA.POLAR.0>
-0.0251096

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.503531

>  <SCORE.INTRA.VDW.0>
-0.861154

>  <SCORE.INTRA.norm>
-0.108325

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.339294

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002758

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  216.8061  187.6399  240.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1307  186.3231  240.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2522  186.1920  241.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9631  185.0074  241.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1125  184.7532  242.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5408  185.6810  243.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8406  186.8740  243.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7056  187.1199  242.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2176  187.7564  244.2399 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.6710  189.0094  244.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1253  189.6969  245.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6762  190.9914  245.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7639  191.6139  245.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2897  190.9378  244.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7443  189.6483  243.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9640  187.4372  244.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <CHROM.1>
-146.22413929,178.08275708,175.27120115,219.01681016,187.92759187,243.13826979
1.74491373,0.71965406,-2.57976679

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450279/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94969

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-2.45031

>  <SCORE.INTRA.DIHEDRAL>
-5.21253

>  <SCORE.INTRA.DIHEDRAL.0>
7.05248

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.155955

>  <SCORE.INTRA.VDW.0>
1.38534

>  <SCORE.INTRA.norm>
-0.163354

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.396646

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000375

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  190.9187  217.1547  252.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8707  218.2361  252.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1167  218.4097  253.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1984  217.5774  255.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3969  217.7960  256.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5822  218.6928  256.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5829  216.8148  257.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8569  216.9730  258.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0213  216.0801  259.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9122  215.0194  259.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6406  214.8475  258.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4872  215.7488  257.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2756  215.5249  256.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6958  219.1991  251.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8215  216.7860  254.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.8130  214.7205  256.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
178.83193833,177.80522677,179.95973953,189.14427171,217.02711247,255.96928808
-1.31670304,-0.79355624,2.16965931

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450280/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.21924

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-3.18076

>  <SCORE.INTRA.DIHEDRAL>
-3.86213

>  <SCORE.INTRA.DIHEDRAL.0>
3.88493

>  <SCORE.INTRA.POLAR>
-0.717739

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.19061

>  <SCORE.INTRA.VDW.0>
0.0843203

>  <SCORE.INTRA.norm>
-0.227197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.301374

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000235

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  213.8506  185.6380  246.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2955  184.5253  246.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2202  184.7741  247.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2950  183.7385  247.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1561  183.8666  248.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9418  185.0450  249.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8628  186.0951  249.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9899  185.9450  248.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7226  187.3930  249.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0080  187.3032  251.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8791  187.0035  252.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0421  187.6985  252.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9694  187.6554  253.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6037  188.7840  253.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3868  190.0063  252.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6529  191.1226  253.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9075  189.8070  251.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3092  188.6461  251.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8424  188.2699  249.9214 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1974  186.4574  254.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4683  186.0260  253.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1568  188.3536  251.3879 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5015  182.5606  247.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8740  186.6178  254.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.2050  185.8600  253.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.8029  188.7300  250.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.3433  182.6813  246.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <CHROM.1>
148.18559324,-0.19561520,27.57801890,33.29644475,171.94775497,177.34177421
211.85436821,186.78494546,250.45211213,-1.70662315,0.61783348,0.95091571

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450281/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.6552

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-1.7448

>  <SCORE.INTRA.DIHEDRAL>
0.444354

>  <SCORE.INTRA.DIHEDRAL.0>
2.53593

>  <SCORE.INTRA.POLAR>
-0.378492

>  <SCORE.INTRA.POLAR.0>
-0.762978

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.680101

>  <SCORE.INTRA.VDW.0>
2.10379

>  <SCORE.INTRA.norm>
-0.0758608

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.245878

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000759

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  221.1450  187.2186  241.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2501  188.4183  240.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6689  189.6362  241.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4708  188.7552  239.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7491  188.0763  241.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3552  187.7179  242.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9282  187.4187  242.5485 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3906  188.2596  242.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6947  187.1542  243.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <CHROM.1>
61.27476350,179.92024996,-65.79890468,219.47368172,188.17401732,241.31456749
-0.58702427,0.07964760,1.91940832

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450290/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.37554

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.2

>  <SCORE.INTRA>
-0.0244583

>  <SCORE.INTRA.DIHEDRAL>
0.0163243

>  <SCORE.INTRA.DIHEDRAL.0>
0.0172122

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0326205

>  <SCORE.INTRA.VDW.0>
1.24057

>  <SCORE.INTRA.norm>
-0.00349404

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
7

>  <SCORE.norm>
1.19651

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019496

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 46  0  0  0  0  0  0  0  0999 V2000
  191.4935  223.0635  248.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7142  222.6708  249.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6607  222.4379  251.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8775  222.1259  252.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8309  221.8825  253.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0488  221.7111  254.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9991  221.4341  255.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2200  221.3082  257.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1576  220.9337  258.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3777  220.8033  259.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3038  220.3642  260.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5298  220.2556  262.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4487  219.7827  263.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7033  219.7606  264.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6298  219.3123  265.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9167  219.4143  266.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7757  218.4099  267.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1333  218.4547  268.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0314  219.1167  268.6548 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5998  218.9079  270.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3543  217.6493  270.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6773  217.8659  269.6929 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.4431  218.9991  270.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6556  216.6849  269.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9531  215.3896  269.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2914  215.5311  267.7648 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0453  215.3220  266.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2059  215.0080  266.6977 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2931  215.4993  265.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2427  216.0521  264.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5204  216.3059  262.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5161  216.6774  261.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7902  216.8727  260.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7840  217.1997  259.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0611  217.4171  258.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0569  217.7469  257.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3437  217.8424  255.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3241  218.2552  254.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6276  218.2737  253.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6022  218.7061  252.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8778  218.8462  250.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8626  219.2279  249.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1370  219.3793  248.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0874  219.9017  247.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3555  220.0757  246.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3470  215.8931  267.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  CHG  1  22   1
M  END
>  <CHROM.1>
176.59320078,179.48030582,174.26611090,178.61608199,178.15055285,175.98601073
-179.81153923,177.31230059,179.05644485,178.58933860,176.24372261,-178.91507518
174.79987905,67.85440289,176.11988481,98.59671601,-68.74722907,57.32046112
87.35667494,146.96386148,-177.52030664,-172.45129096,177.67363286,-178.15859620
-179.12727352,179.85162970,175.03480234,176.54556718,176.81116097,179.17998028
-174.91275837,-177.87567304,-179.55846482,174.12042875,-178.97625353,191.39654860
218.86876717,259.87030331,0.94656567,1.45462412,-0.77736152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450291/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
25.6753

>  <SCORE.INTER>
40.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
35

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.897778

>  <SCORE.INTRA>
-14.7247

>  <SCORE.INTRA.DIHEDRAL>
-0.150109

>  <SCORE.INTRA.DIHEDRAL.0>
6.15939

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-14.6497

>  <SCORE.INTRA.VDW.0>
1.59076

>  <SCORE.INTRA.norm>
-0.327216

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
45

>  <SCORE.norm>
0.570562

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006730

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  182.8629  214.8351  255.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5089  215.5610  256.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8395  216.9200  256.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5272  217.5375  255.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8809  216.8109  254.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5469  215.4619  254.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9879  214.5604  253.1475 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  183.9696  219.2084  255.8320 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  182.4689  217.6430  258.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5940  217.2070  258.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9369  215.9545  258.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3661  214.9449  258.8969 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.3305  218.1039  260.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8307  219.2151  260.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.5005  217.6192  261.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.2964  218.1658  261.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-14.82193559,2.72323873,179.67700585,182.65591076,216.82955203,256.87467668
0.82724570,-0.96685518,-2.56781194

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450292/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.02612

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-4.37388

>  <SCORE.INTRA.DIHEDRAL>
-11.983

>  <SCORE.INTRA.DIHEDRAL.0>
12.8038

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.61761

>  <SCORE.INTRA.VDW.0>
-0.616368

>  <SCORE.INTRA.norm>
-0.291592

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.201742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 31  0  0  0  0  0  0  0  0999 V2000
  200.8883  205.6960  237.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6481  204.4617  236.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4665  203.3316  237.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2383  202.0918  237.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0357  200.9600  238.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8200  199.7254  238.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6096  198.5972  239.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5983  198.0579  239.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3997  196.9808  240.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4109  196.4658  241.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2155  195.3559  242.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0993  194.1756  242.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7935  193.0252  242.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5433  191.7472  242.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3343  191.2457  241.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0947  191.3718  240.1895 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2507  192.1158  240.4104 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0253  190.5244  240.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9021  191.4678  240.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9863  191.9427  239.1123 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.7377  192.7023  238.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8229  192.9553  237.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7661  193.8864  236.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6267  195.1825  237.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4715  196.1964  236.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5108  195.8930  236.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6855  194.5903  235.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8125  193.5947  236.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1408  192.7778  238.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9126  191.4510  240.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9341  192.2265  239.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.39250814,-179.21908211,-179.26962316,-179.14040752,-119.14674882,-178.37233968
122.30827052,-175.22367018,176.55059318,-56.33095531,99.61571097,89.94434798
91.28042838,75.37714250,171.10473818,-172.46723027,67.52584972,-70.81120975
-60.86233162,203.56313060,195.75421656,239.13178326,-2.38063916,1.22425673
-2.61067827

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450294/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
13.9564

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.772414

>  <SCORE.INTRA>
-8.44363

>  <SCORE.INTRA.DIHEDRAL>
2.96274

>  <SCORE.INTRA.DIHEDRAL.0>
5.64831

>  <SCORE.INTRA.POLAR>
-0.987225

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.56843

>  <SCORE.INTRA.VDW.0>
2.41144

>  <SCORE.INTRA.norm>
-0.29116

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.481254

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000079

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  188.3386  215.2892  263.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7478  215.5997  263.9481 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5784  214.4674  263.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1884  216.8158  263.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6630  218.1203  263.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5873  218.3970  265.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0995  219.6057  265.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6940  220.6309  264.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8220  220.3783  263.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2805  219.1749  262.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2558  219.3451  261.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8156  220.6277  261.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5339  221.2550  262.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6391  221.3772  260.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1963  222.7065  260.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0820  223.4092  258.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4072  222.7922  257.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8407  221.4710  257.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9531  220.7720  258.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9788  217.4677  266.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9972  216.5970  265.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
74.25610636,41.67859296,-18.19315056,-178.54312214,189.10349367,219.37317741
262.29095006,-0.68440053,1.37530272,-1.66129223

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450295/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.82346

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.576537

>  <SCORE.INTRA.DIHEDRAL>
0.408711

>  <SCORE.INTRA.DIHEDRAL.0>
1.16665

>  <SCORE.INTRA.POLAR>
0.00443288

>  <SCORE.INTRA.POLAR.0>
-0.946281

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.795964

>  <SCORE.INTRA.VDW.0>
0.353783

>  <SCORE.INTRA.norm>
-0.0288268

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.391173

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002695

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  182.9267  213.4043  254.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7684  214.9070  254.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3717  215.1222  254.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.9406  216.4004  254.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6590  217.3829  254.6894 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.4572  216.3911  254.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8496  217.3795  255.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.4828  217.2649  256.0223 N   0  0  0  0  0  0  0  0  0  0  0  0
  176.6382  216.2903  255.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.4415  216.1914  255.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.2004  215.4101  254.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6950  215.1495  254.5374 C   0  0  1  0  0  0  0  0  0  0  0  0
  179.1521  214.4969  253.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3376  213.1105  253.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7957  212.5358  251.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0639  213.3326  250.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8400  214.7140  250.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3973  215.2912  252.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5968  212.7274  249.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.5701  211.3652  249.5328 F   0  0  0  0  0  0  0  0  0  0  0  0
  179.8989  213.1228  248.4424 F   0  0  0  0  0  0  0  0  0  0  0  0
  181.8934  213.0737  249.3072 F   0  0  0  0  0  0  0  0  0  0  0  0
  176.8650  218.1319  257.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.5437  217.3722  258.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.2304  217.3550  258.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
  174.8755  216.5395  259.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.8374  215.7864  260.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.1624  215.8236  260.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.5103  216.6169  259.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.5109  214.8800  261.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.3596  214.0286  261.9914 O   0  0  0  0  0  0  0  0  0  0  0  0
  174.3129  214.9961  262.3917 N   0  0  0  0  0  0  0  0  0  0  0  0
  173.9489  213.9385  263.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.4701  214.5188  264.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
  172.4442  215.5389  264.4859 N   0  0  0  0  0  0  0  0  0  0  0  0
  172.7932  216.6046  263.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.2966  216.0423  262.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
  171.2114  215.4217  265.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  170.8946  214.5022  265.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
  170.3601  216.4044  264.6847 O   0  0  0  0  0  0  0  0  0  0  0  0
  169.0363  216.3301  265.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
  168.2353  217.4917  264.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5643  218.6203  256.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
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 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <CHROM.1>
-178.66422067,-3.54122122,149.84753612,-108.66855981,134.06386368,10.18477859
-122.92949223,162.56081738,177.99557840,-179.64709826,176.99692737,215.33251847
257.31053582,-0.81406567,0.59807813,0.93967022

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450296/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.08238

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.35814

>  <SCORE.INTRA>
-7.31762

>  <SCORE.INTRA.DIHEDRAL>
-16.4253

>  <SCORE.INTRA.DIHEDRAL.0>
24.1211

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.895046

>  <SCORE.INTRA.VDW.0>
-1.75898

>  <SCORE.INTRA.norm>
-0.170177

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.187962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022902

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  220.9902  176.5396  250.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2382  177.0373  250.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8370  177.9501  251.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3914  178.3514  252.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1227  178.4029  250.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8574  179.3128  251.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5646  177.8819  249.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9560  177.4772  248.1934 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <CHROM.1>
-0.03057456,179.97626446,223.28466739,177.83958348,250.42752252,2.86877809
0.49991735,0.99496670

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450297/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.4

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
3.63467e-06

>  <SCORE.INTRA.DIHEDRAL>
9.31051e-06

>  <SCORE.INTRA.DIHEDRAL.0>
5.13998e-08

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.02058e-06

>  <SCORE.INTRA.VDW.0>
2.01774

>  <SCORE.INTRA.norm>
4.54334e-07

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.925

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007637

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  192.8817  204.1980  244.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5014  203.9175  245.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5524  205.0882  246.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2101  204.9423  248.1867 P   0  0  0  0  0  0  0  0  0  0  0  0
  195.6188  204.8957  247.5782 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6111  206.9723  248.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0037  207.7238  249.5088 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.3676  207.7432  248.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1181  208.5304  247.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9903  207.9675  246.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3799  208.0129  247.0241 S   0  0  0  0  0  0  0  0  0  0  0  0
  192.2989  206.8558  249.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9824  206.4833  248.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0527  205.0917  248.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1866  204.1090  249.0381 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.2634  202.8013  248.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0011  202.5284  247.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8496  203.6155  246.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8698  204.8970  247.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8678  204.7964  249.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2568  204.6652  251.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3630  203.4971  251.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <CHROM.1>
178.99872458,76.39726606,-140.82736729,-175.71046690,-77.68901675,62.87736254
64.76651581,61.14370370,193.25884540,205.60625468,248.05445404,2.94810509
0.70288654,1.97590995

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450322/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.237

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.609091

>  <SCORE.INTRA>
-11.163

>  <SCORE.INTRA.DIHEDRAL>
-11.3947

>  <SCORE.INTRA.DIHEDRAL.0>
15.0517

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.46564

>  <SCORE.INTRA.VDW.0>
-1.30831

>  <SCORE.INTRA.norm>
-0.507409

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.101682

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.066995

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  204.4381  188.0716  249.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8647  188.2286  249.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6244  188.9555  250.0692 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9399  189.1107  249.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4859  188.4954  248.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7517  187.7862  247.7853 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4092  187.7162  248.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6047  187.1784  247.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0765  187.3219  245.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6317  188.5226  245.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2017  188.6040  243.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1615  187.5000  243.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5379  186.3254  243.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9891  186.2319  244.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7619  189.9514  250.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9061  191.4400  250.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5756  192.1982  250.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8810  192.1180  251.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
-94.02454187,148.74532179,-43.38686727,63.98330931,207.10518894,188.70084219
247.81457168,1.21428629,0.70535330,1.25377275

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450323/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.22334

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.522222

>  <SCORE.INTRA>
-0.17666

>  <SCORE.INTRA.DIHEDRAL>
0.217659

>  <SCORE.INTRA.DIHEDRAL.0>
3.97418

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.285489

>  <SCORE.INTRA.VDW.0>
-0.570328

>  <SCORE.INTRA.norm>
-0.00981442

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.512408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000768

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 42 44  0  0  0  0  0  0  0  0999 V2000
  215.1060  202.5531  244.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3558  202.6172  246.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9691  202.4866  246.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3424  202.3532  244.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1088  202.2246  243.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5102  202.2398  243.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3739  201.9576  242.3965 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.3160  200.4990  241.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0023  199.8034  242.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8094  199.0268  243.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5788  198.3882  243.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7412  198.1775  242.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8712  199.0231  241.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9310  199.9230  241.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6471  197.3061  242.4525 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0758  197.3722  243.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5259  198.0057  244.7285 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7508  198.6404  244.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1319  199.5056  245.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8803  196.7345  243.7412 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1215  202.8900  241.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0909  203.5126  240.9871 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1412  202.9388  240.3202 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2231  202.5040  247.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4991  203.3220  248.1585 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2510  201.5476  247.4498 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.4849  201.4282  248.6840 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.3128  200.4528  248.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3732  200.7885  247.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7664  200.0569  246.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4489  200.5827  245.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3640  198.7750  246.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4672  200.9344  249.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5917  199.7561  250.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2521  201.9052  250.2811 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9753  196.3563  242.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.4449  196.5301  242.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.8904  195.9451  244.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.9842  203.5167  239.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1389  200.8035  246.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.7048  198.2638  245.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1413  202.7963  249.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 28  1  6  0  0  0
 27 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 41  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 42  1  0  0  0  0
M  END
>  <CHROM.1>
43.73976216,113.70678229,29.01183829,-23.73379055,-92.19764537,-16.49426539
178.84293532,170.11640722,-55.41096595,-96.04862985,93.59579425,-97.02841303
-173.18557615,-3.76476754,212.10654580,200.58071906,244.87675082,-0.76740009
0.74000758,1.09561695

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450324/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.98959

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.468571

>  <SCORE.INTRA>
-7.41041

>  <SCORE.INTRA.DIHEDRAL>
8.88528

>  <SCORE.INTRA.DIHEDRAL.0>
10.5947

>  <SCORE.INTRA.POLAR>
-2.35333

>  <SCORE.INTRA.POLAR.0>
-0.586078

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.85173

>  <SCORE.INTRA.VDW.0>
-2.79052

>  <SCORE.INTRA.norm>
-0.211726

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.256846

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027301

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  186.3996  222.2459  256.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8947  222.1315  254.9405 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2868  221.7608  254.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0122  222.5046  253.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8916  222.9309  254.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4882  222.3323  252.6476 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8142  222.6708  251.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3800  222.2509  250.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7440  222.5232  249.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5474  223.2366  249.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9918  223.6819  250.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6249  223.4025  251.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2886  221.7319  252.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <CHROM.1>
-171.30246384,185.87756781,222.61916935,252.47102066,1.22354024,-0.43061741
1.57396175

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450325/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30314

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.0968614

>  <SCORE.INTRA.DIHEDRAL>
-0.341018

>  <SCORE.INTRA.DIHEDRAL.0>
0.552171

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0736474

>  <SCORE.INTRA.VDW.0>
-0.164042

>  <SCORE.INTRA.norm>
-0.00807178

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.525262

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003096

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  205.1830  193.4462  236.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6035  192.9231  236.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0756  192.4413  238.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5023  191.9226  238.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9615  191.4454  239.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3940  190.9479  239.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8610  190.4984  240.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3135  190.0634  240.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7975  189.6784  242.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2846  189.3817  242.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7962  189.1865  243.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3104  189.2724  243.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7734  190.7162  243.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6903  191.2828  242.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6065  191.1986  241.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4874  192.1031  241.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3851  192.3296  240.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2962  192.9492  239.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2543  193.3295  240.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9831  193.9348  240.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3949  194.0533  241.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2205  193.5693  242.5376 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.3571  193.1052  241.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4549  192.4850  242.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5345  192.3276  243.9354 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5071  193.5437  244.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0800  194.6093  241.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3821  194.3616  239.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1560  193.1773  238.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2881  193.6441  237.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-179.63733027,179.98371075,-179.13695020,178.83621838,-177.32565941,177.27262444
-174.10997924,172.20652588,-164.47947999,80.66801314,-79.48388246,-89.09651940
-167.74401503,-42.61610810,116.83201284,212.66567702,192.13039636,240.80200572
2.64801418,-0.22266401,-0.83046019

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450326/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.4007

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.68

>  <SCORE.INTRA>
-5.9993

>  <SCORE.INTRA.DIHEDRAL>
5.2437

>  <SCORE.INTRA.DIHEDRAL.0>
7.78602

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.62115

>  <SCORE.INTRA.VDW.0>
3.9126

>  <SCORE.INTRA.norm>
-0.199977

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.480023

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000540

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 55 55  0  0  0  0  0  0  0  0999 V2000
  217.8397  179.7174  251.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5379  178.9999  251.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9099  177.5968  252.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8992  179.8170  252.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5286  178.9146  250.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3716  179.3665  250.6318 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.0104  178.1989  249.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1779  178.0064  248.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8825  177.1790  247.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2918  177.7064  246.6958 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.6899  176.6524  245.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9294  176.6600  244.5665 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.3064  176.5455  245.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6506  175.2852  246.1824 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.6655  173.9072  245.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5951  172.9660  245.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8571  173.2379  246.7233 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.0877  174.8115  246.6124 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.8570  175.5483  246.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.2732  175.6971  247.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7031  175.8592  248.6203 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.7855  176.6961  248.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3123  177.1963  247.8008 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.4367  176.9178  250.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3416  177.5497  251.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7790  175.5533  250.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6929  177.7869  250.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6845  172.5056  247.9957 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8148  172.5526  248.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8762  173.0108  248.3933 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.7824  171.9152  250.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6651  172.5640  251.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3779  170.4193  250.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0750  171.9092  251.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7966  175.4742  243.6658 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.6273  175.3972  242.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5059  176.2379  242.3513 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4033  174.1809  241.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3633  174.0900  240.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5083  172.8758  242.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9665  174.2979  241.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3111  179.0805  246.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7275  179.9438  244.8004 Si  0  0  0  0  0  0  0  0  0  0  0  0
  216.3288  179.0381  242.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6011  177.6673  242.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4245  179.9058  241.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6451  178.8279  241.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6848  180.5271  245.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0686  181.6745  244.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7664  179.2942  245.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8107  181.1178  246.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6341  181.9221  244.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9737  182.6145  243.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5365  182.8572  245.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1312  181.7949  244.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 14 13  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 48  1  0  0  0  0
 43 52  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 44 47  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
 52 55  1  0  0  0  0
M  END
>  <CHROM.1>
-123.17390928,179.18296271,179.42327668,-55.46852132,-178.44976117,175.52517432
-71.31145922,62.89121269,60.86376565,168.80783356,59.39297736,173.84565876
-58.40153239,179.13284909,-1.70725584,-61.76947092,-8.77849272,-58.10445147
2.79309137,-178.58379064,-25.58240899,43.03923229,162.55684190,-176.48361845
219.69812675,176.94579539,246.74302051,2.95028508,0.63792503,-1.86181454

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450327/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.6797

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.534545

>  <SCORE.INTRA>
-25.7203

>  <SCORE.INTRA.DIHEDRAL>
-41.1625

>  <SCORE.INTRA.DIHEDRAL.0>
45.8738

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.13907

>  <SCORE.INTRA.VDW.0>
-0.683796

>  <SCORE.INTRA.norm>
-0.467642

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
55

>  <SCORE.norm>
0.0669036

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.068286

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  185.1512  214.9369  256.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7352  214.4593  257.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0867  214.6129  255.7552 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0258  214.6919  254.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7406  214.7194  253.5769 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4185  214.6998  255.3528 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.4091  216.0063  254.5644 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.1009  215.1866  253.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1699  214.4293  253.1964 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3547  214.0021  251.9004 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.3972  214.5152  251.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5595  215.2592  251.9516 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3229  215.9055  251.5753 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.1983  214.2512  249.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0777  213.4138  249.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9352  213.0403  247.7442 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.8733  213.5441  247.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9613  214.4169  247.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1345  214.7811  248.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3150  216.8700  251.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.5306  215.4556  252.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
156.51149802,-82.70704930,-1.39554415,52.68528107,186.09420265,214.68307910
252.39587194,-1.91554067,-0.00417346,-1.71748773

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450328/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.58176

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-3.81824

>  <SCORE.INTRA.DIHEDRAL>
0.527331

>  <SCORE.INTRA.DIHEDRAL.0>
5.0157

>  <SCORE.INTRA.POLAR>
-0.999929

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.682144

>  <SCORE.INTRA.VDW.0>
-1.51201

>  <SCORE.INTRA.norm>
-0.20096

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.293777

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000287

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  211.7356  193.1982  248.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2324  192.2885  249.5625 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4899  192.8410  250.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9990  191.9006  252.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6173  190.5820  251.8724 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4281  189.9741  250.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8881  190.9616  249.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8586  189.7447  252.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8236  189.0457  253.4343 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0725  188.1294  254.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2862  187.8907  254.9137 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.3133  188.6137  254.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1292  189.5576  253.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6394  188.3445  255.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7930  187.3767  256.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0351  187.1394  256.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1430  187.8644  256.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0339  188.8145  255.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7923  189.0468  254.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3313  187.6475  256.7917 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.9521  187.3082  254.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6559  187.4622  254.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5748  186.7396  254.7742 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.7881  185.8015  255.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0275  185.5494  256.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1119  186.3122  255.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
78.64907677,-0.41365130,0.07920577,212.35379164,188.90087511,253.76018877
-2.19077514,0.18980131,2.30971650

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450329/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86075

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-1.53925

>  <SCORE.INTRA.DIHEDRAL>
-1.25907

>  <SCORE.INTRA.DIHEDRAL.0>
1.74039

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.909713

>  <SCORE.INTRA.VDW.0>
0.15951

>  <SCORE.INTRA.norm>
-0.0592019

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.263875

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017611

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  200.6442  213.6101  255.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3069  212.9931  255.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3128  213.0444  254.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0420  212.5315  254.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7448  211.8840  256.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7584  211.8109  257.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0213  212.3730  256.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3933  211.3581  256.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0283  211.0092  257.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4048  210.5047  257.7804 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.1399  210.7645  256.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9182  210.5454  255.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8552  210.8015  254.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8454  211.2369  253.5131 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0643  211.4190  254.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2702  211.2051  255.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1046  211.7529  253.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7230  212.4027  252.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1509  213.8120  252.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7963  214.8257  252.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8817  213.8332  252.7923 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2258  215.0676  253.2574 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.0990  215.7915  254.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8061  215.3439  255.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2794  213.9007  255.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9612  213.9177  255.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8015  213.4410  255.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5798  213.9771  255.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5319  214.9547  254.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6820  215.2921  253.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9040  214.7199  253.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4166  212.9483  252.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 32  1  0  0  0  0
 22 21  1  1  0  0  0
 22 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-164.85474505,25.13326658,67.74889140,104.30948850,-56.00964739,193.90758700
212.82551408,254.94701243,-0.28231974,0.03785053,-0.80121263

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450354/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.82785

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-5.57215

>  <SCORE.INTRA.DIHEDRAL>
-6.75889

>  <SCORE.INTRA.DIHEDRAL.0>
10.8598

>  <SCORE.INTRA.POLAR>
-0.771561

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.430598

>  <SCORE.INTRA.VDW.0>
-3.70224

>  <SCORE.INTRA.norm>
-0.179747

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.155737

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000042

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  213.0071  198.0105  253.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5013  196.6392  252.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5949  195.6673  252.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9762  194.3549  252.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2310  193.2921  252.0172 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0620  192.2447  251.7148 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.2995  192.6800  251.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3219  194.0264  252.1065 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3493  194.9963  252.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7187  194.6932  252.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6880  195.6798  252.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3051  196.9725  252.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9491  197.2796  252.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9550  196.3195  252.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6676  191.6715  251.4151 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.9075  191.8793  249.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2567  193.3410  249.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4208  193.7027  249.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1570  194.3188  249.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3033  195.7062  249.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0312  196.3058  249.1248 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0929  195.2634  249.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7718  194.0603  249.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6121  195.3865  248.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7457  197.7203  249.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6772  198.6347  248.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4431  200.0147  248.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2358  200.5077  249.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2740  199.6098  249.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5401  198.2320  249.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1327  201.8686  249.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9154  202.4185  248.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5898  196.4631  249.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
89.52722864,63.19408842,99.48623322,168.90785808,26.72589884,134.55584673
214.42718918,195.91773739,250.60504939,1.85775165,0.07098948,-0.26254357

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450355/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.07908

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-6.32092

>  <SCORE.INTRA.DIHEDRAL>
1.65841

>  <SCORE.INTRA.DIHEDRAL.0>
9.90809

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.15013

>  <SCORE.INTRA.VDW.0>
1.30081

>  <SCORE.INTRA.norm>
-0.191543

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.153911

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000065

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 34  0  0  0  0  0  0  0  0999 V2000
  220.5987  186.5070  243.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7051  185.5414  243.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0246  186.0985  243.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0470  185.2126  243.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0974  185.5516  242.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0632  184.6228  241.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9873  183.3242  242.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0181  182.9967  243.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0943  183.9563  243.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5365  183.6538  245.2199 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.8894  184.7849  246.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9859  185.3285  247.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7018  184.8076  247.0521 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2873  183.7293  246.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1232  183.1618  245.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7774  181.8402  244.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5811  181.2404  244.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4878  181.1785  245.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4256  182.2375  245.4745 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.9033  183.2001  246.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0779  181.6316  245.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9811  181.9145  244.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7206  181.3926  245.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5488  180.5849  246.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6277  180.2880  247.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8905  180.8072  246.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9903  179.9544  246.7604 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.2716  186.4907  247.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3155  185.2924  246.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4985  185.7133  245.9293 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.0710  185.1569  247.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  1  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 29 30  3  0  0  0  0
M  END
>  <CHROM.1>
177.18965004,128.33613636,-42.33026384,-119.33873618,221.12404915,183.29022169
245.20580645,0.07587502,0.49230753,0.93519300

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450356/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39814

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-3.00186

>  <SCORE.INTRA.DIHEDRAL>
0.404778

>  <SCORE.INTRA.DIHEDRAL.0>
4.01706

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.20425

>  <SCORE.INTRA.VDW.0>
-0.703353

>  <SCORE.INTRA.norm>
-0.100062

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.213271

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000195

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  209.0241  201.3717  235.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6228  202.5319  237.1847 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.1678  202.4178  237.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.3666  202.0103  238.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2153  203.8448  236.5035 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6465  205.0579  236.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5229  205.9182  235.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9073  207.1659  235.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3754  207.5798  236.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4707  206.7450  238.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1124  205.4799  237.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2204  204.6892  239.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1158  204.0683  239.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2521  203.2485  240.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4974  203.0773  241.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6041  203.7207  241.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4668  204.5008  239.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
147.37568359,-138.39536708,-110.15087654,208.35923861,204.09484793,238.04465509
-1.02026204,1.36534596,-1.34684305

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450357/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.04612

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-1.35388

>  <SCORE.INTRA.DIHEDRAL>
-0.527949

>  <SCORE.INTRA.DIHEDRAL.0>
8.07613

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08991

>  <SCORE.INTRA.VDW.0>
-2.54723

>  <SCORE.INTRA.norm>
-0.0796402

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.414477

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002099

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 36  0  0  0  0  0  0  0  0999 V2000
  190.8098  215.8150  253.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7014  214.7784  253.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0243  213.6271  254.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9249  212.5730  254.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2514  211.4373  255.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0757  211.8923  256.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4316  210.7660  257.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2341  211.2163  258.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6575  210.1142  259.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4460  210.5552  261.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8941  209.4577  262.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6773  209.8863  263.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1383  208.7968  264.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9165  209.2156  266.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3905  208.1421  267.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1568  208.5894  268.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9193  209.7620  268.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6965  210.3185  270.0977 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.7500  211.3878  270.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2566  210.8741  270.2381 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.7421  211.6366  268.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6082  212.4760  269.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8238  213.8648  270.0516 P   0  0  1  0  0  0  0  0  0  0  0  0
  186.6315  214.7245  270.2318 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4733  213.3879  271.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0692  214.5976  269.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.7388  214.9945  267.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8436  215.6282  267.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9621  214.6136  266.6899 N   0  3  0  0  0  0  0  0  0  0  0  0
  191.6954  214.1060  267.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3677  213.4318  265.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9970  215.2763  265.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3752  209.7506  270.4764 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1880  210.0502  271.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8545  211.1277  271.4988 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.3170  208.8234  271.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9451  212.6452  271.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  1  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
M  CHG  1  29   1
M  END
>  <CHROM.1>
-179.06380628,-179.33533216,72.48105160,-178.76494413,-179.10691076,-177.11660330
-179.33578350,-179.01750040,-179.61348491,-179.39950640,-179.66195210,-179.23240682
179.96899350,-62.47979433,175.94203003,167.97815573,-40.90522808,-162.17778027
157.38329051,74.69811989,176.24137514,-47.92351539,67.05964142,-176.35011912
67.83554064,-62.44393087,-3.93501666,189.35382933,211.97970928,265.28699473
-0.31583323,1.49588426,0.37574738

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450358/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
24.2741

>  <SCORE.INTER>
31.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
26

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.872222

>  <SCORE.INTRA>
-7.12588

>  <SCORE.INTRA.DIHEDRAL>
-0.141355

>  <SCORE.INTRA.DIHEDRAL.0>
8.49668

>  <SCORE.INTRA.POLAR>
-0.997397

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.66405

>  <SCORE.INTRA.VDW.0>
0.425237

>  <SCORE.INTRA.norm>
-0.197941

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.674281

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.021923

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  205.9073  204.8672  258.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5107  205.2538  258.9614 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.7169  206.2472  260.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8545  207.0177  260.9162 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6161  205.7811  257.8879 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2967  204.8043  256.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2626  203.7052  257.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0263  204.1969  257.8319 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3925  205.1264  258.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3293  206.2650  258.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1068  204.8087  256.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7414  205.1663  257.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7926  204.1333  257.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4908  204.4069  257.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1179  205.7153  258.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0474  206.7611  258.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6620  208.0729  258.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5724  209.1238  258.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8770  208.8861  258.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2711  207.5921  257.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3775  206.5002  257.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  3  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
63.50551547,172.37708610,-80.10396415,200.62527583,205.89366136,258.19492688
0.10359795,0.16180232,-2.75065441

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450359/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07788

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.322119

>  <SCORE.INTRA.DIHEDRAL>
0.0101148

>  <SCORE.INTRA.DIHEDRAL.0>
0.766624

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.327177

>  <SCORE.INTRA.VDW.0>
0.0498426

>  <SCORE.INTRA.norm>
-0.015339

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.384661

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.037638

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  198.2156  203.9665  248.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6888  204.3167  248.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9166  205.3538  249.3470 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1930  205.1292  250.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2959  203.9632  251.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6139  204.1210  252.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8311  205.3842  253.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7258  206.5399  252.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3908  206.4022  251.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2140  207.3689  250.2457 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9338  206.7075  249.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6955  207.4255  247.5818 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.3592  209.0962  247.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8589  209.1711  248.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6223  209.3518  247.1127 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2804  208.8962  249.3505 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5745  209.1131  249.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8457  208.7194  251.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1257  208.8980  251.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1198  209.5213  250.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8376  209.9571  249.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5707  209.7403  249.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4836  208.3214  253.2659 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.6013  208.4778  249.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
92.07785799,-161.89834965,66.78115432,93.49942669,-177.06875727,201.92638257
207.34947201,250.13771879,3.08065064,0.63762546,2.14931423

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450360/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.71115

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-4.68885

>  <SCORE.INTRA.DIHEDRAL>
-1.83412

>  <SCORE.INTRA.DIHEDRAL.0>
5.76647

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.371784

>  <SCORE.INTRA.VDW.0>
-1.94997

>  <SCORE.INTRA.norm>
-0.203863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.248311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  219.0815  175.2205  252.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1150  176.6031  252.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1028  176.4534  250.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8518  177.3754  252.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2879  177.3661  252.7403 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5909  177.0185  252.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9689  176.0085  251.9623 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5197  177.8942  253.0509 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3362  179.0959  253.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2348  179.5667  253.9981 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6355  179.8171  254.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8005  180.9493  253.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.9223  180.7045  251.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4040  181.7119  251.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5008  181.6215  249.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1395  180.5162  249.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.6666  179.5027  249.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5545  179.5994  251.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2694  180.4284  247.6385 N   0  3  0  0  0  0  0  0  0  0  0  0
  223.7818  181.3440  246.9605 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.8610  179.4449  247.1714 O   0  5  0  0  0  0  0  0  0  0  0  0
  220.1330  178.2381  253.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.4758  177.6081  252.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <CHROM.1>
61.94665376,107.07471264,-62.60227598,148.45510448,222.32924444,178.93033866
251.35841679,2.64107428,0.76681919,1.44932669

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450361/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.169

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-0.230997

>  <SCORE.INTRA.DIHEDRAL>
0.383334

>  <SCORE.INTRA.DIHEDRAL.0>
3.61186

>  <SCORE.INTRA.POLAR>
0.178211

>  <SCORE.INTRA.POLAR.0>
-0.178211

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.02858

>  <SCORE.INTRA.VDW.0>
1.2139

>  <SCORE.INTRA.norm>
-0.0109999

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.436619

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  202.2277  197.6360  245.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2873  197.2716  246.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0637  196.4091  247.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7895  195.9059  247.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7326  196.2639  246.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9417  197.1227  245.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7528  197.5507  244.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6393  196.9531  243.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5210  197.6390  242.5585 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6153  195.5792  243.5226 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3320  194.8983  242.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6817  195.0906  241.0761 P   0  0  1  0  0  0  0  0  0  0  0  0
  200.6140  194.0071  240.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2346  196.4752  240.3447 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6367  195.8925  248.7389 I   0  0  0  0  0  0  0  0  0  0  0  0
  200.0711  195.0577  244.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9219  195.4501  241.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9720  197.1711  240.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  1  0  0  0
 14 18  1  0  0  0  0
M  END
>  <CHROM.1>
77.12822122,-126.01642701,69.37635823,159.33626680,46.65355996,202.20488834
196.08884699,245.59004751,0.89245075,-0.57986975,1.11692967

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450378/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.42704

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-1.97296

>  <SCORE.INTRA.DIHEDRAL>
2.98601

>  <SCORE.INTRA.DIHEDRAL.0>
3.58693

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0659604

>  <SCORE.INTRA.VDW.0>
-1.98744

>  <SCORE.INTRA.norm>
-0.13153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.495136

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004826

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  213.3895  189.0244  246.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7209  190.3604  246.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4944  190.4885  244.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4414  190.5486  246.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3376  189.7015  246.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1763  189.8904  247.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0772  190.9150  248.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2044  191.7398  248.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3519  191.5794  247.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8636  191.0615  249.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1168  189.9861  249.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9520  190.2116  250.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5260  191.5066  250.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2615  192.5787  250.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3979  192.3635  249.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7775  194.1852  250.8291 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.5883  188.3231  249.7539 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-63.44996371,37.74611193,208.71346775,190.89926441,248.77282983,0.29553392
-0.62203333,3.13764795

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450379/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.3823

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.0176963

>  <SCORE.INTRA.DIHEDRAL>
0.00235026

>  <SCORE.INTRA.DIHEDRAL.0>
2.6714

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0188714

>  <SCORE.INTRA.VDW.0>
-0.253461

>  <SCORE.INTRA.norm>
-0.00104096

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.434253

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005658

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  198.6144  211.9882  244.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6866  213.5396  244.4191 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6752  213.9893  243.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3193  213.2989  243.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8100  213.5337  245.0302 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.9093  213.8519  246.1697 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.3501  214.1894  245.7612 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6315  213.7320  246.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7517  213.4246  245.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1188  214.1123  244.3220 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.7207  214.1352  243.0245 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3266  215.1724  242.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6212  214.9916  241.2066 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.7905  216.5587  242.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0624  217.0644  243.7797 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.8660  218.1492  244.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9793  217.6878  245.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2938  216.7332  246.7462 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  198.7454  217.6060  243.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5758  217.2484  244.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8950  217.8157  245.9168 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.2086  214.9620  246.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9819  214.3186  247.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4229  213.1783  247.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7625  212.5329  245.6869 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.4032  212.4094  244.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4034  211.5673  245.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0665  212.2869  247.0891 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.3263  212.5394  247.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1517  211.5032  247.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2973  211.0620  245.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6058  213.2669  242.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3307  211.4136  247.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  6  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 30 33  1  0  0  0  0
M  END
>  <CHROM.1>
79.48327031,-109.26863891,-72.13062578,158.37500318,-83.31357015,138.82689524
-60.07385411,57.01055602,-62.41845556,197.63201733,214.61653619,245.22261513
-2.94780335,0.55963059,0.73697661

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450381/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.41497

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-6.98503

>  <SCORE.INTRA.DIHEDRAL>
2.49984

>  <SCORE.INTRA.DIHEDRAL.0>
3.15235

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.23495

>  <SCORE.INTRA.VDW.0>
1.19663

>  <SCORE.INTRA.norm>
-0.225323

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.206935

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000871

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  227.2039  182.6322  241.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.1292  183.6069  242.3679 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.9642  183.0707  243.8229 C   0  0  2  0  0  0  0  0  0  0  0  0
  227.3237  184.2654  244.6439 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.2500  185.2988  244.0960 C   0  0  2  0  0  0  0  0  0  0  0  0
  228.7636  184.4638  242.5997 S   0  0  0  0  0  0  0  0  0  0  0  0
  229.7952  183.4957  242.9002 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.9367  185.4304  241.5274 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.9768  185.2633  245.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8976  184.2575  245.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7219  183.4844  246.7810 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.7698  181.7483  244.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2595  180.6375  243.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.0357  181.8594  244.5001 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.1049  184.7270  242.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8105  185.7044  243.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.8263  185.6328  243.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7342  186.9178  244.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6571  187.7017  243.8259 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.3027  186.9481  242.9467 N   0  0  0  0  0  0  0  0  0  0  0  0
  229.4690  182.7435  244.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  1  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
175.64663003,-97.72355792,-13.95864196,-90.42714024,227.46667657,184.31831576
243.62487701,-0.33849470,0.99752936,-1.25720620

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450382/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.7485

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-5.6515

>  <SCORE.INTRA.DIHEDRAL>
-1.74479

>  <SCORE.INTRA.DIHEDRAL.0>
5.92668

>  <SCORE.INTRA.POLAR>
-0.269332

>  <SCORE.INTRA.POLAR.0>
-0.0238133

>  <SCORE.INTRA.REPUL>
-0.243562

>  <SCORE.INTRA.REPUL.0>
0.243562

>  <SCORE.INTRA.VDW>
-2.64557

>  <SCORE.INTRA.VDW.0>
0.754854

>  <SCORE.INTRA.norm>
-0.282575

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.137425

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000521

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  196.3202  211.1332  256.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2724  212.6041  257.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9194  213.5360  256.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5370  214.7939  256.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6761  214.6776  257.7299 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5732  213.3292  257.9728 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8490  212.9773  259.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5297  211.7944  259.6734 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0925  212.1494  260.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3627  213.4754  261.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2161  213.9668  259.8881 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.9229  214.4593  259.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7214  215.9554  259.1126 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1898  216.8398  260.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4421  216.4738  261.4329 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7516  217.1683  262.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8999  216.9515  263.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1259  217.6162  264.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2117  218.4666  265.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0741  218.6632  263.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8511  218.0112  262.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3948  216.2762  257.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0574  214.0949  262.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7194  214.9762  262.9501 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8909  213.6013  262.9238 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2287  212.5237  262.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0111  212.4024  262.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0824  211.5611  261.7370 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4583  210.6115  262.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9941  216.1220  256.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3254  216.0032  257.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3580  214.2309  263.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 28  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-3.89638410,-123.58330763,-48.33041439,-59.48879227,-55.23202356,179.37206766
171.20447691,193.99230151,214.56245785,260.58211714,0.52218123,-1.08324063
-3.04477631

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450383/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.30027

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-6.09973

>  <SCORE.INTRA.DIHEDRAL>
-2.66555

>  <SCORE.INTRA.DIHEDRAL.0>
6.09816

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.36696

>  <SCORE.INTRA.VDW.0>
-1.80705

>  <SCORE.INTRA.norm>
-0.203324

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.176676

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  203.7903  195.4823  247.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7502  195.3601  246.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0710  195.6443  246.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5366  195.2083  245.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6774  195.2454  244.6233 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4286  194.7008  244.3986 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2948  194.8862  245.1755 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3409  194.3117  243.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8886  196.1874  247.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5065  196.2012  248.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4014  196.9457  247.0049 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.8590  197.9505  245.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6771  198.0735  244.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2880  198.8655  243.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0675  199.5657  243.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2712  199.4606  244.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6608  198.6659  245.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6003  200.3783  242.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7094  200.5760  241.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4337  199.6410  241.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1211  201.7833  242.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6810  194.0731  245.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <CHROM.1>
15.23515622,46.01706960,-141.46988465,-11.81776191,206.57709605,197.33615741
244.90199917,1.80314432,0.84128810,2.25516394

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450384/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.85454

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-1.54546

>  <SCORE.INTRA.DIHEDRAL>
-1.70212

>  <SCORE.INTRA.DIHEDRAL.0>
7.88559

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.694399

>  <SCORE.INTRA.VDW.0>
0.211177

>  <SCORE.INTRA.norm>
-0.0735934

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.374026

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000462

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  216.1652  179.9459  237.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8135  181.0583  238.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1515  180.9377  238.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8499  179.9957  237.9250 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7167  182.1516  238.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9978  183.0168  239.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9481  183.9089  240.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2247  183.5211  239.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3866  184.0379  239.9108 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.5457  183.3844  239.4528 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.4355  182.3367  238.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0924  181.8086  238.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0073  181.0675  237.2949 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0615  182.3980  238.9432 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.6562  181.5883  238.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6247  180.1376  238.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4266  179.1357  237.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4224  177.7892  238.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6259  177.4333  239.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8284  178.4212  240.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8289  179.7700  239.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5303  185.0568  240.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1831  185.3218  241.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8131  186.4573  241.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7706  187.3588  242.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1116  187.1245  241.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4820  185.9873  241.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1509  186.7426  242.1608 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-2.09357306,15.16233583,1.46120753,122.28350917,109.51051957,219.81992476
182.61980922,239.61141018,0.87981461,0.11559896,-2.62866427

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450385/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.91626

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-1.48374

>  <SCORE.INTRA.DIHEDRAL>
-4.24894

>  <SCORE.INTRA.DIHEDRAL.0>
6.50994

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.640734

>  <SCORE.INTRA.VDW.0>
-1.03548

>  <SCORE.INTRA.norm>
-0.0529906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.318438

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001341

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  204.5548  213.4698  268.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3910  213.6215  267.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1428  214.4716  266.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4630  212.7428  267.2677 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3938  212.8537  266.1702 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.2982  214.0465  266.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1502  213.9634  264.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5875  214.9490  263.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5377  215.9209  263.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2116  217.0844  262.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8780  217.2853  262.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8890  216.2458  262.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2292  215.0060  263.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3093  213.7459  263.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2227  213.4971  263.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1832  212.5054  263.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2828  211.2173  263.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6194  210.5752  263.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7925  209.3671  263.6921 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7169  211.3454  264.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6825  212.6445  264.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0991  210.5106  263.9404 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2059  209.2239  264.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6581  216.4407  262.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5526  216.6335  263.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7124  218.4814  261.9713 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5345  219.2515  262.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3290  217.8610  262.8552 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2953  219.2626  263.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6222  212.0562  268.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 30  1  0  0  0  0
  5  4  1  1  0  0  0
  5 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
71.74316727,-139.60735117,-148.68905614,-115.66398209,-168.99422198,206.58883876
214.31699451,264.19071657,-2.22076491,-0.68420711,-0.75916757

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450387/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.64657

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.358621

>  <SCORE.INTRA>
-1.75343

>  <SCORE.INTRA.DIHEDRAL>
1.59391

>  <SCORE.INTRA.DIHEDRAL.0>
7.94095

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.55038

>  <SCORE.INTRA.VDW.0>
3.73556

>  <SCORE.INTRA.norm>
-0.060463

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.298158

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000025

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  195.0616  219.1795  255.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8369  219.7303  256.4867 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5080  221.1168  256.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4109  221.9387  255.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0850  223.2957  255.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8474  223.8649  256.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9355  223.0738  257.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2618  221.7135  257.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3300  220.9990  259.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6323  219.7322  258.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8901  218.9817  257.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1336  217.6629  257.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1628  216.8902  259.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9770  217.5008  260.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7058  218.9618  260.3147 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.7289  219.5686  261.1812 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3727  215.5367  258.8930 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.4726  220.5322  261.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6295  219.5703  260.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.6359  215.0286  258.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.2991  215.2820  258.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <CHROM.1>
-64.90183922,61.42393260,194.72757636,219.92423064,257.93974100,-2.83271991
-1.39133653,1.37050655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450388/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.8822

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-0.517797

>  <SCORE.INTRA.DIHEDRAL>
-0.0127519

>  <SCORE.INTRA.DIHEDRAL.0>
0.54353

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.511421

>  <SCORE.INTRA.VDW.0>
-0.051612

>  <SCORE.INTRA.norm>
-0.0304587

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.404835

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000450

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  203.5815  194.1645  239.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4673  193.1333  239.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0255  191.7329  240.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9043  190.6958  240.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4647  189.2938  240.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3682  188.2665  240.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1480  187.5006  241.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1002  186.5078  241.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9100  185.7584  242.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8329  184.7530  242.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6549  184.0637  243.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <CHROM.1>
179.92956164,179.77428464,-179.82031921,-119.99774877,179.91041588,179.92484258
201.23722816,188.76272276,241.31401842,0.93044611,0.82079252,0.12970059

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450389/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.4002

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
0.0002024

>  <SCORE.INTRA.DIHEDRAL>
0.000275734

>  <SCORE.INTRA.DIHEDRAL.0>
0.000125111

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
6.45336e-05

>  <SCORE.INTRA.VDW.0>
-0.858494

>  <SCORE.INTRA.norm>
1.84e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
1.03638

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.040400

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  198.1687  194.5442  245.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3087  195.3950  246.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9413  194.9170  247.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0350  195.7245  248.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4838  197.0114  248.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8338  197.5088  247.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7746  196.7029  246.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2237  198.7850  247.5352 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0853  199.6660  248.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4691  199.4651  249.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3517  200.9549  248.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5537  200.6969  248.4245 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.3396  199.2123  247.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8535  199.2597  246.3292 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6683  198.0765  245.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0494  198.0690  244.6020 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2087  196.7942  246.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7325  196.8681  247.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7328  198.0857  248.1573 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2657  195.8080  248.1499 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3031  194.6134  247.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7777  194.4595  246.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2265  195.5557  245.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7694  195.2192  244.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9726  193.9824  243.6444 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.4222  195.4273  244.0197 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.3324  196.0706  243.2282 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.9581  193.5172  248.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1732  192.2059  247.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8314  191.4233  248.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0933  192.1518  249.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5512  193.7624  249.8506 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.6871  193.1740  247.6772 Br  0  0  0  0  0  0  0  0  0  0  0  0
  196.7295  199.0188  246.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1479  198.1087  249.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-5.44256188,86.30055783,-49.33007101,-102.62118288,-178.57739862,174.39841638
196.29405441,195.93062896,247.19845569,0.71897473,0.68641854,-2.78390322

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450390/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.0317857

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.345455

>  <SCORE.INTRA>
-11.4318

>  <SCORE.INTRA.DIHEDRAL>
-2.99777

>  <SCORE.INTRA.DIHEDRAL.0>
7.25921

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.9329

>  <SCORE.INTRA.VDW.0>
0.2538

>  <SCORE.INTRA.norm>
-0.346418

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
-0.000963204

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000015

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  197.3976  225.5175  251.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5286  225.8980  250.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1779  225.4864  250.5802 N   0  0  1  0  0  0  0  0  0  0  0  0
  194.2806  225.2612  249.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9360  224.8026  250.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0820  223.5291  250.8825 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.2148  223.7053  251.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2516  223.1065  253.0166 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.3268  224.3890  251.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.5904  224.4776  252.1690 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2657  223.1176  252.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7722  222.0924  251.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7432  223.0754  251.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0916  224.0084  252.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3710  223.8869  253.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7521  224.7245  254.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8455  225.6904  254.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5515  225.8151  253.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1676  224.9757  252.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5122  222.3872  250.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.6261  221.5470  250.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.4209  222.5945  249.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  1  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-63.63636097,179.01258746,-119.10798120,-91.61546155,193.67664009,224.25900308
251.82856361,0.24071235,0.25599054,-1.04799206

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450391/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.77516

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-1.62484

>  <SCORE.INTRA.DIHEDRAL>
-2.09246

>  <SCORE.INTRA.DIHEDRAL.0>
3.36041

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.578611

>  <SCORE.INTRA.VDW.0>
-1.44041

>  <SCORE.INTRA.norm>
-0.081242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.388758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.125754

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  210.2032  194.6251  250.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1624  195.0331  249.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4368  194.2987  249.3687 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6572  194.9896  248.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8920  194.6135  249.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3963  192.9277  249.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5649  191.9770  250.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4437  190.6042  249.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1537  190.1575  248.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0316  191.0838  247.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1592  192.4483  247.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9351  188.7337  248.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1684  187.7535  249.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6682  187.9976  250.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0600  188.1847  251.5605 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7917  186.3782  248.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2984  186.0836  247.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9879  185.5124  249.7956 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6246  184.1461  249.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9136  183.3517  250.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-148.46126656,144.82206063,-108.64501468,-9.32931396,0.49783884,178.28732397
-179.83880833,212.21981656,190.01237299,249.34896685,1.43570958,-1.06206950
-0.15157093

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450392/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.68697

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.62

>  <SCORE.INTRA>
-8.71303

>  <SCORE.INTRA.DIHEDRAL>
-17.3327

>  <SCORE.INTRA.DIHEDRAL.0>
19.7266

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.046694

>  <SCORE.INTRA.VDW.0>
1.66076

>  <SCORE.INTRA.norm>
-0.435651

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.184349

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001547

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  209.8856  191.6234  245.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7530  190.9464  244.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7509  190.2908  245.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3992  189.5483  246.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7121  189.6898  247.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6316  190.6119  246.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4899  188.7980  247.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7341  189.5645  248.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9694  190.7735  248.5068 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5658  191.9774  248.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8829  193.0294  247.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4295  192.8685  247.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7367  193.8200  247.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9040  191.6588  247.8457 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.5966  190.5883  248.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9834  189.5498  248.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4948  194.3976  247.4667 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1219  194.7943  246.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6724  196.0433  245.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3791  197.2161  246.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3762  196.9224  247.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6726  195.5956  247.8879 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.8665  195.6428  247.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.2292  195.3883  248.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.6166  195.9087  244.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6982  196.6884  244.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4197  196.2726  243.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0266  195.1392  242.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9644  194.3364  243.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3187  194.7114  244.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3676  194.0554  245.0352 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9224  192.1178  248.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9120  191.5239  247.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0301  193.1248  244.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.2663  192.7343  247.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 17 11  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 31  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  CHG  1  22   1
M  END
>  <CHROM.1>
-79.68676802,49.94355124,-72.12656300,150.30786064,91.41614976,207.29232246
192.94222871,246.55154658,-1.05611033,-0.59571457,2.88866580

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450393/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.21348

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-3.18652

>  <SCORE.INTRA.DIHEDRAL>
1.88311

>  <SCORE.INTRA.DIHEDRAL.0>
3.99965

>  <SCORE.INTRA.POLAR>
-0.130781

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.68341

>  <SCORE.INTRA.VDW.0>
-1.81485

>  <SCORE.INTRA.norm>
-0.106217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.207116

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000021

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  180.3920  213.0064  257.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4022  213.5881  256.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1011  214.7431  256.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0298  215.2844  255.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2938  214.6985  255.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5794  213.5367  255.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6490  212.9890  256.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2894  215.2502  254.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0069  216.3627  253.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8894  217.0627  252.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2836  217.2074  252.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9826  217.8234  251.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3410  218.2861  250.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9638  218.1446  250.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2477  217.5455  251.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1669  218.8358  249.4350 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.6203  219.8567  248.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1454  216.8069  253.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0193  217.2922  254.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5532  214.5878  254.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5662  214.0277  253.9180 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <CHROM.1>
1.24289365,-34.95527166,-60.68669842,-150.23505101,184.66012335,216.09582441
253.51819203,2.10025314,-0.00671618,2.22964856

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450434/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.50987

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-4.89013

>  <SCORE.INTRA.DIHEDRAL>
-6.49312

>  <SCORE.INTRA.DIHEDRAL.0>
15.9775

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.64357

>  <SCORE.INTRA.VDW.0>
2.23173

>  <SCORE.INTRA.norm>
-0.232863

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.214756

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000112

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  213.3766  193.2282  248.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8774  193.4044  248.2098 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.7947  194.5176  248.6822 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.9771  195.7732  247.8691 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.6518  196.3391  247.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3540  196.3653  246.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1540  196.9137  245.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2351  197.4434  246.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5115  197.4201  247.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7099  196.8731  248.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6791  196.7244  248.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0341  192.6545  249.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0548  191.2535  249.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2502  190.5678  250.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3905  191.2739  251.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3427  192.6623  250.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1596  193.3436  250.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7926  197.5284  248.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  1  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <CHROM.1>
-56.53418767,117.20854709,-114.32416455,179.96672444,211.14589827,194.55246982
248.47469925,-1.68941350,0.07936759,-0.53195188

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450435/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.06528

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494118

>  <SCORE.INTRA>
-3.33472

>  <SCORE.INTRA.DIHEDRAL>
-4.7446

>  <SCORE.INTRA.DIHEDRAL.0>
7.89147

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.962421

>  <SCORE.INTRA.VDW.0>
-1.12468

>  <SCORE.INTRA.norm>
-0.19616

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.297958

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011311

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  183.5639  215.7510  257.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5487  215.5002  258.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8871  215.0947  258.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6905  214.9237  259.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1967  215.1345  261.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8761  215.5225  261.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0640  215.7059  260.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2385  215.7805  262.9877 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  186.5944  214.8162  257.6813 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5258  215.6670  256.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0619  217.0659  256.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1381  217.5168  256.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1629  217.7127  257.6529 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5221  219.0390  258.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4780  219.6601  259.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3797  218.9132  260.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8381  221.1262  259.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
45.30931337,62.90540048,104.52786845,178.08085450,-178.10199171,65.26969115
185.65024505,216.73526987,259.30212129,-2.81329577,1.15001375,0.10164320

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450437/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.26381

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-7.13619

>  <SCORE.INTRA.DIHEDRAL>
-6.82186

>  <SCORE.INTRA.DIHEDRAL.0>
10.7135

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.72526

>  <SCORE.INTRA.VDW.0>
1.69714

>  <SCORE.INTRA.norm>
-0.419776

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.250812

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000762

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 55 56  0  0  0  0  0  0  0  0999 V2000
  216.6400  180.5750  249.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7884  181.3614  250.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7587  181.2545  251.5892 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7350  182.2072  251.0925 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.7469  183.2278  252.1377 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.8212  184.4312  251.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3039  184.2713  251.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7065  183.7912  250.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2867  183.6198  250.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4080  183.6925  251.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0278  184.2178  252.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4161  184.5511  252.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9950  183.2503  251.5676 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4480  182.3008  250.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7395  182.8229  249.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2227  181.9635  248.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4970  180.6096  248.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4658  180.1591  249.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8953  180.9669  250.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9486  180.4226  251.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3179  181.0564  252.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5275  179.2656  251.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0145  183.6963  252.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9981  183.0665  252.7651 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1335  185.1274  253.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8735  185.9438  252.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4123  185.3301  254.1095 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9106  183.5459  248.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3848  184.8127  248.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9671  184.5015  247.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3845  182.5610  253.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1483  182.6076  254.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1633  181.9188  253.5274 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7124  181.1395  254.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6403  180.1263  254.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1920  179.2243  255.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2234  178.1649  254.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9027  177.2713  253.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8647  177.4241  252.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6467  176.2839  254.5654 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0247  176.1753  254.1132 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.8310  177.4877  254.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3099  177.7608  253.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9937  179.5223  254.3487 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.8071  179.6086  254.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7318  174.9318  254.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2112  174.0573  253.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8235  174.9257  256.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8999  182.1601  250.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1590  178.9328  251.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.5138  186.2444  254.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.6394  185.3274  246.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.5315  182.0006  252.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.1072  175.4169  254.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3047  174.1382  256.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 49  1  0  0  0  0
  5  6  1  6  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 53  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 54  1  0  0  0  0
 41 42  1  1  0  0  0
 41 46  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 55  1  0  0  0  0
M  END
>  <CHROM.1>
152.98942963,67.79312372,121.74929351,-83.35558080,-98.62634839,20.78010125
-98.76207887,11.49181498,-175.50061390,12.93757236,177.89833523,-174.22053258
-179.90873764,-157.62004030,176.50427032,-174.96189364,63.17911132,-94.46221746
-128.61858275,60.30525727,-179.29699848,120.42983578,178.47398417,174.55748046
-178.06565942,212.36103763,181.10162670,252.31442175,-0.77641820,-0.15459292
-0.38115731

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450438/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.98407

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-22.4159

>  <SCORE.INTRA.DIHEDRAL>
-38.5988

>  <SCORE.INTRA.DIHEDRAL.0>
62.192

>  <SCORE.INTRA.POLAR>
-0.487205

>  <SCORE.INTRA.POLAR.0>
-0.491221

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.46005

>  <SCORE.INTRA.VDW.0>
-11.8692

>  <SCORE.INTRA.norm>
-0.466999

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
0.0830014

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041836

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 57 59  0  0  0  0  0  0  0  0999 V2000
  217.4492  199.8438  242.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0949  198.8835  241.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5478  197.6144  241.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2602  196.7801  240.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4587  197.2444  240.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9708  198.4959  240.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3014  199.3022  241.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8481  195.3906  240.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2083  197.1642  242.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8031  197.4111  243.1519 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4653  196.5360  241.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1386  196.1945  241.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2544  195.4893  240.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1261  194.2610  240.4681 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6623  196.3678  239.3131 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.6066  195.4998  238.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9638  195.0479  237.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7853  196.2012  236.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5391  196.8139  237.9989 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1857  197.9747  238.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1660  198.7540  237.9892 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9233  198.5917  239.3553 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3165  196.8491  239.6349 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.6873  197.8274  238.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7661  197.5844  238.1158 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2186  199.2513  239.1828 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.2982  200.3217  238.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7426  201.7670  238.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0359  202.5289  237.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5871  203.8093  237.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8380  204.3479  238.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5118  203.6183  240.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9630  202.3400  239.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3088  199.4436  240.6499 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4910  199.6447  241.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5684  199.7271  240.7457 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3390  199.8316  242.8698 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.7100  199.7292  243.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6386  199.7925  245.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6150  198.6148  245.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5904  198.6704  247.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5809  199.9073  247.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5658  201.0826  247.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5879  201.0265  245.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5884  200.0108  249.2468 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7144  201.1269  243.1577 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3896  201.3729  242.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6552  200.5636  242.3491 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.9001  202.7152  243.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4697  198.3091  237.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7699  199.3984  238.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.3567  199.1549  239.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.7799  199.0427  239.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6754  196.2153  240.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4515  199.3672  241.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4866  200.9463  249.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.2899  201.8494  243.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 55  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 46  1  0  0  0  0
 38 39  1  0  0  0  0
 39 44  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 45  1  0  0  0  0
 43 44  2  0  0  0  0
 45 56  1  0  0  0  0
 46 47  1  0  0  0  0
 46 57  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
M  END
>  <CHROM.1>
-37.13044766,-174.47389385,179.61531878,98.20743887,145.64558372,-64.56785344
168.52350493,-68.52141882,86.07215127,-108.53419996,13.70796843,-146.08765981
106.14164074,-167.60431837,-175.08257300,115.61061743,116.16475437,167.20455026
-175.47888330,71.87995793,95.83845785,-174.19271434,213.68255880,198.92969347
241.20486742,-0.87547780,-0.60369777,1.23872922

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450439/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.3074

>  <SCORE.INTER>
26.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
21

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.538776

>  <SCORE.INTRA>
-15.0926

>  <SCORE.INTRA.DIHEDRAL>
-1.6846

>  <SCORE.INTRA.DIHEDRAL.0>
20.2029

>  <SCORE.INTRA.POLAR>
-2.36249

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.21782

>  <SCORE.INTRA.VDW.0>
-5.47046

>  <SCORE.INTRA.norm>
-0.308012

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
49

>  <SCORE.norm>
0.230764

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003374

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 46  0  0  0  0  0  0  0  0999 V2000
  201.7370  209.0196  247.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7005  208.3986  246.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6729  209.0370  246.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4593  207.9230  245.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8903  206.6958  246.0609 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.8734  207.0121  246.8905 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1933  205.2818  245.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0462  204.9202  244.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2270  203.5614  244.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5509  202.5867  245.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7059  202.9604  246.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5321  204.3145  246.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6558  207.9584  244.8412 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.2541  209.0623  244.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8374  210.2990  244.4515 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8207  211.0982  243.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9263  212.4967  243.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0884  213.0944  243.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0987  212.3152  242.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9898  210.9201  242.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8406  210.3334  243.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4469  209.0200  243.6041 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3527  207.8765  243.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4680  207.0138  244.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3713  205.6156  244.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3033  204.7954  245.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3218  205.3592  247.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4145  206.7422  247.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4934  207.5644  246.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9034  210.5022  246.0516 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.8800  211.1880  245.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4983  210.9492  245.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6518  211.4353  244.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1473  212.1728  243.1830 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.5122  212.5074  242.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4516  212.4686  243.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3370  211.9741  244.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7376  211.0785  247.3510 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.2863  206.3233  247.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.0943  207.0795  244.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3953  210.6768  247.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 39  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 14 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 38  1  1  0  0  0
 31 37  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 38 41  1  0  0  0  0
M  CHG  2   5   1  34   1
M  END
>  <CHROM.1>
-82.82018776,-11.37121974,-9.93871524,3.52544724,-35.17414135,132.27867163
47.45155615,60.95730242,205.27734701,208.53494324,245.08328371,1.80058926
0.23380300,-0.27487953

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450441/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.43181

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335135

>  <SCORE.INTRA>
-13.8318

>  <SCORE.INTRA.DIHEDRAL>
-29.6952

>  <SCORE.INTRA.DIHEDRAL.0>
35.6318

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.0158

>  <SCORE.INTRA.VDW.0>
-5.10105

>  <SCORE.INTRA.norm>
-0.373833

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
-0.0386975

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  213.4779  195.7708  255.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5925  195.0114  254.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1971  195.1489  254.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4002  194.4337  253.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9831  193.5757  253.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3688  193.4119  252.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1659  194.1368  253.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0035  192.5448  252.0318 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3558  191.7784  251.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1461  191.7444  250.8835 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2454  190.9352  250.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6310  190.1875  249.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3706  189.3096  248.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5910  189.2134  248.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.5632  188.5117  247.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2346  187.6637  246.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5063  186.9227  245.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1214  187.0239  245.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4424  187.8685  246.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1622  188.6165  247.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4266  186.3152  244.6265 F   0  0  0  0  0  0  0  0  0  0  0  0
  213.1541  186.1080  244.7418 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.3146  196.2904  256.0875 Br  0  0  0  0  0  0  0  0  0  0  0  0
  214.0130  192.4995  252.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
0.65605187,-179.59646395,0.47336780,-179.46218400,211.83908281,191.79123203
251.06833722,-1.65575955,0.06712790,-2.28837896

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450466/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.77042

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-1.62958

>  <SCORE.INTRA.DIHEDRAL>
-4.04775

>  <SCORE.INTRA.DIHEDRAL.0>
4.05881

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.394297

>  <SCORE.INTRA.VDW.0>
0.460868

>  <SCORE.INTRA.norm>
-0.0708513

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.337844

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000081

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  222.2573  192.2511  237.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6314  191.6162  237.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4114  190.3828  236.8895 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.1242  190.2967  236.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3664  191.3127  237.2358 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4050  189.3162  236.1166 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3920  188.5469  236.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6846  187.6310  237.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6826  186.8974  238.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9537  186.0452  239.4588 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9098  185.4150  240.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6146  185.6023  239.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3119  186.4282  238.5942 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.3407  187.0746  238.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0547  187.9374  236.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0594  188.6605  236.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5117  187.3942  238.3008 Br  0  0  0  0  0  0  0  0  0  0  0  0
  220.5897  190.9973  237.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.9271  188.8033  235.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
121.60443299,-67.02984046,220.91058474,188.21521394,237.91789862,0.83076694
-0.14322320,-0.46810216

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450467/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.59865

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-1.80135

>  <SCORE.INTRA.DIHEDRAL>
-0.0007354

>  <SCORE.INTRA.DIHEDRAL.0>
0.960107

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.80098

>  <SCORE.INTRA.VDW.0>
-0.293672

>  <SCORE.INTRA.norm>
-0.105962

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.329332

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000513

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  216.4082  181.2744  239.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3466  180.0654  239.2605 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.6646  178.7715  239.7849 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.6535  177.7358  240.0245 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0986  176.9902  238.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8250  175.7987  238.8918 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1041  177.6636  238.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8947  176.8380  237.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0665  177.2006  236.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1622  178.4207  235.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2891  178.6989  235.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3219  177.7655  235.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2243  176.5436  235.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0956  176.2587  236.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2478  179.1427  238.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3325  179.7259  238.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0477  179.8143  237.9942 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5656  180.2998  236.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4559  178.2850  238.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1884  178.2664  239.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0685  177.8484  238.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1925  177.4476  237.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4379  177.4521  236.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5526  177.8533  237.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-115.26998475,-33.15282162,218.20736131,178.20449660,237.82685339,-2.98499552
-0.32945029,-2.95760405

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450468/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.05066

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-3.34934

>  <SCORE.INTRA.DIHEDRAL>
-9.21703

>  <SCORE.INTRA.DIHEDRAL.0>
13.5073

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.25918

>  <SCORE.INTRA.VDW.0>
-2.6308

>  <SCORE.INTRA.norm>
-0.139556

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.168778

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  212.5357  189.0637  248.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2635  189.4652  247.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7812  188.5426  246.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5724  187.2014  246.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8319  186.8135  248.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3303  187.7412  249.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6447  185.4635  248.5363 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0857  184.6221  247.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8208  184.9115  246.3750 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0859  186.2433  245.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8140  186.6256  244.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0153  187.9447  244.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4938  188.8994  245.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7912  183.3920  248.1076 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6422  185.2140  249.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.1326  183.3412  248.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.6295  182.8450  248.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
60.76374028,211.49278097,186.84080300,247.00171975,-1.09743461,1.20632343
2.37789233

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450469/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.30995

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.457143

>  <SCORE.INTRA>
-0.0900479

>  <SCORE.INTRA.DIHEDRAL>
-0.00932672

>  <SCORE.INTRA.DIHEDRAL.0>
0.487116

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0853845

>  <SCORE.INTRA.VDW.0>
-0.169003

>  <SCORE.INTRA.norm>
-0.00643199

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.450711

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000840

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  212.9873  191.4216  240.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5882  190.0262  240.7335 C   0  0  1  0  0  0  0  0  0  0  0  0
  214.6806  190.0349  241.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5880  190.1942  243.0526 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.8622  190.0386  243.5530 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6467  189.7902  242.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9613  189.7777  241.3337 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.0655  189.4617  242.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7221  189.1636  241.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0581  188.7539  241.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7572  188.6486  242.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1307  188.9758  243.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7944  189.3837  243.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5716  189.1058  241.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9862  187.8162  241.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0814  187.4254  240.7986 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9374  186.8947  241.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2608  185.5340  241.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3290  184.5854  242.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0490  184.9693  242.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7220  186.3302  242.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6609  187.2943  242.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0651  184.0940  242.8846 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5049  183.0983  243.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8903  183.6808  245.1686 C   0  0  2  0  0  0  0  0  0  0  0  0
  208.8153  184.5609  245.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6284  185.5596  246.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8404  185.7561  245.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0565  184.5141  244.9995 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
69.38899032,172.63919491,176.83878391,-3.32750154,178.31834915,46.86147192
67.00725531,52.45467805,213.54603424,187.45517855,242.73492277,0.51639975
-0.23012174,-0.75991484

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450470/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8501

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-2.54995

>  <SCORE.INTRA.DIHEDRAL>
1.19398

>  <SCORE.INTRA.DIHEDRAL.0>
3.20819

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.14694

>  <SCORE.INTRA.VDW.0>
1.81249

>  <SCORE.INTRA.norm>
-0.0879292

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.37414

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006879

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  199.7698  201.8535  241.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5554  202.2046  243.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4389  203.2571  243.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2770  204.4219  242.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4578  204.1019  241.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5925  203.0048  240.6222 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1881  203.4659  240.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2474  202.4350  239.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1629  202.3218  238.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5826  201.6011  240.7845 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8157  200.4156  240.4034 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.3217  199.8701  241.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8826  200.8933  242.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5836  201.8341  242.1327 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6935  200.8382  244.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9609  199.9068  244.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9635  200.1847  246.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6961  201.3116  246.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3924  202.0126  245.1376 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.7027  199.4081  239.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5258  198.7825  238.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5696  197.8663  238.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5282  197.8381  239.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1678  198.9129  240.4585 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-65.84764878,-81.76892016,-127.42404574,-2.26014434,197.46608347,201.18195826
241.84814278,-1.25460263,0.76306407,1.05949803

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450471/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.0778

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-2.3222

>  <SCORE.INTRA.DIHEDRAL>
-0.631784

>  <SCORE.INTRA.DIHEDRAL.0>
2.32596

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0231823

>  <SCORE.INTRA.REPUL.0>
0.0231823

>  <SCORE.INTRA.VDW>
-1.8904

>  <SCORE.INTRA.VDW.0>
-2.25753

>  <SCORE.INTRA.norm>
-0.0967584

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.294908

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001763

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  206.4332  193.5703  254.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3451  192.5413  253.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8291  192.7265  252.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4042  193.9310  252.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4522  194.9176  253.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9877  194.7839  254.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0109  196.1003  252.6600 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.7280  191.5962  251.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0553  191.1061  249.9690 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.9871  190.4084  249.4160 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.2797  190.3335  248.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1735  192.0453  248.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2543  192.6745  249.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9750  193.7274  249.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1594  194.3765  248.2307 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6099  194.0376  247.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3840  192.4484  246.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3621  189.6272  247.0874 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  1  18  -1
M  END
>  <CHROM.1>
-178.35955788,177.72035629,35.03661091,207.81083443,192.86673577,250.49171570
1.89043197,0.93124172,0.87907865

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450472/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.24739

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-5.15261

>  <SCORE.INTRA.DIHEDRAL>
2.28571

>  <SCORE.INTRA.DIHEDRAL.0>
0.388552

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.29547

>  <SCORE.INTRA.VDW.0>
5.3673

>  <SCORE.INTRA.norm>
-0.286256

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.180411

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000175

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  209.0034  191.7953  234.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1239  192.6895  235.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1128  193.6204  235.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2213  194.4896  236.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3455  194.4235  237.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3628  193.5005  237.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2458  192.6308  236.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5375  195.6124  239.0698 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.2274  196.1377  239.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3992  195.0448  240.0811 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3827  196.8917  238.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6824  196.4655  237.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8252  196.0527  236.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0760  195.6142  235.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1878  195.6024  236.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0558  196.0128  238.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8116  196.4303  238.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7237  196.9821  240.2076 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.7357  196.1201  235.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8502  195.6726  234.2553 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6660  196.8382  235.7845 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5506  197.5643  239.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.7141  197.1304  236.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
22.40960576,-60.65083425,95.51603308,-174.84008540,-6.48521631,210.71394060
195.34473253,237.48248229,-2.22649283,0.39157680,1.15699663

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450473/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.41678

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-4.98322

>  <SCORE.INTRA.DIHEDRAL>
-4.4576

>  <SCORE.INTRA.DIHEDRAL.0>
6.67

>  <SCORE.INTRA.POLAR>
-0.344537

>  <SCORE.INTRA.POLAR.0>
-0.605719

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.583

>  <SCORE.INTRA.VDW.0>
-3.03983

>  <SCORE.INTRA.norm>
-0.237296

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.210323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000041

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  213.5376  189.6540  239.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4974  188.5826  239.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3394  188.4558  239.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6353  187.2984  239.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4321  186.7131  238.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5764  187.4670  238.4043 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.7693  187.0510  237.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6816  187.5296  236.2067 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.6633  189.0577  236.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4835  189.6988  235.6419 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5833  188.8995  235.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5236  189.5436  234.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5110  188.8015  233.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5502  187.4101  233.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6191  186.7692  234.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6413  187.5174  235.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6499  186.7981  235.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2158  185.4308  237.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3434  186.7726  239.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0268  185.5971  239.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3443  187.7079  240.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5030  189.1084  240.4372 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3954  189.4999  239.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1613  188.7515  238.1992 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5837  190.9792  238.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6733  191.2964  238.1117 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6371  191.6224  236.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8529  191.9427  236.4132 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6423  191.8191  237.5322 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9248  191.4311  238.5781 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
-159.93387681,-98.02294018,63.48379153,20.43941085,60.84067750,1.05898550
121.64728297,97.41431203,210.86270900,188.64506564,237.52528861,-2.67265776
0.96608134,-0.61265055

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450523/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.43395

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.446667

>  <SCORE.INTRA>
-4.96605

>  <SCORE.INTRA.DIHEDRAL>
-5.02117

>  <SCORE.INTRA.DIHEDRAL.0>
12.8699

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.45546

>  <SCORE.INTRA.VDW.0>
-3.14062

>  <SCORE.INTRA.norm>
-0.165535

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.281132

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000056

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  220.3507  179.6395  235.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3138  179.8378  234.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4380  180.6287  235.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6267  181.2454  236.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6613  181.0488  237.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5270  180.2607  237.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7663  180.3387  238.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4163  181.1435  239.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5747  181.5539  238.6568 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.0423  181.6352  240.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9206  181.2795  241.1268 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9227  181.8646  242.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0427  182.6552  242.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8482  182.5828  241.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8527  183.2072  241.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2485  183.3302  243.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2675  183.1761  244.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1380  182.3644  244.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9669  181.7049  243.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4591  180.5964  243.1367 Br  0  0  0  0  0  0  0  0  0  0  0  0
  219.4510  184.0764  246.4881 Br  0  0  0  0  0  0  0  0  0  0  0  0
  218.5505  179.8234  238.6032 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1363  182.3403  236.6831 Br  0  0  0  0  0  0  0  0  0  0  0  0
  221.0667  179.0246  233.2363 Br  0  0  0  0  0  0  0  0  0  0  0  0
  222.2405  182.1954  239.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.2334  180.0688  239.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <CHROM.1>
-176.43336004,3.86350741,220.27509989,181.48937709,239.88983455,1.20242669
-0.50870786,-2.00254984

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450524/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.90357

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-3.49643

>  <SCORE.INTRA.DIHEDRAL>
-2.20992

>  <SCORE.INTRA.DIHEDRAL.0>
2.31053

>  <SCORE.INTRA.POLAR>
-0.741285

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.128899

>  <SCORE.INTRA.VDW.0>
-1.15172

>  <SCORE.INTRA.norm>
-0.145685

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.120982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  217.5823  184.0368  246.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9633  184.8166  247.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3890  184.7191  248.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4158  183.8538  249.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0355  183.0789  248.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6357  183.1707  246.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3341  182.3433  245.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3472  181.5107  246.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9006  180.6212  245.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4928  180.5459  243.9230 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8868  179.8819  245.6362 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5408  178.9222  244.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8415  177.5590  244.7872 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.4771  177.5745  244.0870 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.0145  176.1041  244.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.9985  175.4491  245.3905 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.3242  175.6980  246.1437 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.6506  177.0898  246.1354 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2071  175.2702  247.4928 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.8977  176.0031  246.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.7237  176.0207  243.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5679  178.1925  242.8048 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.8178  185.4630  249.7732 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.0652  175.4448  247.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.9422  175.6210  247.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.0981  176.4577  244.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.7094  179.1487  242.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.1218  186.0163  249.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  6  0  0  0
 15 16  1  0  0  0  0
 15 21  1  1  0  0  0
 16 17  1  0  0  0  0
 16 20  1  1  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
>  <CHROM.1>
-0.03778596,179.81620187,-1.50746798,178.86760877,-89.25979818,70.38933780
-70.72487822,-65.75960401,-176.14004275,179.77057494,219.80931719,179.75964807
245.98002736,-2.41626359,-1.13278471,2.72335472

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450525/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.918514

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-11.3185

>  <SCORE.INTRA.DIHEDRAL>
-14.1637

>  <SCORE.INTRA.DIHEDRAL.0>
18.8756

>  <SCORE.INTRA.POLAR>
-0.963421

>  <SCORE.INTRA.POLAR.0>
-0.0983189

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.961034

>  <SCORE.INTRA.VDW.0>
1.2874

>  <SCORE.INTRA.norm>
-0.492109

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.0399354

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001624

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  211.3312  197.4098  247.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9977  198.7268  248.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9249  198.6123  249.2895 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.6939  199.9747  249.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6535  198.0979  248.7659 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1293  196.8684  249.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6659  196.1448  249.9754 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9247  196.4693  248.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6597  195.1587  248.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4611  195.1222  246.8013 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.3230  196.8504  246.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0367  197.4080  247.8434 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7028  197.6298  245.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5913  198.0704  244.6271 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3770  197.6910  243.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8342  196.2554  242.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0308  197.9376  242.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7420  198.7617  245.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9957  198.8892  246.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5151  199.2985  244.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7424  199.9617  244.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3161  200.6091  243.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5439  201.2739  243.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1971  201.2587  244.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6315  200.6234  245.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4126  199.9748  245.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7369  202.0260  244.6050 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.1063  198.6450  248.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1025  199.4171  243.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
178.24723872,114.08075106,144.02537663,-88.08725352,121.95306102,-77.21365505
-171.37094351,208.16045875,198.43397439,246.09952248,-0.45082896,0.55826908
2.03685117

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450526/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2632

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-2.13681

>  <SCORE.INTRA.DIHEDRAL>
2.11083

>  <SCORE.INTRA.DIHEDRAL.0>
5.56219

>  <SCORE.INTRA.POLAR>
-0.820409

>  <SCORE.INTRA.POLAR.0>
-0.0796475

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.402839

>  <SCORE.INTRA.VDW.0>
-2.42242

>  <SCORE.INTRA.norm>
-0.0791412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.380118

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000149

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  213.4088  180.0778  245.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9144  178.8114  244.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0431  178.2981  243.7541 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.1660  177.9346  244.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6095  179.1633  245.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5250  179.8262  246.2210 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1383  178.9919  247.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1010  179.5956  248.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5118  180.6581  249.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6392  181.2321  250.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3291  180.7822  250.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8596  179.7916  249.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5039  179.4308  249.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9928  178.4863  248.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8388  177.8659  247.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1969  178.1978  247.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7411  179.1774  248.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8033  177.5207  242.6832 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.9893  178.1758  241.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8608  177.5392  240.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0467  178.3235  239.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9148  177.7472  237.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6341  176.3879  237.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4190  175.6047  238.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5231  176.1877  240.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6166  175.7448  236.5452 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8815  175.7836  235.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9152  175.0729  236.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9446  173.6704  236.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8887  172.9950  237.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8081  173.7147  238.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7939  175.1083  238.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8493  175.7858  237.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
105.31014473,-64.10039205,-72.34228562,178.52497436,61.05731062,62.35439452
77.76081632,213.72774309,177.68733259,243.02413907,-1.87055003,-0.00759508
-1.94856956

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450527/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.35032

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.375758

>  <SCORE.INTRA>
-4.04968

>  <SCORE.INTRA.DIHEDRAL>
-0.493785

>  <SCORE.INTRA.DIHEDRAL.0>
6.54232

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.80279

>  <SCORE.INTRA.VDW.0>
1.08275

>  <SCORE.INTRA.norm>
-0.122718

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.25304

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  205.1111  197.0792  244.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9220  196.1047  244.9876 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1641  195.1883  245.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0917  195.6077  244.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3552  195.8130  244.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5492  195.3272  244.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5290  194.6050  243.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3129  194.3709  242.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1228  194.8617  243.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9051  194.4873  242.4957 N   0  3  0  0  0  0  0  0  0  0  0  0
  205.1128  193.7410  243.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7766  194.9119  241.3374 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <CHROM.1>
118.70879919,206.80272635,195.16835565,243.71487455,-3.05270680,0.06865466
-2.05216286

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450528/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59733

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-1.80267

>  <SCORE.INTRA.DIHEDRAL>
0.0109518

>  <SCORE.INTRA.DIHEDRAL.0>
0.47447

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.80814

>  <SCORE.INTRA.VDW.0>
1.17978

>  <SCORE.INTRA.norm>
-0.150222

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.383111

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001292

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  201.3940  200.1892  244.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5109  201.1858  244.2041 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.1834  201.9854  242.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0160  202.2619  242.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2378  202.3582  242.0797 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1693  201.3102  241.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9737  201.6795  240.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5476  203.0484  240.3398 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4516  203.9912  240.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7394  203.7308  241.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6876  203.1569  241.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9472  202.4266  240.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0276  201.0286  240.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2100  200.3674  240.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3217  201.0951  240.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2535  202.4863  240.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0757  203.1448  240.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7147  202.3379  245.6158 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.1439  203.2401  245.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2461  202.5279  244.7872 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.3675  203.1973  244.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3822  204.5776  244.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2052  205.2450  244.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0697  204.5778  245.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1962  206.7661  244.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4552  207.3055  243.4383 F   0  0  0  0  0  0  0  0  0  0  0  0
  203.9978  207.2914  245.0481 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.1296  207.3026  245.5023 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.5759  202.3738  244.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4945  200.9718  244.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6338  200.1676  244.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8787  200.7546  243.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9884  202.1451  243.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8502  202.9427  243.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
32.51813129,174.43343406,52.39068666,71.12168265,-73.13949097,-57.09753201
6.78072127,63.41589428,205.72328453,203.03067581,243.14248172,2.63775809
0.24346429,0.48669052

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450529/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.86288

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394118

>  <SCORE.INTRA>
-7.53712

>  <SCORE.INTRA.DIHEDRAL>
-0.575382

>  <SCORE.INTRA.DIHEDRAL.0>
6.49244

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.24943

>  <SCORE.INTRA.VDW.0>
-0.897496

>  <SCORE.INTRA.norm>
-0.22168

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.172438

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000399

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  211.2258  194.0633  243.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8325  193.5262  245.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2438  192.2549  245.4679 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1468  192.1868  246.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5123  193.1312  246.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8429  190.7612  246.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8932  190.4171  247.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5878  189.0434  247.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3332  188.6912  248.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1203  187.3828  248.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1365  186.4264  248.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3614  186.7727  248.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5952  188.0752  247.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7164  185.4664  248.0608 Br  0  0  0  0  0  0  0  0  0  0  0  0
  206.3703  189.6697  248.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3393  189.6216  247.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9814  189.6674  246.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2381  188.6893  245.4178 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3282  190.9535  245.7909 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.0046  191.0778  244.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3211  192.5443  244.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8956  189.7239  245.7348 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.8141  191.0722  245.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8256  190.9199  244.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 23  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-91.54574629,-157.95874945,102.24222444,-58.77075426,95.95630771,176.94365428
179.50046370,209.26508786,189.39896891,246.69955323,-1.50127914,-0.15179485
2.68321842

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450547/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.940733

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-11.4593

>  <SCORE.INTRA.DIHEDRAL>
-18.8818

>  <SCORE.INTRA.DIHEDRAL.0>
28.6756

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.01839

>  <SCORE.INTRA.VDW.0>
-0.519848

>  <SCORE.INTRA.norm>
-0.477469

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.0391972

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000125

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  217.8533  182.1971  254.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5237  181.6763  256.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7403  180.5817  256.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2332  179.9915  257.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2137  180.3588  258.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4154  178.9667  257.9769 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6004  177.6991  257.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5275  177.7888  255.9460 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.6562  178.0982  255.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7701  178.1988  255.7415 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.3333  178.3512  253.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4349  178.7519  253.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9016  179.0049  251.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9346  179.0715  258.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6523  177.9129  255.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
178.66535592,4.40912818,84.71752864,-55.77837036,86.41853267,177.25046846
-179.54935861,218.39736055,179.37027869,255.69911479,-0.09569438,1.41085079
-0.09529477

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450548/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.51695

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.953846

>  <SCORE.INTRA>
-7.88305

>  <SCORE.INTRA.DIHEDRAL>
-10.5229

>  <SCORE.INTRA.DIHEDRAL.0>
12.5248

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.62161

>  <SCORE.INTRA.VDW.0>
1.86099

>  <SCORE.INTRA.norm>
-0.606389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.347458

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010748

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  212.5017  192.5408  247.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5003  194.0036  248.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7015  194.7888  247.1901 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7302  196.1373  247.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6152  196.6666  248.4632 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9503  196.8459  246.1763 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6915  198.2785  246.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6100  196.2534  245.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7875  195.0346  244.9735 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0588  197.1063  243.9177 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.3637  196.6248  243.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4586  196.9996  243.7367 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3512  195.5985  242.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5283  195.2531  241.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5294  194.1894  240.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3584  193.4765  240.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1766  193.8362  241.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1690  194.8935  241.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3727  192.1403  239.3150 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.0136  196.1257  241.6987 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.9720  197.3442  242.9629 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8528  198.3268  242.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7154  198.1922  241.3821 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1382  197.1214  241.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8532  196.5839  242.9832 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
179.99329518,1.24858565,145.02743400,-87.53747953,159.34475891,171.92669626
214.19447351,195.59632355,243.46947300,-2.74888968,1.06238465,-0.69164284

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450549/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.57104

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-4.82896

>  <SCORE.INTRA.DIHEDRAL>
-11.5753

>  <SCORE.INTRA.DIHEDRAL.0>
16.3744

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.958701

>  <SCORE.INTRA.VDW.0>
-2.63969

>  <SCORE.INTRA.norm>
-0.193158

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.262842

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000603

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  208.3976  205.4734  249.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7268  206.2495  249.6889 Si  0  0  1  0  0  0  0  0  0  0  0  0
  206.1700  206.7212  251.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1681  207.9000  251.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8017  209.0213  249.9029 Si  0  0  2  0  0  0  0  0  0  0  0  0
  206.6208  207.8163  248.9922 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9082  210.3550  250.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3627  209.6439  248.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7035  210.8417  249.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6073  211.2825  248.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1581  210.5396  247.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8096  209.3627  247.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9036  208.9162  247.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3808  205.1910  248.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9935  203.9674  249.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0366  203.1610  248.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4468  203.5649  247.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7997  204.7901  247.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7569  205.6000  247.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
66.30643609,87.84660767,205.04551564,207.42656139,249.07832433,-1.24891464
-0.62938141,0.15294419

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450550/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.21966

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.180336

>  <SCORE.INTRA.DIHEDRAL>
-0.0112838

>  <SCORE.INTRA.DIHEDRAL.0>
2.378

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.174695

>  <SCORE.INTRA.VDW.0>
-1.85763

>  <SCORE.INTRA.norm>
-0.00949139

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.379982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011680

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  218.6798  177.1440  247.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8899  178.4279  247.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2517  178.4371  245.6559 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.7007  178.4407  245.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9447  178.2870  244.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1841  176.9279  243.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4408  178.4783  244.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8072  179.6353  244.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3679  179.6324  243.5126 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6897  178.8186  243.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <CHROM.1>
68.11986594,-173.24943240,174.10098403,64.84306276,-61.02313154,217.37102843
178.38158375,245.23864566,0.60790313,0.37773160,2.06423852

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450551/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.06413

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04444

>  <SCORE.INTRA>
-0.335872

>  <SCORE.INTRA.DIHEDRAL>
0.440198

>  <SCORE.INTRA.DIHEDRAL.0>
0.432946

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.555971

>  <SCORE.INTRA.VDW.0>
0.312138

>  <SCORE.INTRA.norm>
-0.0373191

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
1.00713

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001719

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  196.7969  213.4617  246.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6729  214.2375  247.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1125  215.5373  247.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6564  216.4050  246.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0993  217.7261  246.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0162  218.1946  246.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5018  217.3351  247.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0727  215.9907  248.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7120  215.1841  249.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1979  213.8518  249.3745 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6492  213.0804  250.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5239  213.4615  251.1859 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9397  211.7540  250.6419 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.9768  210.9057  249.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5509  210.4026  249.0577 N   0  3  1  0  0  0  0  0  0  0  0  0
  196.5853  209.8245  248.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0668  209.5374  250.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0548  210.3813  251.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4889  211.8260  251.1704 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.5309  212.3864  250.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6572  211.6143  248.7616 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.2848  211.2669  248.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3214  210.6234  246.8378 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5967  210.9308  245.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9086  209.9393  244.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8164  209.0899  245.4089 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0492  209.5106  246.6503 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4970  209.7890  243.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6385  209.8835  242.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1047  209.7579  240.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2999  210.9728  240.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0513  212.2871  240.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6877  212.4212  241.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4656  211.1743  242.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4699  213.5587  248.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  6  0  0  0
 13 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 21  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <CHROM.1>
53.09037969,-6.32237432,-175.59169461,55.88462557,-62.62875850,-132.62588900
114.49460068,-178.31997718,196.12173165,212.41215798,246.85112022,-2.71537092
1.08586906,2.25240073

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450552/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.94506

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-4.45494

>  <SCORE.INTRA.DIHEDRAL>
-1.58928

>  <SCORE.INTRA.DIHEDRAL.0>
10.1244

>  <SCORE.INTRA.POLAR>
0.00426729

>  <SCORE.INTRA.POLAR.0>
-1.62298

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.67481

>  <SCORE.INTRA.VDW.0>
-0.416824

>  <SCORE.INTRA.norm>
-0.134998

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.271062

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000151

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  190.4243  221.2293  248.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5983  220.6072  247.7977 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.9890  220.3866  248.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0877  220.9164  247.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6895  222.1412  247.0327 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.0472  221.3068  246.5204 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.3766  222.2094  244.9847 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.8657  223.2863  244.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3042  223.1924  245.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7205  222.0573  245.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0540  220.7893  244.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3062  220.1278  245.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8956  218.9898  245.5799 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2530  220.3324  244.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.8245  223.4605  246.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9641  223.1522  248.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0414  219.5237  249.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0524  219.0427  250.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2750  219.4263  250.2013 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7178  221.1185  243.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.3187  218.9020  251.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  1  0  0  0
  6 12  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
-3.87998894,-27.46420841,176.83676187,192.79459124,221.13652444,246.91604799
1.62397510,1.23079262,2.00183108

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450553/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.61558

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-1.78442

>  <SCORE.INTRA.DIHEDRAL>
-2.80106

>  <SCORE.INTRA.DIHEDRAL.0>
7.2111

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.383885

>  <SCORE.INTRA.VDW.0>
-0.0629158

>  <SCORE.INTRA.norm>
-0.0939166

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.242926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000669

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  215.9935  181.7503  242.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0866  181.3349  241.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5096  180.5756  240.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8706  180.2196  240.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7719  180.6371  241.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3327  181.4018  242.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4515  181.9278  244.0010 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.5971  179.3911  239.4018 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  214.5487  180.1906  239.8393 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1775  180.5300  239.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7177  179.8890  238.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8069  179.1917  238.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9067  179.3643  238.8227 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4069  179.9127  238.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3398  179.9411  237.6197 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.5931  181.3332  240.7090 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3801  181.5647  240.5406 N   0  3  0  0  0  0  0  0  0  0  0  0
  210.2715  181.7952  240.4130 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  3  0  0  0  0
 16 17  2  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
>  <CHROM.1>
3.58413413,179.85485283,214.96291977,180.62254809,240.58397917,0.51407198
-0.20506106,1.01005674

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450570/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.514599

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-7.9146

>  <SCORE.INTRA.DIHEDRAL>
-17.6181

>  <SCORE.INTRA.DIHEDRAL.0>
17.7012

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.89444

>  <SCORE.INTRA.VDW.0>
-1.32681

>  <SCORE.INTRA.norm>
-0.4397

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
-0.0285888

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000314

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  192.6386  214.8477  258.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4775  213.5841  258.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2814  213.3369  257.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1170  212.0612  257.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9333  211.7340  256.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0558  211.4265  255.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7591  210.1112  255.1009 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9625  209.8234  254.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4411  210.8078  253.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7133  212.1130  253.4357 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5593  212.4146  254.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9391  213.7435  254.6189 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9115  214.6739  254.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5957  214.3273  254.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5954  215.2997  254.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8954  216.6140  254.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1926  216.9533  254.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2028  215.9835  254.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
-179.89548410,178.87994539,-64.65747740,-93.32353849,-132.23203624,24.38508416
193.86088133,213.32039966,255.47466586,-2.82146283,1.18910363,-1.82920173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450571/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.34089

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-2.05911

>  <SCORE.INTRA.DIHEDRAL>
-0.0382748

>  <SCORE.INTRA.DIHEDRAL.0>
4.36883

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.03997

>  <SCORE.INTRA.VDW.0>
-0.153887

>  <SCORE.INTRA.norm>
-0.114395

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.518939

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002558

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  188.4432  218.5216  266.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8153  219.9569  265.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7306  220.1492  264.3911 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5188  217.5433  265.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5970  217.5337  264.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.7529  220.1360  264.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1785  219.3665  263.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.7431  217.1312  263.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3578  216.9238  263.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <CHROM.1>
69.78806563,-64.87172278,70.55907938,-67.52770668,189.02019552,218.72177808
265.21687597,2.61272068,1.19581743,-0.94109027

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450572/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.71664

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.88

>  <SCORE.INTRA>
-1.68336

>  <SCORE.INTRA.DIHEDRAL>
0.736157

>  <SCORE.INTRA.DIHEDRAL.0>
0.0175692

>  <SCORE.INTRA.POLAR>
-0.760577

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.534517

>  <SCORE.INTRA.VDW.0>
-0.178373

>  <SCORE.INTRA.norm>
-0.336673

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.54333

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.125381

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  189.1816  219.2480  254.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1515  219.2461  253.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2342  220.2946  252.5106 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0228  217.9438  252.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9971  217.9555  251.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8671  216.7634  250.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7634  215.5520  250.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7942  215.5302  252.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9248  216.7215  253.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
-179.94893159,189.00052253,217.77044204,252.32131843,0.33843632,1.47681122
1.78479260

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450573/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39312

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.00687562

>  <SCORE.INTRA.DIHEDRAL>
-0.0206877

>  <SCORE.INTRA.DIHEDRAL.0>
0.020742

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00346822

>  <SCORE.INTRA.VDW.0>
0.969939

>  <SCORE.INTRA.norm>
-0.000763958

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.710347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.072570

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  201.9462  221.2765  241.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0013  219.8851  241.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2212  219.2043  242.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3695  219.9167  243.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2862  221.3067  243.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0855  221.9934  242.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3573  222.0986  244.4556 N   0  3  0  0  0  0  0  0  0  0  0  0
  199.3677  221.9321  245.6845 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6513  222.9119  243.8490 O   0  5  0  0  0  0  0  0  0  0  0  0
  199.3689  219.0140  244.9384 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.0763  219.0245  246.1965 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0127  219.5076  244.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3714  217.4941  244.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9634  217.4779  243.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <CHROM.1>
96.95155780,-61.72032304,199.93449849,220.26860985,244.12180541,-0.96448815
-0.81434781,2.96304580

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450574/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.84919

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.492308

>  <SCORE.INTRA>
-0.550808

>  <SCORE.INTRA.DIHEDRAL>
-0.335213

>  <SCORE.INTRA.DIHEDRAL.0>
1.63882

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.383202

>  <SCORE.INTRA.VDW.0>
-0.800524

>  <SCORE.INTRA.norm>
-0.0423699

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.449938

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002250

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  215.5581  186.2595  250.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7488  187.0415  250.9675 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.2306  187.3190  249.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4963  188.6677  249.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0221  189.0606  248.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3162  188.1106  247.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0172  186.7596  247.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4896  186.3717  248.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9268  188.5008  245.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2322  189.8104  245.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9113  189.9307  244.1399 S   0  0  0  0  0  0  0  0  0  0  0  0
  219.7940  188.2089  243.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2276  187.5880  244.9794 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3239  187.6235  242.8488 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4464  186.7373  243.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2631  186.5471  241.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4701  185.9793  240.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1228  186.7816  240.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3869  187.0622  241.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2539  186.3507  239.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6957  185.5040  238.5485 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.5514  187.6565  239.1106 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2147  184.4781  240.7348 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4351  183.9712  239.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0747  182.4899  239.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3307  181.6440  239.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1368  182.1400  241.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4173  183.6446  240.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1555  188.1903  239.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.8274  188.1813  238.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
128.49320630,-0.50798916,114.96262019,119.70479693,178.88020537,62.85036758
219.89230364,186.62031353,243.78311810,2.67331419,1.09725512,0.19067672

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450575/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78777

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.61223

>  <SCORE.INTRA.DIHEDRAL>
-5.0801

>  <SCORE.INTRA.DIHEDRAL.0>
9.32979

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.07218

>  <SCORE.INTRA.VDW.0>
3.45984

>  <SCORE.INTRA.norm>
-0.200437

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.206706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000166

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  212.5729  183.9972  263.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3818  184.9848  262.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5833  184.2986  260.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3928  185.2859  259.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5934  184.5919  258.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4031  185.5769  257.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6054  184.8818  255.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4158  185.8625  254.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5959  185.1930  253.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5338  185.5644  252.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7205  184.9054  251.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5219  185.8777  250.2230 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6620  185.4024  248.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8963  184.2343  248.6686 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.4092  186.4337  247.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0665  187.7281  248.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7581  188.7427  247.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7683  188.4725  246.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0889  187.1911  245.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4125  186.1700  246.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7222  184.6101  245.8827 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
-179.98623521,-179.89837434,179.97902900,179.94473803,179.98357154,-179.36447501
-120.09057916,119.55392793,-179.90740174,2.34605905,-0.07799645,213.05345357
185.59016291,252.36589502,-1.81552209,1.29677615,-1.22449417

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450576/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.7845

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.780952

>  <SCORE.INTRA>
-3.61549

>  <SCORE.INTRA.DIHEDRAL>
-8.85088

>  <SCORE.INTRA.DIHEDRAL.0>
8.91238

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.809955

>  <SCORE.INTRA.VDW.0>
-0.800632

>  <SCORE.INTRA.norm>
-0.172166

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.608786

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007830

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 40 45  0  0  0  0  0  0  0  0999 V2000
  191.0710  209.9187  253.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7950  208.9967  252.3897 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3898  207.6911  252.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4952  206.8395  252.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3398  205.5044  251.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0638  204.9922  251.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9610  205.8098  251.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0775  207.1807  252.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7366  207.9133  252.3547 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.6854  207.6431  251.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5587  207.1804  251.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6752  207.2502  253.2336 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0045  207.5851  253.5899 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2445  208.1705  254.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4671  208.9963  255.3297 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4429  207.7224  255.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0010  208.1391  256.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1015  207.2813  256.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1787  206.4193  255.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2092  206.6994  255.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4265  206.5315  251.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7888  205.4393  251.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8086  204.3484  251.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2888  204.1159  250.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2549  203.1554  250.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8989  202.5697  251.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5341  202.9194  252.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4548  203.7686  252.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6041  202.3314  253.8934 Br  0  0  0  0  0  0  0  0  0  0  0  0
  185.9296  205.0552  249.3171 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5315  206.3325  249.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4058  207.2668  248.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3436  205.2589  251.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8157  203.9711  251.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4754  203.7812  250.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6398  204.8745  250.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1419  206.1616  250.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4769  206.3508  251.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3000  206.4513  253.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.2009  204.9429  248.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 31  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 40  1  0  0  0  0
 31 32  2  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
-150.46976646,131.24419622,137.55175845,106.39708221,176.11334322,143.63824035
187.65469931,205.72001561,252.53415046,0.27657786,-0.43619790,0.00409108

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450577/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.54229

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.3

>  <SCORE.INTRA>
-4.85771

>  <SCORE.INTRA.DIHEDRAL>
-3.81315

>  <SCORE.INTRA.DIHEDRAL.0>
10.2039

>  <SCORE.INTRA.POLAR>
0.167174

>  <SCORE.INTRA.POLAR.0>
-0.167174

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.51952

>  <SCORE.INTRA.VDW.0>
-4.07933

>  <SCORE.INTRA.norm>
-0.127834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.172166

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  194.4529  209.0544  248.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4941  209.7258  249.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5271  208.9308  247.3495 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3492  208.3735  247.7374 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.1849  208.4311  248.5010 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0813  207.7499  248.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0403  207.0785  247.0492 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0070  207.8739  248.8890 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3735  209.4142  247.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5167  208.3857  246.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.3148  207.8167  246.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2193  208.9878  249.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0174  208.4186  249.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1605  207.3896  248.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.97571483,192.76710432,208.40222019,248.11937590,0.17233261,0.30205792
1.00158749

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450578/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39999

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-9.03822e-06

>  <SCORE.INTRA.DIHEDRAL>
-1.95699e-05

>  <SCORE.INTRA.DIHEDRAL.0>
4.89099e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
7.46708e-07

>  <SCORE.INTRA.VDW.0>
-0.201398

>  <SCORE.INTRA.norm>
-1.12978e-06

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.799999

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001367

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  206.2572  188.7074  247.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7476  189.8412  247.4025 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8340  188.4360  247.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1895  187.5760  246.9322 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.7341  187.8953  249.0104 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.0848  189.5728  247.7817 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.9881  187.4558  246.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3359  187.6034  247.1268 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.6427  186.4054  247.7916 F   0  0  0  0  0  0  0  0  0  0  0  0
  206.6412  187.0066  245.3105 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <CHROM.1>
136.54392957,21.95828590,205.98576918,187.90927576,247.16154436,-2.44269392
-0.08096061,-2.40458152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450580/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.81183

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.588167

>  <SCORE.INTRA.DIHEDRAL>
-0.00227371

>  <SCORE.INTRA.DIHEDRAL.0>
1.44088

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.587031

>  <SCORE.INTRA.VDW.0>
-0.690931

>  <SCORE.INTRA.norm>
-0.0588167

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.681183

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.146118

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  214.7598  191.9547  242.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8447  190.9138  243.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0670  189.9320  241.6859 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.3141  188.8398  242.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8868  188.8650  243.3734 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9049  187.9414  243.3933 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9072  187.3631  242.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8945  187.8636  241.3978 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7025  187.3511  240.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5028  186.3416  239.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1260  185.9391  238.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0630  186.7026  237.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5194  187.8398  239.0128 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.4088  186.5396  236.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3026  185.6771  235.5739 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.8411  184.4434  236.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7579  184.8646  237.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5618  185.2393  234.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5916  185.8341  240.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4844  184.9041  240.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2749  184.8135  241.3868 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8361  185.6884  242.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7537  186.3666  241.7549 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.5002  185.9647  243.8417 S   0  0  0  0  0  0  0  0  0  0  0  0
  222.8581  184.7529  243.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5687  184.8434  245.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 23  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  6  0  0  0
 16 17  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-179.68173794,-1.90615179,-0.75641713,-179.61791628,218.48071570,186.99124144
240.71219091,2.36867835,0.68779941,-2.09231028

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450594/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72814

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-0.671863

>  <SCORE.INTRA.DIHEDRAL>
-1.82097

>  <SCORE.INTRA.DIHEDRAL.0>
1.82494

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.238622

>  <SCORE.INTRA.VDW.0>
-0.52368

>  <SCORE.INTRA.norm>
-0.0258409

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.335698

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 28  0  0  0  0  0  0  0  0999 V2000
  198.4316  199.9313  249.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4549  201.4952  249.4442 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.9142  201.9507  250.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9444  201.6864  251.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1803  202.5631  251.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3947  203.1197  250.3820 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.9145  202.0562  249.2846 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1459  202.6252  247.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5515  201.8722  246.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0214  201.5557  246.7615 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.5264  201.9740  248.2441 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.0997  201.4226  248.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4200  201.8941  247.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4280  201.3624  246.2018 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.9052  200.1238  245.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5520  200.4972  244.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8587  201.8054  243.8793 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6731  202.2617  245.0032 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.0902  201.7244  245.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9074  203.4172  250.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6659  204.4927  250.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7991  204.8007  249.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0785  205.3283  251.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4334  206.6029  251.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  6  0  0  0
  6 21  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
-123.34771965,-179.11261006,198.33114340,202.40800514,248.41362331,2.80742739
-1.00808802,-0.83583555

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450595/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.14956

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-0.250441

>  <SCORE.INTRA.DIHEDRAL>
-0.488919

>  <SCORE.INTRA.DIHEDRAL.0>
0.520615

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00598189

>  <SCORE.INTRA.VDW.0>
1.87142

>  <SCORE.INTRA.norm>
-0.0104351

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.297898

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009597

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  220.6757  192.5586  253.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8997  191.7745  252.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5040  190.5963  251.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7264  189.8003  251.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3200  188.6183  250.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5541  187.8394  249.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.2088  186.6362  249.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4954  185.9093  248.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2631  184.6560  247.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4453  183.5865  248.6157 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.1661  182.3943  247.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1962  183.2209  249.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.6028  182.2025  250.9726 Si  0  0  0  0  0  0  0  0  0  0  0  0
  223.6604  180.4016  250.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5553  182.4343  252.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7769  182.6352  251.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5309  184.0960  251.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
-179.92560479,179.71402671,179.89162312,179.46022192,-179.17693901,178.34116254
-63.05235930,176.39483750,173.46016270,77.37868847,-53.16494478,223.01194604
185.60681723,250.50474767,2.14459607,1.19432114,-0.33786435

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450596/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.6983

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.964706

>  <SCORE.INTRA>
-1.70169

>  <SCORE.INTRA.DIHEDRAL>
0.273941

>  <SCORE.INTRA.DIHEDRAL.0>
0.409594

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.83866

>  <SCORE.INTRA.VDW.0>
-0.26794

>  <SCORE.INTRA.norm>
-0.100099

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.864607

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038752

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  200.8509  216.9697  246.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5103  215.8315  247.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4089  215.7243  247.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2824  216.5357  248.1959 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.0404  217.8360  247.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0772  216.0012  248.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6032  214.7708  247.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6038  213.9218  248.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7016  214.7303  246.1063 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.0786  214.4829  246.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5178  215.5354  247.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1223  216.7190  247.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5472  217.6919  248.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3752  217.4923  249.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7767  216.3211  250.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3530  215.3456  249.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3782  213.5730  245.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0631  213.7972  244.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9875  214.1287  243.2265 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0124  213.5341  245.2336 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6507  213.6727  244.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3656  212.6812  243.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7274  213.3196  245.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3610  215.1235  244.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <CHROM.1>
165.26259317,134.54566282,-60.40973042,61.87770777,-82.91430182,106.67727851
-179.27336812,63.39131270,201.19351323,215.20936766,246.73260608,0.54712632
-0.04305561,0.92895321

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450597/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.04165

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.558333

>  <SCORE.INTRA>
-4.35835

>  <SCORE.INTRA.DIHEDRAL>
-0.134789

>  <SCORE.INTRA.DIHEDRAL.0>
5.48612

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.29095

>  <SCORE.INTRA.VDW.0>
1.83764

>  <SCORE.INTRA.norm>
-0.181598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.376736

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.110734

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  211.4210  185.9185  252.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4970  184.6356  251.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1325  183.4410  252.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2237  182.2091  251.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6767  182.1534  249.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0007  183.3921  249.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9207  184.6034  250.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5033  183.5506  247.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9769  180.4713  249.1155 Si  0  5  0  0  0  0  0  0  0  0  0  0
  211.0470  180.2637  247.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8015  180.2938  248.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1988  179.6967  247.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5542  179.7162  246.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5463  180.2500  247.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1849  180.7255  249.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8433  180.7283  249.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6568  181.2074  250.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9721  180.3121  247.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2949  178.9806  246.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7731  181.0091  252.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   9  -1
M  END
>  <CHROM.1>
115.55125261,-140.98202565,213.24877322,181.68056237,249.42214399,-2.27828316
-0.27439481,-2.60432094

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450598/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.62069

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.779315

>  <SCORE.INTRA.DIHEDRAL>
-0.149561

>  <SCORE.INTRA.DIHEDRAL.0>
1.74322

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.704534

>  <SCORE.INTRA.VDW.0>
-1.27121

>  <SCORE.INTRA.norm>
-0.0410166

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.348457

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004319

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  199.4230  203.0860  247.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5851  202.5427  248.1775 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6298  201.4513  248.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7992  201.2197  249.4968 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.6058  202.2333  249.0376 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8746  203.0427  248.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4586  204.3333  247.2807 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.0189  202.3211  249.4517 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9454  202.1208  248.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3017  202.7302  248.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3288  202.2071  248.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2908  204.0208  249.3139 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.6124  203.6343  250.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3475  203.4885  251.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2970  203.6456  250.2129 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.9645  204.5599  249.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4378  200.5721  249.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5576  201.0984  250.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9096  200.8923  251.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0868  201.3538  252.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9002  202.0214  252.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5281  202.2139  251.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3482  201.7513  250.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  6  0  0  0
  8 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  6  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-83.27020985,115.18395845,-80.53255632,202.10762315,202.59392129,249.47265903
2.88755448,0.15613467,1.81585204

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450599/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.47252

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.365217

>  <SCORE.INTRA>
-0.927476

>  <SCORE.INTRA.DIHEDRAL>
-0.179881

>  <SCORE.INTRA.DIHEDRAL.0>
4.59783

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.837536

>  <SCORE.INTRA.VDW.0>
-1.85031

>  <SCORE.INTRA.norm>
-0.0403251

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.324892

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003988

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  212.1314  197.0809  246.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7040  197.5817  244.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8788  197.0313  244.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4998  197.5639  243.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9413  198.7088  242.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6827  199.1926  242.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0843  198.6048  244.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8811  200.3024  242.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0597  199.7307  241.5349 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.4274  199.6209  241.9918 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.7495  199.3615  240.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6367  201.3969  241.7278 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.0385  202.0227  243.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7808  201.2226  244.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4062  200.1258  244.6541 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9089  199.6721  245.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8438  200.4148  246.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4450  201.6675  245.2880 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.4846  198.5299  246.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4318  197.8838  246.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.8555  198.2790  247.7771 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3848  197.1601  248.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0783  202.2213  240.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5567  201.9939  240.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9636  202.7558  238.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0460  202.4106  237.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6044  202.7574  238.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1375  202.0244  239.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7653  196.8959  242.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-26.22035284,75.27597217,-44.33699620,-50.97435884,69.91383687,-0.92894403
179.10018709,214.60528665,199.86883132,243.16452556,-2.70954945,1.42106644
0.04759190

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450600/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.0748

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.427586

>  <SCORE.INTRA>
-3.3252

>  <SCORE.INTRA.DIHEDRAL>
0.39493

>  <SCORE.INTRA.DIHEDRAL.0>
3.72955

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.52266

>  <SCORE.INTRA.VDW.0>
-2.52562

>  <SCORE.INTRA.norm>
-0.114662

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.312924

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000027

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 25  0  0  0  0  0  0  0  0999 V2000
  205.7823  204.5753  250.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9110  204.1189  250.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2241  202.6282  250.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3305  202.3136  251.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8389  202.3662  253.1978 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.6609  202.2951  253.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3890  203.2718  253.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8637  201.2894  253.6267 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.8785  201.0318  255.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8713  199.9888  255.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2368  198.8139  255.7145 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5755  200.4166  255.6204 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5071  199.5584  256.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2361  199.6709  255.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6210  201.0718  255.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3512  201.1617  254.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4724  201.5976  253.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6958  200.5932  252.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4010  200.8418  252.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8609  202.1116  252.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6116  203.1264  252.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9041  202.8668  253.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5551  203.8651  253.8951 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3438  201.3967  255.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.0258  204.6819  253.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  1   5   1
M  END
>  <CHROM.1>
-177.99685370,70.85502233,-171.09706789,154.82004045,178.33241393,133.88458501
98.46041946,-137.32645821,-63.67969661,-179.31795726,178.04196338,205.00795025
201.64527169,253.51717446,0.86228851,0.02659327,-0.85740266

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450601/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.29012

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.733333

>  <SCORE.INTRA>
-6.10988

>  <SCORE.INTRA.DIHEDRAL>
-2.67278

>  <SCORE.INTRA.DIHEDRAL.0>
7.94957

>  <SCORE.INTRA.POLAR>
-0.652835

>  <SCORE.INTRA.POLAR.0>
-0.230268

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.55385

>  <SCORE.INTRA.VDW.0>
-3.05135

>  <SCORE.INTRA.norm>
-0.290947

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.442387

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000415

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  200.5903  218.4237  257.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8464  219.0466  256.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9445  218.6657  255.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8132  217.6649  255.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5787  217.0326  257.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4425  217.4096  257.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0320  216.8620  259.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6972  216.0210  259.8778 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9676  217.4591  259.8643 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9589  215.6069  257.9947 I   0  0  0  0  0  0  0  0  0  0  0  0
  204.4220  217.2312  254.6802 I   0  0  0  0  0  0  0  0  0  0  0  0
  199.5891  220.5521  255.5943 I   0  0  0  0  0  0  0  0  0  0  0  0
  199.7305  217.1364  260.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <CHROM.1>
-176.71766404,-176.51757933,202.35175660,217.74346778,256.51425521,2.57055118
0.58909451,-1.00587774

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450666/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.44321

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-2.95679

>  <SCORE.INTRA.DIHEDRAL>
-5.49062

>  <SCORE.INTRA.DIHEDRAL.0>
5.62796

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.211477

>  <SCORE.INTRA.VDW.0>
1.0244

>  <SCORE.INTRA.norm>
-0.246399

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.286934

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000343

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  200.2992  192.3405  248.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6396  193.0129  248.0539 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.6958  191.9466  247.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1028  190.8753  246.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4659  191.4903  245.5493 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.9441  193.0057  245.6282 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4268  193.8774  246.8054 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.5379  195.0247  247.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8483  195.0382  248.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0534  194.1064  249.0368 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3078  193.5792  250.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2884  193.5358  244.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5742  192.6939  243.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0636  191.4627  243.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3683  190.6452  244.7671 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8660  189.2423  244.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8281  188.5483  243.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6041  189.3616  242.1236 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.1898  190.7988  242.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5968  188.7385  241.3277 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1000  190.3608  245.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0610  192.9543  250.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.9214  187.8602  241.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  6  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
62.11914804,-62.81868877,200.73859341,191.85850979,245.72284441,-0.59264754
1.23402355,-3.12327273

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450667/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.74898

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.257143

>  <SCORE.INTRA>
-0.651019

>  <SCORE.INTRA.DIHEDRAL>
-0.919723

>  <SCORE.INTRA.DIHEDRAL.0>
1.12862

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.191158

>  <SCORE.INTRA.VDW.0>
0.116784

>  <SCORE.INTRA.norm>
-0.0310009

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.226142

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001159

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 17  0  0  0  0  0  0  0  0999 V2000
  191.9855  211.4784  246.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4947  211.4162  247.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2100  210.2312  246.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7713  208.9331  246.9907 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8615  208.1645  246.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2698  208.4301  245.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6556  206.9428  247.1174 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.4369  205.5489  246.5633 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.8154  204.7069  247.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0090  204.5442  248.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1418  205.3359  247.9729 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0504  206.8070  247.6725 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.3472  208.2271  248.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0522  208.6122  248.9700 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7757  204.9464  246.5784 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  2  0  0  0  0
M  END
>  <CHROM.1>
-62.18559906,99.96607148,193.32392166,207.64897742,247.21846391,1.51992720
-0.76153384,-0.14762059

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450668/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.81462

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-0.58538

>  <SCORE.INTRA.DIHEDRAL>
-1.29041

>  <SCORE.INTRA.DIHEDRAL.0>
3.06264

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0598238

>  <SCORE.INTRA.VDW.0>
-0.894403

>  <SCORE.INTRA.norm>
-0.0390253

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.454308

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.014385

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  188.6211  210.8577  261.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5811  211.0460  262.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7139  211.7695  262.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1851  212.4779  261.7410 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3555  213.2151  261.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0920  213.3174  262.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6748  213.9074  260.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2314  210.3444  264.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9261  210.4098  265.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6554  212.4651  260.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
179.99892953,190.84612392,211.94401514,262.58147803,2.43837491,0.53877223
1.93063540

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450669/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95212

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.711111

>  <SCORE.INTRA>
-0.44788

>  <SCORE.INTRA.DIHEDRAL>
-1.352e-05

>  <SCORE.INTRA.DIHEDRAL.0>
1.35227e-05

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.447873

>  <SCORE.INTRA.VDW.0>
0.648826

>  <SCORE.INTRA.norm>
-0.0497644

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.661347

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005514

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  194.5848  224.5323  259.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7884  223.9865  258.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9042  225.0547  257.4852 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3465  224.7791  256.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7651  223.5630  255.9218 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.7472  222.5898  256.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3009  222.6455  258.0835 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4034  221.5839  259.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2781  220.4965  258.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2743  219.3652  259.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4560  219.3116  260.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6517  220.4084  261.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6269  221.5043  260.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4530  218.1225  261.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9020  216.8948  261.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4370  217.0549  260.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0769  215.8704  259.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6552  214.8309  260.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2105  216.1086  258.4271 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4743  216.3568  257.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5328  215.4841  258.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8072  215.7044  257.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0421  216.8071  256.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9951  217.6730  256.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7096  217.4374  256.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4415  218.6052  256.6004 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.1628  218.0667  257.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8856  219.9291  257.0123 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.3721  218.6609  255.0125 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.1812  221.4060  256.2625 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.3552  225.7615  255.3877 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2640  223.9940  258.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3916  216.5171  257.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.5656  221.5280  255.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5059  220.6550  256.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9692  226.6225  255.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.9470  225.4581  254.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
>  <CHROM.1>
-1.44498717,7.98901708,-157.37912912,-66.32355834,-65.16921202,172.06005512
89.65865071,65.40400326,49.51138850,-12.94881988,193.72943239,219.79611937
258.12802779,-0.49332145,1.44038233,1.87373973

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450670/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.45656

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-7.94344

>  <SCORE.INTRA.DIHEDRAL>
-1.24052

>  <SCORE.INTRA.DIHEDRAL.0>
9.06914

>  <SCORE.INTRA.POLAR>
-0.999021

>  <SCORE.INTRA.POLAR.0>
-0.495249

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.9265

>  <SCORE.INTRA.VDW.0>
-2.0126

>  <SCORE.INTRA.norm>
-0.248232

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.233018

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 33  0  0  0  0  0  0  0  0999 V2000
  232.6162  179.3199  237.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.5065  180.0177  238.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.3210  181.3904  238.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.2935  182.0502  239.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.4299  181.3759  239.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.6359  179.9971  240.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.6497  179.3224  239.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.4338  182.0344  240.6162 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.5411  181.3503  241.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6322  182.0214  242.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4183  183.4909  242.9005 N   0  0  0  0  0  0  0  0  0  0  0  0
  228.2753  184.1675  241.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2153  183.4835  240.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4076  184.1618  243.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6557  185.1201  243.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5979  185.8237  243.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3501  185.5511  245.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1334  184.5574  245.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0481  184.1602  246.9572 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.0304  183.2315  247.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3665  182.5057  248.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.4166  181.5877  248.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.1435  181.4247  247.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.8462  182.1761  245.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7526  183.0535  245.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1450  183.8991  244.9952 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3178  186.2362  245.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4699  186.8281  246.2941 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.8038  186.8462  242.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 26  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  3  0  0  0  0
M  END
>  <CHROM.1>
-178.36089132,-135.49501161,227.34537382,183.00009541,243.19542509,-0.56143297
-0.80807769,1.88321652

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450671/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.79756

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.255172

>  <SCORE.INTRA>
-1.60244

>  <SCORE.INTRA.DIHEDRAL>
-6.54784

>  <SCORE.INTRA.DIHEDRAL.0>
12.194

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.67148

>  <SCORE.INTRA.VDW.0>
-0.303771

>  <SCORE.INTRA.norm>
-0.0552566

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.199916

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002744

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  201.8576  197.4856  244.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3825  196.9627  246.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6115  196.0451  246.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6630  196.1249  248.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9408  195.2649  248.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1247  194.2887  248.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3930  193.4418  249.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4836  193.5421  250.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3358  194.5405  251.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0449  195.3918  250.2615 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7313  192.6483  251.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8766  191.6491  251.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1904  190.8381  251.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2954  190.9389  253.2347 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1209  191.8959  253.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8404  192.7582  252.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0693  194.1933  246.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8157  195.0739  246.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2625  193.2034  246.4013 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4654  193.5234  245.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 18  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
-143.91930520,-0.28233683,138.64148732,199.79132624,194.02406703,249.04890154
-0.94796459,0.83878715,1.66138182

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450673/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.63589

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-0.764107

>  <SCORE.INTRA.DIHEDRAL>
2.41227

>  <SCORE.INTRA.DIHEDRAL.0>
1.37111

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.97024

>  <SCORE.INTRA.VDW.0>
4.34742

>  <SCORE.INTRA.norm>
-0.0382054

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.381795

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006964

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  188.2430  208.5093  259.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5621  207.3727  259.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4773  207.5637  258.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2020  207.0119  256.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1817  207.1047  255.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3699  207.8081  255.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6210  208.3705  257.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6921  208.2294  258.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9281  206.5109  254.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6416  205.3124  254.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8651  206.4004  256.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5326  206.1869  255.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0159  206.1449  257.4617 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.6548  205.7161  257.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7271  206.8751  256.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1718  207.0648  255.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3378  208.1560  255.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0426  209.0538  256.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5656  208.8656  257.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4030  207.7761  258.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0276  210.4079  256.1717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.3019  206.4404  258.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-135.21156960,164.28754261,-106.32754794,-83.21619512,110.08465759,186.97138479
207.62633300,256.73268120,-0.13310559,-0.23061881,1.07654430

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450698/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.42846

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-2.97154

>  <SCORE.INTRA.DIHEDRAL>
0.541975

>  <SCORE.INTRA.DIHEDRAL.0>
8.5777

>  <SCORE.INTRA.POLAR>
-0.275151

>  <SCORE.INTRA.POLAR.0>
-0.433455

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.30701

>  <SCORE.INTRA.VDW.0>
2.38986

>  <SCORE.INTRA.norm>
-0.141502

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.353736

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000044

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  204.0160  194.7929  243.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7029  193.6331  243.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0144  193.1556  245.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9682  194.2051  246.2922 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7393  194.1783  247.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2970  195.5772  247.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9105  196.4717  246.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1506  194.6834  246.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8731  194.1792  247.7443 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5870  195.8421  246.2788 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4709  193.3000  248.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.3247  195.7029  245.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.8035  196.3214  245.8474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-62.13179069,144.52346828,-146.43904754,-83.03242154,64.03354588,-101.45623935
204.02647313,194.69438225,246.04504582,0.97984556,0.39495726,-1.78247111

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450700/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.78153

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-2.61847

>  <SCORE.INTRA.DIHEDRAL>
-1.65307

>  <SCORE.INTRA.DIHEDRAL.0>
4.16483

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79194

>  <SCORE.INTRA.VDW.0>
-0.294308

>  <SCORE.INTRA.norm>
-0.261847

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.878153

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.030715

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  190.6331  218.3741  255.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0850  218.0002  255.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0206  218.9854  255.6198 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.5598  218.9455  256.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5292  219.9463  256.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2881  220.0727  258.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0721  219.2028  259.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0474  218.2584  259.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2845  218.1054  257.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8216  219.3567  260.4211 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.5237  218.5636  261.4847 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.1587  218.6743  262.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2443  219.6206  262.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1204  220.3795  262.7779 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8054  217.7881  263.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8811  216.9942  263.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5436  218.1216  264.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2359  217.4026  266.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1669  217.9201  267.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5016  220.6542  255.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2091  221.7668  255.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9425  222.2305  253.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9896  221.6012  253.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2802  220.4941  253.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5493  220.0375  254.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5081  220.1117  260.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  3  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
91.20866758,175.33464029,-178.54029008,-3.78102554,176.19236226,179.94651253
194.82955221,219.20760896,259.20355584,1.95760186,-0.69088886,-1.11712492

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450701/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.02597

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.456

>  <SCORE.INTRA>
-5.37403

>  <SCORE.INTRA.DIHEDRAL>
-10.9592

>  <SCORE.INTRA.DIHEDRAL.0>
13.3006

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0011444

>  <SCORE.INTRA.REPUL.0>
0.0011444

>  <SCORE.INTRA.VDW>
0.111289

>  <SCORE.INTRA.VDW.0>
-0.505032

>  <SCORE.INTRA.norm>
-0.214961

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.241039

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002059

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  9  0  0  0  0  0  0  0  0999 V2000
  211.9909  188.8517  235.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9996  189.6280  235.8159 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6095  189.1695  236.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9165  188.0960  237.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1128  188.2299  238.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3586  189.3723  238.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6625  189.9463  237.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3731  190.0064  239.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7703  191.0383  239.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
0.13217964,179.95640441,209.97374343,189.42333163,237.73060099,0.40103450
0.79993401,-0.88435072

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450702/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35371

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.0462902

>  <SCORE.INTRA.DIHEDRAL>
-0.0463589

>  <SCORE.INTRA.DIHEDRAL.0>
0.0465159

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0231107

>  <SCORE.INTRA.VDW.0>
0.7435

>  <SCORE.INTRA.norm>
-0.00514335

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.817079

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001476

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  206.8791  191.4164  248.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0108  192.4495  248.2123 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.3511  193.8460  248.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3080  195.0296  247.9815 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1566  195.1320  249.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3258  194.4631  249.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2661  193.0735  249.8238 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.1680  192.1084  249.2006 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.0246  191.0012  248.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0189  190.8488  249.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0870  189.8197  250.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0398  189.7728  251.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0830  188.6912  250.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5840  192.2355  249.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5157  194.9378  248.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1561  194.7691  246.8487 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5653  194.7330  245.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3800  194.9192  245.3992 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5958  194.4033  244.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  6  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 14  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
67.89018556,1.07151841,209.53273263,192.83212924,248.49192556,2.01048783
-0.52790261,-0.50491842

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450703/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.09534

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-0.304661

>  <SCORE.INTRA.DIHEDRAL>
-1.10066

>  <SCORE.INTRA.DIHEDRAL.0>
1.46476

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.245671

>  <SCORE.INTRA.VDW.0>
-0.705709

>  <SCORE.INTRA.norm>
-0.0160348

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.373439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005708

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  192.3022  216.0042  258.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0277  215.7151  256.9729 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1691  215.0081  256.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9485  214.7262  254.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5514  215.9340  254.1136 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4284  216.6360  254.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7381  216.9489  256.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1383  216.1680  252.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0662  215.4370  252.4999 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7603  217.4426  252.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7249  217.4635  250.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3311  218.4074  249.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8932  218.2311  249.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9125  218.2346  250.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3114  217.2514  251.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8454  218.6987  252.7990 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.9400  218.9538  253.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9424  218.2461  253.5720 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7783  220.0574  254.4001 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0928  219.9811  255.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7785  219.5512  256.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1241  219.5464  258.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7885  219.9195  258.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0873  220.3024  256.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7398  220.3339  255.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8038  219.1988  259.1058 F   0  0  0  0  0  0  0  0  0  0  0  0
  192.2326  219.4684  252.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.7169  220.9379  253.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <CHROM.1>
173.27978255,46.96898223,82.44641972,83.61340675,192.76729733,217.83701326
254.45691888,1.38913412,1.56104863,1.62298342

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450704/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.0892

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-3.3108

>  <SCORE.INTRA.DIHEDRAL>
-0.510879

>  <SCORE.INTRA.DIHEDRAL.0>
2.50554

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.05536

>  <SCORE.INTRA.VDW.0>
-1.68129

>  <SCORE.INTRA.norm>
-0.127338

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.2342

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000292

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  195.6071  208.0939  247.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1172  209.1777  247.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6595  209.4824  245.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6973  208.6990  245.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1878  207.5955  246.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6255  207.2984  247.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1989  206.6714  245.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5172  206.6877  244.3768 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7786  205.8458  246.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3571  209.2279  243.8461 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.5767  210.3690  243.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7935  209.3190  244.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0930  208.0384  242.7959 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4649  205.2422  246.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5796  207.2383  243.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <CHROM.1>
-3.19071113,-11.29058452,-178.43140919,-61.31982879,197.19144081,208.26845475
245.16921876,1.81441994,-0.77376371,2.19666874

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450705/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.32517

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-5.07483

>  <SCORE.INTRA.DIHEDRAL>
-4.02643

>  <SCORE.INTRA.DIHEDRAL.0>
6.15662

>  <SCORE.INTRA.POLAR>
-0.854396

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.156672

>  <SCORE.INTRA.VDW.0>
-0.345605

>  <SCORE.INTRA.norm>
-0.390372

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.178859

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004245

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  180.5247  213.3630  254.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4688  212.1425  254.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5247  211.5045  253.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9000  212.6504  255.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0299  211.0695  255.8295 N   0  3  0  0  0  0  0  0  0  0  0  0
  180.9660  211.6403  257.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.5486  211.5209  257.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.7615  210.9134  256.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.6077  210.5224  255.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.3971  210.7230  256.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.8586  211.1479  258.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.4255  211.1070  258.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.5676  211.2920  260.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.8344  212.1275  260.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6584  211.7395  259.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0156  211.9446  258.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9315  210.0153  255.8060 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  CHG  2   5   1  17  -1
M  END
>  <CHROM.1>
-58.99753118,179.31630508,211.49765251,256.92360909,0.64497102,-0.29710316
-1.87139825

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450706/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39929

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-0.000709251

>  <SCORE.INTRA.DIHEDRAL>
-0.000167863

>  <SCORE.INTRA.DIHEDRAL.0>
0.00526014

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00062532

>  <SCORE.INTRA.VDW.0>
3.56009

>  <SCORE.INTRA.norm>
-4.17207e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.376429

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003369

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  200.8699  199.7524  242.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3912  200.6472  243.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4094  201.6096  243.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9343  202.4095  244.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4078  202.2670  245.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3998  201.3010  245.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8751  200.4954  244.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7930  203.1520  246.3425 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.8905  203.9603  245.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7535  203.6520  244.1091 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.0802  205.0230  246.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1260  205.7436  245.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3966  206.7991  246.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5629  207.1755  247.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5024  206.4327  248.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2578  205.3970  247.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8967  208.2469  248.1882 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.9962  208.5631  249.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8704  208.9991  247.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1237  203.1598  247.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <CHROM.1>
-177.18032529,174.92694029,197.74354581,204.24911215,245.92650714,0.69117268
0.80608562,-1.87815098

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450707/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.05258

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-1.34742

>  <SCORE.INTRA.DIHEDRAL>
-6.74428

>  <SCORE.INTRA.DIHEDRAL.0>
6.96915

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.02472

>  <SCORE.INTRA.VDW.0>
1.5623

>  <SCORE.INTRA.norm>
-0.0673711

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.302629

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000948

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  198.1584  194.9808  242.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9831  196.2348  242.1766 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.1935  196.2424  243.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3405  197.1636  244.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4396  197.2349  244.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5569  196.3043  244.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6147  196.2986  245.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3405  195.4432  243.4309 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2172  195.3743  242.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1638  194.5808  241.7151 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6052  198.4338  246.1966 Br  0  0  0  0  0  0  0  0  0  0  0  0
  199.3107  196.2405  240.7803 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9257  197.4532  240.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0945  194.8179  243.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-110.95390743,172.03061982,201.03310432,196.84515102,243.91867339,2.04431960
0.50576851,-2.28802589

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450708/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.99734

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.569231

>  <SCORE.INTRA>
-0.402662

>  <SCORE.INTRA.DIHEDRAL>
-0.697193

>  <SCORE.INTRA.DIHEDRAL.0>
3.22975

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.054066

>  <SCORE.INTRA.VDW.0>
0.116144

>  <SCORE.INTRA.norm>
-0.030974

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.538257

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002071

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 39  0  0  0  0  0  0  0  0999 V2000
  219.0183  186.5398  248.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7750  186.6295  247.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4730  186.8843  247.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3820  187.0382  247.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6617  186.9720  249.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9528  186.7201  249.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0151  187.6524  247.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8539  187.5483  246.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5501  187.5851  245.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5078  187.5439  246.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3121  188.1854  246.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0820  188.5933  244.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9527  188.2078  243.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2124  187.6842  244.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3446  187.0072  242.9146 Br  0  0  0  0  0  0  0  0  0  0  0  0
  209.6127  189.7073  244.5501 Br  0  0  0  0  0  0  0  0  0  0  0  0
  212.9185  186.9751  247.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4821  185.9240  248.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9279  187.7267  248.3388 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1665  188.8187  249.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4021  188.2536  250.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2986  188.8582  250.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9262  190.1305  250.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6539  190.7512  249.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7125  190.1148  248.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2404  190.9609  247.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4993  191.7908  246.8630 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8424  191.6057  245.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0392  191.9986  244.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3469  191.5947  243.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4954  190.8518  242.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3755  190.5099  243.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0050  190.8838  245.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7662  190.5800  246.7869 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 34  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <CHROM.1>
22.83066799,-164.38381160,148.19614519,213.32231551,188.73558647,246.13478013
-0.52926147,0.51652560,-1.65556756

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450709/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.36161

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.247059

>  <SCORE.INTRA>
-7.03839

>  <SCORE.INTRA.DIHEDRAL>
-4.53748

>  <SCORE.INTRA.DIHEDRAL.0>
8.45947

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.76965

>  <SCORE.INTRA.VDW.0>
-3.38368

>  <SCORE.INTRA.norm>
-0.207011

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.0400474

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000428

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  210.8504  195.6292  244.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2363  195.0446  245.1161 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.0238  194.1772  246.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9237  194.9628  247.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1573  195.8281  247.9103 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.1671  196.8501  246.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2982  196.1406  245.4414 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.4510  197.2135  244.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6093  196.8268  243.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1331  195.9151  242.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6142  194.4782  242.6782 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.7744  194.0582  243.9670 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.7389  192.9525  243.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2784  191.9563  242.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3572  192.5752  241.2272 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0845  193.9415  241.2862 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.2511  193.8572  240.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2179  192.5196  239.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1915  191.6583  240.2864 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.4154  190.9490  239.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9177  192.7622  240.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1467  196.4847  249.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8253  190.3416  239.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.1753  195.7895  249.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  1  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  6  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
62.86890134,-63.88498331,212.84082329,194.38894837,243.61402248,1.58117805
0.89830018,1.06326404

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450710/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.39106

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.245455

>  <SCORE.INTRA>
-2.00894

>  <SCORE.INTRA.DIHEDRAL>
-3.02227

>  <SCORE.INTRA.DIHEDRAL.0>
3.14611

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.497801

>  <SCORE.INTRA.VDW.0>
0.468107

>  <SCORE.INTRA.norm>
-0.0913153

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.154139

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002393

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  210.0678  193.6011  248.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1258  192.0501  248.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9667  191.5347  249.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8965  191.6436  247.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4321  191.5143  247.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6555  190.1590  247.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8628  189.7335  246.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8979  190.6350  246.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7311  191.9678  246.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5108  192.3975  247.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8449  192.9129  246.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8230  194.2124  247.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6776  194.8301  247.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7492  195.3295  248.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9854  195.0062  246.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9465  195.6304  246.6741 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.1386  187.9238  246.2386 Br  0  0  0  0  0  0  0  0  0  0  0  0
  210.7402  189.1834  247.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2135  188.3875  247.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  3  0  0  0  0
 15 16  3  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
-172.66683579,-141.51415296,-177.64334146,212.69317177,191.26535554,247.18730439
1.24675088,0.35010784,0.22702482

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450711/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.03981

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-5.36019

>  <SCORE.INTRA.DIHEDRAL>
-14.2312

>  <SCORE.INTRA.DIHEDRAL.0>
16.7152

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.75542

>  <SCORE.INTRA.VDW.0>
0.43231

>  <SCORE.INTRA.norm>
-0.297788

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.113323

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000312

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  198.6747  194.8764  250.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7613  195.3954  249.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4540  195.4406  248.4406 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1484  194.1949  248.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0523  193.6684  249.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2759  193.5925  250.4701 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2918  192.4958  251.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0162  191.3305  251.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9935  190.2064  251.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2392  190.2322  253.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5117  191.3596  253.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5412  192.4766  252.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2092  189.1574  253.7984 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.4324  196.4836  247.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0210  196.4524  246.4515 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6953  197.7092  247.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6687  198.7549  247.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1161  200.0521  247.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5963  200.2013  248.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0321  201.4182  249.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9797  202.5058  248.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4936  202.3839  247.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0583  201.1634  246.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5813  201.0839  245.2810 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.7897  200.8430  245.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7864  201.3142  244.3594 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
>  <CHROM.1>
-171.33388837,178.79756810,-0.34773987,198.23465686,196.28403243,249.01444535
1.18649105,-1.03769914,2.29015314

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450712/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.633706

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-7.76629

>  <SCORE.INTRA.DIHEDRAL>
-19.8117

>  <SCORE.INTRA.DIHEDRAL.0>
20.0069

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.13954

>  <SCORE.INTRA.VDW.0>
-0.426999

>  <SCORE.INTRA.norm>
-0.298704

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0243733

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005998

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  209.4679  186.1300  255.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3342  185.8405  254.4347 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6888  186.2698  253.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8187  186.2933  252.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0802  186.4860  253.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6246  186.5530  254.4698 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6820  185.9462  255.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8885  184.4581  255.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7315  183.6288  255.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8372  182.3577  254.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8768  181.8792  254.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5509  181.5638  255.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3593  182.2599  254.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3633  182.4920  253.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3451  183.2375  252.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2947  183.7310  253.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2344  183.4363  254.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2536  182.6965  255.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6980  180.0673  254.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6150  179.0830  255.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7863  177.7263  255.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0488  177.3267  254.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1268  178.2789  253.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9558  179.6335  253.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
53.29579508,-63.46362305,168.61896976,9.33086654,58.54367532,59.44319812
114.03517200,210.52914183,182.89599216,254.26001372,1.58051744,-0.24426635
-0.05348709

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450713/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.21147

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-5.18853

>  <SCORE.INTRA.DIHEDRAL>
-4.56966

>  <SCORE.INTRA.DIHEDRAL.0>
8.17483

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.9037

>  <SCORE.INTRA.VDW.0>
-0.994635

>  <SCORE.INTRA.norm>
-0.216189

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.300478

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.052272

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  180.9836  214.3122  256.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.8651  212.8032  256.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0601  212.0308  256.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.9529  211.4792  257.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8724  211.5593  258.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0128  210.7833  256.4910 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.3101  211.8424  254.7121 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.4724  212.0780  254.3660 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.1928  210.6758  255.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.6704  210.3889  257.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <CHROM.1>
90.62791084,132.36787170,182.47855216,212.10414288,256.23913413,3.13862825
0.74900153,-1.42134594

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450730/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.94435

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.925

>  <SCORE.INTRA>
-1.45565

>  <SCORE.INTRA.DIHEDRAL>
3.49143

>  <SCORE.INTRA.DIHEDRAL.0>
1.20007

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.20136

>  <SCORE.INTRA.VDW.0>
3.16303

>  <SCORE.INTRA.norm>
-0.181956

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.743044

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002228

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  189.7633  218.5823  255.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1400  218.1600  254.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8334  219.3187  254.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2140  218.8995  253.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9011  220.0631  252.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2786  219.6414  252.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9671  220.8051  251.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3452  220.3825  251.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0404  221.5439  250.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4231  221.1194  250.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1222  222.2810  249.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5150  221.8990  248.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1588  223.0841  248.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1042  223.7043  248.7158 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5656  223.3833  247.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1580  224.5101  246.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-179.95069762,-179.79032249,-179.83826994,-179.88136699,-179.99589168,-179.93359245
-179.96759214,-179.94376216,-179.47505049,179.71887883,109.50311759,179.91793724
197.31569292,221.11499243,250.97614555,2.49835488,-0.09566100,2.30379852

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450731/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.7813

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.0875

>  <SCORE.INTRA>
-0.618729

>  <SCORE.INTRA.DIHEDRAL>
0.123394

>  <SCORE.INTRA.DIHEDRAL.0>
1.09613

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.680426

>  <SCORE.INTRA.VDW.0>
1.45206

>  <SCORE.INTRA.norm>
-0.0386706

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
1.04883

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.041108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  217.7644  183.1421  237.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0255  183.1947  238.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1456  183.5563  239.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3638  182.7813  239.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5932  182.8012  240.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7779  182.4453  241.3819 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.8907  182.0468  240.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0741  181.7592  241.2042 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.1304  181.3469  240.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0185  181.2450  239.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8304  181.5617  238.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7547  181.9647  239.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4808  182.3301  238.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3843  182.2661  237.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.0735  180.9261  238.2980 F   0  0  0  0  0  0  0  0  0  0  0  0
  225.3228  181.1134  241.0977 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.3646  180.2327  240.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7381  180.9101  240.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.9508  181.3588  242.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.8522  182.1924  242.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4843  181.4935  242.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
  229.1569  181.0519  242.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.0078  180.3944  242.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.4631  181.4772  244.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
  230.6193  181.0135  244.7571 F   0  0  0  0  0  0  0  0  0  0  0  0
  229.5306  182.8363  244.3337 F   0  0  0  0  0  0  0  0  0  0  0  0
  228.4771  181.0744  245.0725 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.9751  182.5012  242.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5074  181.2123  243.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4523  179.8171  242.9343 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-178.69193864,86.55399578,156.95807063,174.09938804,61.92318969,223.96949180
181.62869151,241.28937888,-2.75340690,-0.10359455,1.62274538

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450732/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.43621

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.346667

>  <SCORE.INTRA>
-1.96379

>  <SCORE.INTRA.DIHEDRAL>
-3.77249

>  <SCORE.INTRA.DIHEDRAL.0>
8.1466

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.077543

>  <SCORE.INTRA.VDW.0>
0.122287

>  <SCORE.INTRA.norm>
-0.0654596

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.281207

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003237

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  204.8194  200.2885  240.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3741  199.1784  241.1497 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4596  198.2038  240.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3224  197.3750  241.8090 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.1578  197.7758  242.8215 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7541  198.8735  242.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9088  199.7682  243.3456 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.3207  198.5531  244.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2076  197.4635  244.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4313  197.5442  244.1354 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5058  196.4538  243.4072 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0563  195.2845  242.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1952  194.4340  242.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6927  193.2688  241.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0383  192.9284  241.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8934  193.7586  242.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4042  194.9301  242.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6373  192.2464  240.6489 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.7252  198.1093  239.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8083  197.0818  239.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0570  196.9326  238.1945 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.2419  197.8427  237.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1488  198.8824  237.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9087  199.0028  238.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5168  196.6240  243.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-178.33506042,-162.11910900,74.51390302,94.03412342,-174.81197970,205.17459360
196.82019863,241.46265151,-2.83218542,0.76249673,-2.76792887

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450733/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34382

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-5.05618

>  <SCORE.INTRA.DIHEDRAL>
-7.47169

>  <SCORE.INTRA.DIHEDRAL.0>
9.49268

>  <SCORE.INTRA.POLAR>
-0.859405

>  <SCORE.INTRA.POLAR.0>
-0.140595

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.60164

>  <SCORE.INTRA.VDW.0>
-2.54986

>  <SCORE.INTRA.norm>
-0.210674

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.222659

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 73 80  0  0  0  0  0  0  0  0999 V2000
  204.8141  223.3654  253.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7701  222.3416  253.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9067  221.1406  253.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6368  222.9728  252.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5147  222.1471  252.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7859  222.2419  251.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5713  221.5614  251.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1240  220.7323  252.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8536  220.6329  253.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0348  221.3580  253.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8254  220.0523  251.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4300  219.3487  252.9025 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1497  220.2742  250.8054 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8794  219.6320  250.4397 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.1794  218.3596  249.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8780  218.0216  248.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2948  216.3641  248.0783 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.7447  216.2167  249.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7480  217.3273  250.3948 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0464  214.9819  250.2052 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2757  214.8819  251.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1330  215.7888  252.3644 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6611  213.6208  251.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9438  213.3731  253.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6817  213.5608  254.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3735  211.9016  253.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1217  214.2310  253.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9495  219.3032  251.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1229  220.1135  252.0509 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1350  218.0549  252.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.4419  217.7262  253.4523 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.2783  217.5169  254.7566 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.2262  216.4874  255.1115 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1840  216.1908  253.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2331  215.1398  253.1531 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0192  216.9596  255.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8387  218.2406  256.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8695  219.3396  256.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5398  218.7752  255.9915 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.5790  218.8607  256.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2987  219.7471  257.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7382  220.4117  257.1496 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.5608  219.4596  255.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6101  218.7176  255.4253 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3445  219.5151  254.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2465  220.3098  255.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1158  220.2644  254.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0047  219.4976  253.3296 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0719  218.7359  253.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2450  218.7090  253.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8234  216.0072  255.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7440  216.2572  256.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1248  214.8512  255.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.0889  213.8559  254.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9407  214.4190  254.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2195  215.1947  252.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1887  215.8038  252.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8642  215.6445  252.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5680  214.8651  253.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5976  214.2569  254.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6374  212.5687  254.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5591  211.3294  254.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1395  210.1868  254.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8048  210.2645  253.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8954  211.4857  252.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3208  212.6293  253.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2427  223.0875  250.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3263  223.6878  249.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1064  223.5809  249.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0381  224.4688  248.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5660  220.8588  250.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.9820  214.1596  249.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.9331  217.5014  251.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 67  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 71  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 72  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 73  1  0  0  0  0
 31 30  1  6  0  0  0
 31 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 39  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  2  0  0  0  0
 36 51  1  0  0  0  0
 37 38  1  0  0  0  0
 37 40  1  0  0  0  0
 38 39  1  0  0  0  0
 40 44  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 50  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 61  1  0  0  0  0
 55 60  1  0  0  0  0
 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
 57 58  2  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 61 66  1  0  0  0  0
 61 62  2  0  0  0  0
 62 63  1  0  0  0  0
 63 64  2  0  0  0  0
 64 65  1  0  0  0  0
 65 66  2  0  0  0  0
 67 68  1  0  0  0  0
 68 69  2  0  0  0  0
 68 70  1  0  0  0  0
M  END
>  <CHROM.1>
-172.76623924,-134.49520299,-150.11676765,-178.82333233,-91.12443515,-116.46176184
88.77970113,-173.73124847,179.81029058,63.70102984,-113.10297191,176.79143759
142.21926633,-1.82406316,-177.65656757,62.71739983,41.26217775,121.31320746
0.95473165,194.79118131,217.76816657,253.11235644,0.40569832,0.31103324,0.08215136

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450734/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.16157

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348571

>  <SCORE.INTRA>
-18.2384

>  <SCORE.INTRA.DIHEDRAL>
-26.7245

>  <SCORE.INTRA.DIHEDRAL.0>
42.9231

>  <SCORE.INTRA.POLAR>
-1.38981

>  <SCORE.INTRA.POLAR.0>
-0.159823

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.150819

>  <SCORE.INTRA.VDW.0>
-6.94689

>  <SCORE.INTRA.norm>
-0.260549

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
70

>  <SCORE.norm>
0.0880225

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000588

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 36  0  0  0  0  0  0  0  0999 V2000
  195.4156  216.8964  248.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9692  215.8338  249.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0894  215.4047  248.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2742  216.2122  247.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2485  217.1329  247.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4814  215.9515  246.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6503  215.7820  247.3545 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5946  216.7351  247.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4347  216.2152  248.5554 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0825  214.9068  248.7681 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.0286  214.6532  248.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2281  213.1268  247.9048 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.2097  212.5958  249.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6373  213.6915  250.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4430  213.6943  250.8148 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5701  214.6412  250.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3546  215.7079  251.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3733  216.6612  251.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2150  217.7472  252.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0457  217.8698  253.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0356  216.9244  253.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1921  215.8418  252.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8911  218.9111  254.3719 F   0  0  0  0  0  0  0  0  0  0  0  0
  200.7080  218.0915  247.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9068  219.0360  248.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.8845  219.1622  249.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7305  218.3734  249.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7723  218.5939  250.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9625  219.6027  251.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0997  220.4031  250.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0546  220.1825  249.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7951  219.8496  252.2530 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.4367  214.6716  250.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
-46.14441961,-97.17530820,134.75815012,-137.88512957,51.52216998,94.29080522
-172.12748938,-63.40637173,6.13388761,198.78252016,216.75429031,249.90577442
-0.85757395,1.39854622,0.04679789

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450735/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.85097

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-5.54903

>  <SCORE.INTRA.DIHEDRAL>
1.37105

>  <SCORE.INTRA.DIHEDRAL.0>
6.42637

>  <SCORE.INTRA.POLAR>
-0.0509485

>  <SCORE.INTRA.POLAR.0>
-0.787191

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.06133

>  <SCORE.INTRA.VDW.0>
-2.64289

>  <SCORE.INTRA.norm>
-0.173407

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.276593

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 47  0  0  0  0  0  0  0  0999 V2000
  201.5166  196.3855  250.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7917  197.2246  250.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5528  197.1358  249.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5268  198.7019  250.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7704  199.5989  250.9316 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.4343  201.0576  251.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4539  201.3471  252.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3689  202.0155  250.9576 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2259  202.6200  249.6821 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3182  201.8184  248.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5685  201.9203  247.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3201  200.8740  248.6565 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4958  199.9314  247.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4201  198.9156  247.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0430  198.7728  248.8731 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6166  197.9433  246.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9034  198.0640  245.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9667  197.0532  244.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8241  195.9681  244.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5584  195.8516  245.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4349  196.8230  246.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1998  197.0219  243.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0880  197.9254  243.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1103  197.6276  244.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5573  196.3555  244.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6008  196.1408  245.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1840  197.1945  246.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7211  198.4660  246.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6752  198.6818  245.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6701  199.0213  251.9365 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.9908  199.3624  251.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5308  200.1935  251.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.6212  198.5838  252.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0473  198.7411  252.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7481  198.2997  251.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5954  199.1749  251.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1530  198.8015  249.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8705  197.5511  249.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0364  196.6685  249.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4791  197.0397  251.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3026  202.0379  251.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5848  203.4125  249.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7401  200.6375  249.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1607  200.2055  246.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3719  198.2762  252.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 45  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <CHROM.1>
178.29045705,-179.37512827,31.99133094,159.74019888,89.81101335,-62.20290217
137.74826564,-173.40185722,0.53779324,-14.65766108,-61.46567115,-52.80463643
173.61542114,-65.12510100,124.48881321,205.23853625,198.62879353,248.63130608
1.98101009,0.27746843,-2.01178474

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450737/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.42021

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.51

>  <SCORE.INTRA>
-17.9798

>  <SCORE.INTRA.DIHEDRAL>
-16.8842

>  <SCORE.INTRA.DIHEDRAL.0>
24.5971

>  <SCORE.INTRA.POLAR>
-1.06791

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.90679

>  <SCORE.INTRA.VDW.0>
-1.48044

>  <SCORE.INTRA.norm>
-0.449495

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
40

>  <SCORE.norm>
0.0605051

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000713

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 33  0  0  0  0  0  0  0  0999 V2000
  223.8941  184.1899  260.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1859  183.9499  259.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3871  183.2438  258.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3084  182.7543  258.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0000  183.0155  258.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8077  183.7289  259.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9115  182.5577  257.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1137  181.8387  256.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4114  181.5485  256.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6741  180.8095  254.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0164  180.5706  254.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4158  179.8462  253.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7644  179.6988  253.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7397  180.2740  253.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3584  180.9758  254.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0260  181.1236  255.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7778  181.8111  256.4217 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.5168  182.0276  256.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5409  180.3482  254.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6826  179.6743  252.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5221  179.1540  252.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7098  178.4540  250.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6160  177.9582  250.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3201  178.1647  250.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1189  178.8547  251.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2212  179.3466  252.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1658  177.6601  249.9866 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.3890  177.0676  248.9210 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.0362  177.8583  250.4565 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 19 20  2  0  0  0  0
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 22 23  1  0  0  0  0
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 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <CHROM.1>
178.44492850,-179.95506027,222.85337338,180.57390271,254.52289705,1.01893576
0.02264270,1.02325802

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450738/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.88383

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.255172

>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
-25.5763

>  <SCORE.INTRA.DIHEDRAL.0>
25.5843

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.50432

>  <SCORE.INTRA.VDW.0>
-1.07134

>  <SCORE.INTRA.norm>
-0.354615

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
-0.0994423

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002685

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  210.2818  188.3125  245.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2882  188.5912  244.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3470  188.1610  243.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1973  189.2131  243.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2527  189.0328  242.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4917  187.7649  241.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6557  186.7109  242.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5925  186.8833  243.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8039  185.6466  243.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7700  185.7276  244.0825 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0381  184.6135  244.3515 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0264  184.6781  245.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7482  185.6742  245.9816 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4689  183.3750  245.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7352  182.9469  246.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9364  183.6512  247.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8670  183.9266  248.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4709  182.6127  249.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7560  182.4700  250.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3674  181.3030  251.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7235  180.2965  250.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4525  180.4306  248.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7993  181.5677  248.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5190  181.8213  247.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1371  181.2804  246.0111 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8537  182.1831  245.0430 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5343  187.6059  240.8297 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3287  186.8109  239.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9756  190.1791  241.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0963  190.5877  240.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3838  183.7079  244.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1663  182.0104  244.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 26  1  0  0  0  0
 14 15  2  0  0  0  0
 15 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-106.81728389,-124.52631364,-137.66349912,1.11917310,172.28467175,161.43082992
209.95614968,185.24268250,245.16419217,0.48806671,0.95436915,0.18252986

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450739/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.57805

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-3.82195

>  <SCORE.INTRA.DIHEDRAL>
0.3371

>  <SCORE.INTRA.DIHEDRAL.0>
10.3639

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.9905

>  <SCORE.INTRA.VDW.0>
3.54847

>  <SCORE.INTRA.norm>
-0.127398

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.252602

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  188.8222  214.3287  265.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2217  214.9416  263.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4420  216.0150  263.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7388  216.6501  262.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8240  216.2238  261.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5967  215.1495  261.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2906  214.5006  263.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1045  213.4077  263.5705 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3591  212.8795  262.6001 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.2363  213.9818  262.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8777  211.6782  263.2207 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5292  212.3778  261.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2429  212.3892  259.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6002  212.0516  258.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2420  211.7361  258.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5291  211.7632  259.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1677  212.0613  261.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7851  211.4036  259.9009 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.2858  211.7901  258.5940 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6120  210.0446  260.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0434  212.4928  261.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6707  213.7856  260.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1043  214.6430  261.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9224  214.2041  262.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3077  212.9184  263.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8776  212.0568  262.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1538  215.3673  264.2601 Br  0  0  0  0  0  0  0  0  0  0  0  0
  190.8568  212.8347  264.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
178.94645519,53.24095700,154.47813902,-28.20899195,85.98849777,188.70474280
213.51668947,262.10360205,-2.54145750,0.04218272,-2.27619873

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450740/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.18484

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-7.21516

>  <SCORE.INTRA.DIHEDRAL>
-10.9833

>  <SCORE.INTRA.DIHEDRAL.0>
15.8877

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.72349

>  <SCORE.INTRA.VDW.0>
-4.52132

>  <SCORE.INTRA.norm>
-0.267228

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.117957

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 41  0  0  0  0  0  0  0  0999 V2000
  221.9112  190.2868  241.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7859  190.6922  243.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5494  189.7839  244.3101 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.3860  190.1913  245.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0896  189.2831  246.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8752  189.7062  247.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9525  191.0502  248.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2559  191.9699  247.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4899  191.5729  245.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8163  192.4998  244.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9067  192.0437  243.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8210  193.8821  245.1422 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4480  188.3390  243.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9772  187.9413  243.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8048  186.4907  243.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3392  186.0479  243.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7314  185.8863  244.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2101  185.7164  244.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4518  187.0048  244.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3883  187.9889  245.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8661  189.3969  245.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3901  189.4592  245.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8289  190.8196  244.6749 N   0  3  0  0  0  0  0  0  0  0  0  0
  218.0067  191.7923  245.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4909  193.0470  245.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7687  193.3524  243.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6400  192.3318  242.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0191  192.5197  241.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8711  191.5157  240.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3331  190.2948  241.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9678  190.0751  242.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1283  191.0620  243.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3822  194.5816  243.6549 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7771  191.6105  247.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9831  194.3863  244.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.1426  194.1993  246.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.7629  195.3836  243.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.0754  194.5879  242.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 32  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 37  1  0  0  0  0
 33 38  1  0  0  0  0
M  CHG  2   3   1  23   1
M  END
>  <CHROM.1>
-98.19645709,-96.54775054,176.57192348,177.12952175,-72.16348948,168.65217476
-72.47508500,-76.48013472,127.74871961,-75.61851609,178.26032018,85.25868363
-84.73089881,219.28937722,190.27417036,244.45099222,0.57711064,-0.85070929
-0.79579060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450741/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.19829

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.541176

>  <SCORE.INTRA>
-10.2017

>  <SCORE.INTRA.DIHEDRAL>
8.68844

>  <SCORE.INTRA.DIHEDRAL.0>
4.50906

>  <SCORE.INTRA.POLAR>
-0.998218

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-11.152

>  <SCORE.INTRA.VDW.0>
0.660606

>  <SCORE.INTRA.norm>
-0.30005

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.241126

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001632

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  206.7184  196.9028  250.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8588  198.3748  251.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4094  199.1175  250.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.5039  200.4625  250.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8504  201.0649  251.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1991  201.0942  248.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2203  202.4370  248.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8067  202.9662  247.5528 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.0551  202.2538  246.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0011  200.9007  246.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8681  200.1806  247.7602 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.1351  199.6742  247.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6045  199.8103  245.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8422  199.1410  245.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0771  198.6395  247.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0226  198.9515  247.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.1991  197.9183  247.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1338  197.5136  248.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1638  196.7691  249.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2863  196.4260  248.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3778  196.8446  247.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3420  197.5852  246.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5819  195.4820  249.4340 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.9726  196.2963  251.1973 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.1053  200.0806  245.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2069  200.5192  245.1577 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3459  198.7635  246.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5189  197.8416  245.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9528  196.4355  245.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3454  203.0748  245.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6846  203.4595  249.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7224  203.9814  247.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  6  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
-177.93498851,-5.00844132,179.98731733,-11.73268612,-120.34487504,-179.04762199
177.65980502,179.66820610,207.79233342,198.96068611,248.20426295,-0.02008557
-0.63953359,1.00270172

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450742/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.19204

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.432258

>  <SCORE.INTRA>
-8.20796

>  <SCORE.INTRA.DIHEDRAL>
-17.2207

>  <SCORE.INTRA.DIHEDRAL.0>
18.0283

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.402411

>  <SCORE.INTRA.VDW.0>
-0.425603

>  <SCORE.INTRA.norm>
-0.264773

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.167485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000087

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  193.3447  213.1748  249.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9115  214.4159  250.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2018  214.5154  251.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9671  213.3455  252.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4113  212.1102  251.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0959  212.0187  250.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1021  210.5508  252.8587 Br  0  0  0  0  0  0  0  0  0  0  0  0
  191.8388  215.7827  252.0697 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.3039  216.3870  253.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4228  216.6179  254.2564 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.8976  217.2071  255.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1660  217.5768  255.5666 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.0410  217.3201  254.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3792  217.6316  254.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3494  217.3234  253.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9520  216.7438  252.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6235  216.4475  252.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6636  216.7264  253.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1209  216.5512  251.9621 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1478  216.9904  252.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7123  217.4818  253.8851 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8609  216.0100  251.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2096  216.1288  251.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-114.80219919,-114.99283467,193.54409133,214.59572995,252.86402734,-2.11192226
0.39897671,0.46332334

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450743/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.64817

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-0.751834

>  <SCORE.INTRA.DIHEDRAL>
-0.0696866

>  <SCORE.INTRA.DIHEDRAL.0>
1.00416

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.71699

>  <SCORE.INTRA.VDW.0>
-0.877424

>  <SCORE.INTRA.norm>
-0.0358016

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.316579

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001416

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  197.2994  220.5617  252.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5283  219.9107  253.3604 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.8029  220.5265  252.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8689  219.5976  252.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5100  218.1241  251.8596 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3283  217.6377  252.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4448  218.4184  253.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2362  217.8751  250.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0691  218.7122  249.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4714  218.0905  249.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6187  217.2825  252.3139 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5647  215.9366  252.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6542  215.3182  251.5846 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8061  215.2727  252.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-59.92496212,-179.31708766,1.00405053,200.18006285,218.06994026,251.90700693
3.05902978,0.89016633,-1.25086484

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450744/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.91402

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.485979

>  <SCORE.INTRA.DIHEDRAL>
-0.12271

>  <SCORE.INTRA.DIHEDRAL.0>
0.247631

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.424623

>  <SCORE.INTRA.VDW.0>
1.4426

>  <SCORE.INTRA.norm>
-0.0347128

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.565287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009784

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  207.2408  201.8009  239.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5669  202.4616  240.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1659  203.0458  241.4972 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.2179  202.3453  240.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5070  202.9759  241.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9972  202.8201  241.3883 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.4890  203.4688  240.1031 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.0759  203.9058  240.4871 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.2360  204.2372  241.9878 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.3315  203.4566  242.4924 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0856  203.9990  242.8315 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1858  204.9506  243.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2182  204.3338  243.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4624  202.9824  243.9581 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6267  202.7258  243.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1078  201.6337  242.9889 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0711  204.9348  244.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8548  206.1488  244.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.3101  203.9842  245.2716 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1720  204.4953  245.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1519  202.8108  240.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8312  203.1354  240.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3740  204.2682  240.4692 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9916  201.9143  240.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4383  202.5088  239.0309 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0614  202.9154  237.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7765  204.0672  237.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0829  201.7739  236.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8776  202.2751  244.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  6  0  0  0
  8  9  1  0  0  0  0
  8 21  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-179.44645759,179.26190110,-60.98077570,-177.44520656,-167.95693089,-100.18850517
0.46150031,-179.78265399,4.74603480,1.60386298,200.92233583,203.34432098
241.53652991,-0.55321232,-0.11721376,1.39486250

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450754/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8119

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-4.58806

>  <SCORE.INTRA.DIHEDRAL>
-5.14812

>  <SCORE.INTRA.DIHEDRAL.0>
9.0103

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.014

>  <SCORE.INTRA.VDW.0>
-0.133078

>  <SCORE.INTRA.norm>
-0.163859

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.386141

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001615

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10 10  0  0  0  0  0  0  0  0999 V2000
  198.2672  201.2986  248.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6116  201.2903  248.7490 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4858  200.7253  250.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7462  201.3411  251.1842 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.6860  200.5503  247.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6336  199.1567  247.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6478  198.4807  247.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7248  199.1867  246.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7864  200.5713  246.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7730  201.2500  247.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <CHROM.1>
-119.17618776,-69.24178807,200.67752613,200.41882687,248.24519331,2.32853952
-0.31002546,1.36062023

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450756/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.4584

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.74

>  <SCORE.INTRA>
-0.9416

>  <SCORE.INTRA.DIHEDRAL>
-0.064819

>  <SCORE.INTRA.DIHEDRAL.0>
1.33681

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.909191

>  <SCORE.INTRA.VDW.0>
0.604549

>  <SCORE.INTRA.norm>
-0.09416

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.64584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.078635

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  210.0996  193.9975  246.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9042  192.5011  246.9408 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2794  191.8039  247.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2265  190.2854  247.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6638  189.8257  245.9975 F   0  0  0  0  0  0  0  0  0  0  0  0
  208.9667  192.2516  248.1475 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4651  190.7922  248.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6618  190.0328  249.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7570  190.4201  247.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.6777  192.5495  249.4102 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.4276  189.5028  247.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.0154  192.4055  250.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.8774  193.5520  249.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  1  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-170.66109555,164.56854208,59.78265574,120.55587421,177.97352427,-179.63347079
209.66884250,191.38067417,247.55804643,0.73726619,0.73007530,0.27353644

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450759/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.84552

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.04

>  <SCORE.INTRA>
-1.55448

>  <SCORE.INTRA.DIHEDRAL>
0.121651

>  <SCORE.INTRA.DIHEDRAL.0>
1.95858

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.61531

>  <SCORE.INTRA.VDW.0>
0.515441

>  <SCORE.INTRA.norm>
-0.155448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.884552

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.074332

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  215.6677  186.3065  241.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4874  185.4138  241.0221 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7591  186.0626  240.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6170  185.1659  239.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9282  184.7159  238.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.6446  184.0949  238.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7640  184.9638  239.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7229  185.7922  237.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9769  186.1740  236.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4398  185.0489  235.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7965  183.8162  236.5005 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.8641  182.7500  236.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0404  182.4600  235.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2124  181.3336  235.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1890  180.4653  236.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9806  180.7340  237.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8131  181.8632  237.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7849  182.1486  239.0992 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.1655  183.0299  238.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3930  182.9739  239.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5232  183.5906  238.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4253  184.2607  237.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1950  184.3501  236.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0352  183.7571  237.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
77.14256971,66.92310223,-60.94872622,101.42688456,218.99696944,183.77549313
238.11223506,-2.48600855,-0.11760925,-2.38211365

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450760/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.1308

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-3.2692

>  <SCORE.INTRA.DIHEDRAL>
0.533034

>  <SCORE.INTRA.DIHEDRAL.0>
2.63257

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.53571

>  <SCORE.INTRA.VDW.0>
-0.536417

>  <SCORE.INTRA.norm>
-0.136216

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.25545

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000620

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  216.9657  181.8174  243.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7416  181.8507  244.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9978  180.7731  245.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3112  179.3407  244.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4434  178.4350  246.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7046  178.7259  246.9375 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.7443  177.8715  248.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9454  178.5918  246.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9006  179.5048  245.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6915  180.1052  247.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3666  183.2072  245.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8861  180.2717  247.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <CHROM.1>
120.62051414,-69.53351360,175.73261624,123.11239252,59.88733980,216.44077160
180.03896592,245.92201695,-1.85962901,-0.09844095,2.55869850

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450761/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.04132

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-3.35868

>  <SCORE.INTRA.DIHEDRAL>
-2.06985

>  <SCORE.INTRA.DIHEDRAL.0>
2.55186

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.32376

>  <SCORE.INTRA.VDW.0>
2.61923

>  <SCORE.INTRA.norm>
-0.305335

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.54921

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  196.5477  215.1696  246.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8114  215.2362  248.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6516  214.3985  248.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4075  213.3066  248.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9472  213.2981  248.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6153  214.5109  247.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3827  215.3969  248.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7313  215.3891  249.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2792  216.6689  250.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7722  216.8552  250.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9993  216.5726  251.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2237  217.3455  249.0955 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.9172  218.8196  248.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9621  218.1951  248.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4722  214.7410  246.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0501  216.3143  248.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  1  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <CHROM.1>
121.20217063,-63.38674751,117.95196921,-121.07952523,60.78929915,102.96263676
-98.04236932,199.22309129,215.78751726,248.68075082,2.32510447,0.13605786
-2.56882636

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450778/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.84066

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.775

>  <SCORE.INTRA>
-8.55934

>  <SCORE.INTRA.DIHEDRAL>
-7.78419

>  <SCORE.INTRA.DIHEDRAL.0>
9.0768

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.66724

>  <SCORE.INTRA.VDW.0>
0.824022

>  <SCORE.INTRA.norm>
-0.534959

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.240041

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.022770

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  221.3010  212.1620  284.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2250  213.4300  285.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0161  214.5492  284.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9845  214.4267  283.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0147  213.1370  282.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1515  212.0113  283.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0485  215.6420  282.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7991  216.8862  282.7730 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.3493  217.4001  283.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0749  218.4797  284.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6418  219.1656  285.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4615  218.7819  286.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7725  217.6597  285.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2500  216.9386  284.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4499  215.3908  280.7767 S   0  0  0  0  0  0  0  0  0  0  0  0
  221.3898  216.6499  280.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
-19.63769867,178.94295617,129.28829566,220.71075189,215.71487576,283.82926810
0.53673198,-1.28967355,2.55599382

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450779/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.55828

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.56

>  <SCORE.INTRA>
-1.84172

>  <SCORE.INTRA.DIHEDRAL>
-5.10459

>  <SCORE.INTRA.DIHEDRAL.0>
9.87108

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.710573

>  <SCORE.INTRA.VDW.0>
-1.5211

>  <SCORE.INTRA.norm>
-0.122781

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.437219

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003039

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  208.9392  191.9851  240.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2144  193.2014  240.9043 N   0  3  0  0  0  0  0  0  0  0  0  0
  207.0252  193.5184  240.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6760  192.8622  242.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1884  194.0555  243.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5318  194.9592  242.6604 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5403  194.1492  244.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1786  195.3252  245.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4778  195.4834  246.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1355  194.4655  247.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4894  193.2918  246.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1935  193.1303  245.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5424  194.5867  249.0185 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  207.0010  196.9619  247.4123 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.2068  194.4281  240.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4640  194.2540  241.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5730  194.0960  241.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2457  194.2348  243.1404 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1567  195.4375  243.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6077  195.5216  245.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4170  196.6862  245.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7403  197.7595  245.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3281  197.6912  244.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5652  196.5483  243.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3651  199.1943  246.2599 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.9329  196.7453  247.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3660  195.5302  247.8307 F   0  0  0  0  0  0  0  0  0  0  0  0
  211.9960  197.5798  247.5215 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.9930  197.1460  248.2756 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.5168  193.4101  243.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
167.65295710,-61.41352126,40.83595652,174.13633401,108.28534642,-84.47321939
-146.97394619,-9.74095773,209.03052179,195.45514455,245.05544849,1.73045125
-0.73829579,-1.93663766

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450780/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39428

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.462069

>  <SCORE.INTRA>
-8.00572

>  <SCORE.INTRA.DIHEDRAL>
0.0917844

>  <SCORE.INTRA.DIHEDRAL.0>
4.78044

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.05161

>  <SCORE.INTRA.VDW.0>
-0.604455

>  <SCORE.INTRA.norm>
-0.276059

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.18601

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  185.6736  209.2449  250.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1396  209.1314  251.0080 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.4489  210.5266  251.0501 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.9050  210.4739  250.8431 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.1977  211.8404  251.0313 C   0  0  1  0  0  0  0  0  0  0  0  0
  179.6867  211.7410  250.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4614  211.5545  249.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.3560  212.3826  252.3484 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.5727  209.9699  249.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7877  211.1666  252.2862 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6738  208.3191  249.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2515  209.9636  251.9831 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.9967  210.7796  249.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.3015  212.3676  252.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.0310  209.1217  249.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.7612  211.1644  252.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.0441  207.4265  250.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.2185  209.9785  251.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  5  6  1  1  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <CHROM.1>
58.94145245,179.94118057,167.30574328,63.06003019,173.95809912,53.25557702
177.66022296,52.55220818,-70.89102225,50.60659005,53.87765857,182.70363929
210.51627402,250.91771609,0.17274377,0.38781035,-2.38454353

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450782/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.22963

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-9.17037

>  <SCORE.INTRA.DIHEDRAL>
-0.762911

>  <SCORE.INTRA.DIHEDRAL.0>
3.65022

>  <SCORE.INTRA.POLAR>
-2.49832

>  <SCORE.INTRA.POLAR.0>
-0.525496

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.294625

>  <SCORE.INTRA.VDW.0>
-0.0770142

>  <SCORE.INTRA.norm>
-0.764197

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.102469

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008723

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  190.0296  217.3893  259.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5393  217.1289  259.4730 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.1859  217.5720  258.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5073  216.6599  257.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1109  217.0877  255.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4172  218.4327  255.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1160  219.3519  256.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5036  218.9266  257.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1936  217.8213  260.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6674  218.6562  261.4160 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4584  217.3590  260.9132 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7247  215.7035  259.6689 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8037  217.8412  261.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.6822  215.5779  259.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-100.77684452,-13.75821449,-169.72296724,-179.75220542,192.27750951,217.63857865
258.75148974,2.17506335,1.08852416,1.14729718

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450783/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.45636

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-0.943644

>  <SCORE.INTRA.DIHEDRAL>
-1.32337

>  <SCORE.INTRA.DIHEDRAL.0>
3.03403

>  <SCORE.INTRA.POLAR>
0.385399

>  <SCORE.INTRA.POLAR.0>
-0.507131

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.59232

>  <SCORE.INTRA.VDW.0>
1.3704

>  <SCORE.INTRA.norm>
-0.078637

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.53803

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008461

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  197.3625  193.2333  249.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1174  193.6386  248.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2428  194.0694  247.3814 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.3589  195.1519  247.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5114  194.7956  249.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3788  194.3003  250.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4146  193.6882  251.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8098  192.6271  251.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2843  194.5804  252.2902 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.0805  195.7506  252.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9303  195.4463  251.0098 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1308  196.1029  250.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8268  196.6311  251.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1214  197.1455  251.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7163  197.2592  250.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0007  196.8742  249.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7271  196.2976  249.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5695  192.8960  246.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0988  193.0509  245.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3146  193.2311  244.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1230  191.9679  244.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7335  190.9930  244.6842 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8219  193.3714  242.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4600  192.6946  241.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1141  192.9389  240.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1289  193.8683  240.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4371  194.4982  241.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7572  194.2283  242.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1418  194.4866  244.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4586  194.3559  245.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2097  195.4599  245.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6820  196.7379  245.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4134  196.9077  245.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6486  195.7988  244.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6897  194.3775  253.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  3  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-156.06612030,-146.03314156,64.28527442,61.38146555,-136.43538990,113.88232205
197.46616402,194.54404465,247.19448877,1.51438936,0.67913424,1.39111165

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450784/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.41317

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335294

>  <SCORE.INTRA>
-2.98683

>  <SCORE.INTRA.DIHEDRAL>
-3.4934

>  <SCORE.INTRA.DIHEDRAL.0>
9.01941

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.24013

>  <SCORE.INTRA.VDW.0>
-0.648795

>  <SCORE.INTRA.norm>
-0.087848

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.247446

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.011089

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  216.0087  190.3812  249.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1329  191.1032  250.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1709  192.6236  250.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3186  192.8456  248.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.3701  193.8612  248.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2528  193.6287  249.2614 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.9306  193.2066  250.4545 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4202  194.8703  249.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3788  194.5738  250.4848 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2943  193.3552  250.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7030  192.9568  250.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8943  195.4124  250.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-59.28939790,62.89571005,179.48981753,-179.74264502,216.41296235,193.05479182
249.77999113,0.47520243,0.07075064,-3.08231682

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450785/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.9156

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.763636

>  <SCORE.INTRA>
-0.4844

>  <SCORE.INTRA.DIHEDRAL>
-0.288775

>  <SCORE.INTRA.DIHEDRAL.0>
0.375817

>  <SCORE.INTRA.POLAR>
0.0456964

>  <SCORE.INTRA.POLAR.0>
-0.0456964

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.495381

>  <SCORE.INTRA.VDW.0>
0.886756

>  <SCORE.INTRA.norm>
-0.0440364

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.7196

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.046977

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  203.9163  183.0875  245.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2382  182.8105  244.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3959  181.2778  244.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0853  183.3897  243.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4692  183.4363  245.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7495  183.2450  244.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8910  183.8379  245.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7718  184.6870  246.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5209  184.8392  247.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3884  184.2194  246.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7923  185.4109  247.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2456  184.5483  247.4215 P   0  0  1  0  0  0  0  0  0  0  0  0
  211.8287  185.8145  248.0658 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4411  183.6697  248.6139 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0096  182.3196  248.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6990  183.6857  247.7909 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7198  183.7579  246.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4021  183.3898  244.6534 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.6616  184.2307  248.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  1  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <CHROM.1>
178.55983286,-49.40814296,-176.45817251,101.03724295,53.90745006,209.01622714
183.77377692,246.23660551,2.70982121,-0.00290665,-2.00979892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450810/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.8687

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-1.5313

>  <SCORE.INTRA.DIHEDRAL>
0.41167

>  <SCORE.INTRA.DIHEDRAL.0>
4.65428

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.73713

>  <SCORE.INTRA.VDW.0>
1.30567

>  <SCORE.INTRA.norm>
-0.085072

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.492706

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000266

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  186.3477  213.4274  256.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4289  214.0031  257.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9300  214.2384  259.1811 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.7602  212.9190  259.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8615  215.1725  259.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0961  216.4926  259.3758 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0642  217.5322  259.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7138  217.2797  258.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7044  216.9285  257.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.5321  217.4153  259.5732 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.3096  216.9373  258.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9561  215.5012  259.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8704  215.2471  260.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4969  213.9339  260.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2025  212.8640  259.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2904  213.0978  259.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6541  214.4051  258.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5308  217.6876  261.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1899  216.6470  261.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2663  216.8006  262.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6459  215.5827  263.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8114  214.5412  263.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5972  215.0382  261.9258 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.8737  213.1266  263.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2315  216.6546  258.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0114  215.7241  258.3513 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4827  218.0360  257.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7339  218.2778  256.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
73.11332864,56.51997175,79.33919065,-66.15669973,-48.68069183,93.40035472
-61.02830147,107.16502442,120.45949865,-84.98484283,185.78502690,215.53341763
259.83204031,0.49724085,-0.35711877,-1.44662244

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450811/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.52764

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.55

>  <SCORE.INTRA>
-7.87236

>  <SCORE.INTRA.DIHEDRAL>
-0.26778

>  <SCORE.INTRA.DIHEDRAL.0>
9.08559

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.73847

>  <SCORE.INTRA.VDW.0>
-1.98779

>  <SCORE.INTRA.norm>
-0.281156

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.268844

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005262

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 15  0  0  0  0  0  0  0  0999 V2000
  202.2117  212.7697  246.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3815  211.7205  247.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4733  210.6525  245.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6737  209.2321  246.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1763  208.3329  245.0611 C   0  3  0  0  0  0  0  0  0  0  0  0
  204.5390  208.8308  243.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4277  210.2163  243.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3235  206.8524  245.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5480  206.3795  245.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5054  204.3627  246.2287 C   0  5  0  0  0  0  0  0  0  0  0  0
  206.5554  204.5115  245.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5359  202.6338  245.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8108  201.3707  244.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9659  200.5714  245.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  CHG  2   5   1  10  -1
M  END
>  <CHROM.1>
-90.62259965,123.94985613,204.85893831,207.05315550,245.52650163,2.51421619
1.06741469,-0.83591354

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450812/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.51585

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-13.9159

>  <SCORE.INTRA.DIHEDRAL>
0.016494

>  <SCORE.INTRA.DIHEDRAL.0>
0.8

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-13.9241

>  <SCORE.INTRA.VDW.0>
13.4917

>  <SCORE.INTRA.norm>
-0.99399

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
-0.465418

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.063009

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  190.7940  229.9139  256.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6573  229.0289  256.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5355  228.6215  254.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4472  227.8473  254.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4464  227.4718  255.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6249  227.8071  256.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7164  228.5756  256.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3044  226.7444  254.7927 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.8802  226.2539  253.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9125  225.3273  253.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5117  224.6458  252.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9930  225.2832  251.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5470  224.5168  249.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6425  223.1241  249.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1549  222.4850  251.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5490  223.2410  252.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0221  222.5419  253.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3950  221.3759  253.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0325  223.2974  254.5906 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.5752  224.6133  254.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0771  225.1918  255.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7309  222.8177  255.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9361  221.4653  255.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6601  221.0557  257.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2293  221.9882  257.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0690  223.3458  257.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3221  223.7505  256.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9941  221.5925  259.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1776  220.2311  259.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8330  219.8291  260.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3470  220.7854  261.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2171  222.1430  261.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5379  222.5379  260.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6686  226.5457  255.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
 10 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-0.60577546,-27.47410760,-0.50936273,186.63005985,224.24606724,255.54243383
-0.80266340,-0.91712398,-0.57162049

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450813/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.22658

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.254545

>  <SCORE.INTRA>
-1.17342

>  <SCORE.INTRA.DIHEDRAL>
-6.2816

>  <SCORE.INTRA.DIHEDRAL.0>
8.62407

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.96738

>  <SCORE.INTRA.VDW.0>
-1.24153

>  <SCORE.INTRA.norm>
-0.0355582

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.218987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000297

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 56 61  0  0  0  0  0  0  0  0999 V2000
  220.3658  178.6904  251.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9822  179.1294  250.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2826  180.0658  249.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2001  180.5264  249.7317 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0906  180.3855  248.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2994  180.6339  246.8966 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2054  181.2496  245.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7609  181.2353  244.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2944  179.8670  243.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2207  179.3816  244.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6417  179.4016  246.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3505  178.7899  243.5338 C   0  0  2  0  0  0  0  0  0  0  0  0
  222.2665  178.1107  244.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6027  178.7843  244.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.3389  179.1650  243.6322 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.5563  179.7988  242.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1910  179.1556  242.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6713  179.5378  243.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6019  178.7394  243.7229 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.9854  181.0078  244.1509 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.6254  181.1698  245.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6608  180.7661  246.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8269  181.7371  247.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1560  181.5287  248.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2311  180.2724  249.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9830  179.2566  248.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6871  179.4949  247.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.0810  177.6716  249.1259 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  223.8132  180.0936  250.3984 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.3902  182.6847  249.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1944  183.6575  249.5519 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.6154  183.3145  248.1027 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.5494  182.3303  250.0403 F   0  0  0  0  0  0  0  0  0  0  0  0
  227.0129  181.4404  243.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5320  181.3556  241.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.9109  180.4677  240.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.5743  182.2904  241.3220 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.9356  183.2146  242.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4236  183.2082  242.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9190  183.2375  240.6827 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.6903  182.2667  239.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.1930  182.4096  239.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7697  184.5759  240.0805 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.4109  185.0408  239.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3274  185.8644  238.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1454  186.0064  237.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1298  186.8042  236.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2851  187.4743  236.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4526  187.3618  237.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4617  186.5591  238.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6182  186.4304  238.9410 N   0  0  0  0  0  0  0  0  0  0  0  0
  223.8220  185.4574  239.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9412  185.3847  240.3599 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9372  179.6113  250.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.5581  179.8216  251.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
  224.4479  186.9590  238.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  9  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 39  1  1  0  0  0
 40 41  1  0  0  0  0
 40 43  1  0  0  0  0
 41 42  1  0  0  0  0
 43 52  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 50  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 56  1  0  0  0  0
 52 53  2  0  0  0  0
M  END
>  <CHROM.1>
0.00280329,143.21042746,165.73927096,69.64438100,97.30856005,119.55486982
-63.91343232,61.85424940,-90.87058625,-72.85377999,105.98754434,-105.49064763
-110.57731194,223.20452142,181.64957841,244.41651311,1.57222763,-0.40388591
2.05343997

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450814/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.26306

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.34717

>  <SCORE.INTRA>
-11.1369

>  <SCORE.INTRA.DIHEDRAL>
-0.095793

>  <SCORE.INTRA.DIHEDRAL.0>
12.4236

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.68904

>  <SCORE.INTRA.VDW.0>
-2.49281

>  <SCORE.INTRA.norm>
-0.210131

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
53

>  <SCORE.norm>
0.137039

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004517

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  5  4  0  0  0  0  0  0  0  0999 V2000
  217.7270  177.6683  239.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4057  178.4497  240.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9756  179.7947  240.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2300  180.7926  240.4842 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1122  179.7703  240.0396 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  1   5  -1
M  END
>  <CHROM.1>
77.13795129,218.69490512,179.31216141,240.38667471,2.04983752,-0.16037618
-3.01324173

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450815/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.24052

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.28

>  <SCORE.INTRA>
-1.15948

>  <SCORE.INTRA.DIHEDRAL>
-1.11027

>  <SCORE.INTRA.DIHEDRAL.0>
1.70165

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.604346

>  <SCORE.INTRA.VDW.0>
0.514608

>  <SCORE.INTRA.norm>
-0.231896

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
1.0481

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.028793

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 50  0  0  0  0  0  0  0  0999 V2000
  201.0711  215.3396  248.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8654  215.7544  249.8057 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.0506  216.4732  250.8864 C   0  0  2  0  0  0  0  0  0  0  0  0
  200.1062  215.4607  251.5887 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.9019  214.2426  252.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7008  213.6359  250.9289 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5394  214.6423  250.3874 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4627  212.5174  251.4066 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2024  211.7703  250.4123 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.3711  210.6536  249.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1499  209.8033  248.7984 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.2914  209.1218  249.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1059  210.0628  250.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5918  211.3189  250.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4192  212.1827  251.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7181  211.8030  252.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1960  210.5382  251.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3858  209.6790  250.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8838  208.4463  250.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5526  210.1152  252.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.0130  209.0078  251.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.4041  211.0423  252.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9455  212.3172  253.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5695  212.7169  252.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1253  213.7973  253.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8063  213.1659  253.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0839  212.7198  254.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5235  211.4491  253.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6848  210.6175  253.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3382  214.4102  254.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.5634  214.9150  255.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9484  213.4304  251.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1700  208.7339  248.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3793  207.5228  248.3581 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9744  209.2153  247.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2555  210.4097  246.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6802  210.6167  247.7426 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3479  216.0913  252.6753 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3676  217.5905  250.3231 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.7515  208.2582  250.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.1948  213.6942  251.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.4405  210.6452  246.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9536  210.9533  247.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7292  216.8101  252.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9810  216.5686  253.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8839  218.0404  251.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  6  0  0  0
  4  5  1  0  0  0  0
  4 38  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  6  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 29  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 41  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 42  1  0  0  0  0
 37 43  1  0  0  0  0
 38 44  1  0  0  0  0
 38 45  1  0  0  0  0
 39 46  1  0  0  0  0
M  END
>  <CHROM.1>
-178.22446011,63.92221196,175.70695246,-88.34921434,-120.29229385,-68.01343197
-17.79597991,-177.55401530,136.74336047,31.71062681,-179.59697516,204.86111256
212.19519753,251.16094072,3.08863561,0.44560043,-2.64302441

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450816/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.31113

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.292308

>  <SCORE.INTRA>
-9.08887

>  <SCORE.INTRA.DIHEDRAL>
-3.76207

>  <SCORE.INTRA.DIHEDRAL.0>
12.0209

>  <SCORE.INTRA.POLAR>
-1.27775

>  <SCORE.INTRA.POLAR.0>
-0.497536

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.86348

>  <SCORE.INTRA.VDW.0>
3.36129

>  <SCORE.INTRA.norm>
-0.233048

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.0592597

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002155

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 18  0  0  0  0  0  0  0  0999 V2000
  194.6197  222.2073  255.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6619  220.9387  256.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5662  219.7105  255.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8795  218.7639  256.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8738  217.5444  256.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1055  219.5524  257.7101 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8802  220.9138  257.3898 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7463  221.8664  258.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2295  219.0752  259.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8411  219.8523  260.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9825  219.3572  261.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5523  218.1019  261.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9582  217.3298  260.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7755  217.8047  259.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3256  219.2135  254.1858 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3148  219.0331  253.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4476  219.6052  253.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
84.02528004,-149.76169086,195.07599017,219.47547043,257.54507300,2.77596774
1.45579034,-2.53979378

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450817/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.77789

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-1.62211

>  <SCORE.INTRA.DIHEDRAL>
-4.26305

>  <SCORE.INTRA.DIHEDRAL.0>
6.90151

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.509416

>  <SCORE.INTRA.VDW.0>
-0.788126

>  <SCORE.INTRA.norm>
-0.101382

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.361118

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002100

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  195.6384  203.0268  243.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4045  204.4128  243.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4225  205.2578  243.5456 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.2731  204.9755  243.3678 F   0  0  0  0  0  0  0  0  0  0  0  0
  195.2396  204.3943  245.9827 I   0  0  0  0  0  0  0  0  0  0  0  0
  195.7437  203.0823  241.9203 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.6268  202.1685  243.5517 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.7826  202.4500  243.7272 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <CHROM.1>
-58.39038320,195.39464588,204.01652360,244.68153903,-0.63822212,-1.41517879
2.10332401

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450829/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37375

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-0.0262547

>  <SCORE.INTRA.DIHEDRAL>
-0.0355788

>  <SCORE.INTRA.DIHEDRAL.0>
0.0401426

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00846526

>  <SCORE.INTRA.VDW.0>
-1.12716

>  <SCORE.INTRA.norm>
-0.00328183

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.796718

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034824

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  206.9128  200.3845  240.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5783  201.0516  240.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1267  201.9071  241.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7949  202.3706  241.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1944  201.7889  239.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0043  201.8063  239.4933 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3735  200.7683  239.1226 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.1034  203.3118  241.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1758  204.2319  241.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5053  205.1501  242.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7704  205.2071  243.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7161  204.3410  244.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3455  203.3876  243.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0816  206.1618  244.3032 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5354  205.7405  245.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0210  202.3496  242.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6887  201.4091  243.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4943  201.8273  244.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6849  203.1878  244.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0732  204.1304  243.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2408  203.7145  242.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3848  202.3442  240.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
-54.09384313,145.73578783,136.10360909,204.16616116,202.94300532,242.13618090
-0.82233264,-0.35626206,0.97164491

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450834/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.79236

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.60764

>  <SCORE.INTRA.DIHEDRAL>
-3.74715

>  <SCORE.INTRA.DIHEDRAL.0>
18.1694

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.265934

>  <SCORE.INTRA.VDW.0>
-0.332626

>  <SCORE.INTRA.norm>
-0.0765544

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.323446

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001925

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  201.5643  212.2380  246.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9258  212.2372  245.5643 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6198  211.8627  245.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9863  211.5252  246.5783 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.0138  211.8963  244.1839 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.0537  213.3064  243.5910 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.4441  214.3105  244.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0813  215.1855  245.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1094  214.0874  244.7171 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4713  214.9813  245.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4134  213.6654  243.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6532  210.9699  243.2907 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.9074  213.5028  244.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6011  211.2108  243.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  1  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-0.91053520,-61.26415551,-51.75271170,-58.97241576,112.24976795,-52.22190034
179.27725713,199.22694195,213.01945805,244.91546660,0.03397539,-0.76206449
1.49248354

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450835/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.60933

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-4.79067

>  <SCORE.INTRA.DIHEDRAL>
-4.73112

>  <SCORE.INTRA.DIHEDRAL.0>
7.0441

>  <SCORE.INTRA.POLAR>
-0.767653

>  <SCORE.INTRA.POLAR.0>
-0.00328303

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.184906

>  <SCORE.INTRA.VDW.0>
1.56506

>  <SCORE.INTRA.norm>
-0.399223

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.467444

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020282

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 37  0  0  0  0  0  0  0  0999 V2000
  193.7055  209.9703  256.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9247  209.3843  255.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7581  208.6529  255.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0084  208.1141  254.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3940  208.3157  253.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5742  209.0228  252.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3334  209.5465  253.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6104  207.8040  251.9403 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2215  207.5976  251.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9203  206.9173  250.8211 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0352  206.8224  250.0395 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0331  207.3712  250.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6530  207.3592  250.0638 S   0  0  0  0  0  0  0  0  0  0  0  0
  188.1919  208.1970  252.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4894  209.3148  253.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6125  209.7332  254.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3838  209.0812  254.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0541  208.0363  253.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9539  207.5820  252.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4727  209.4598  255.9183 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1115  210.7919  255.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8761  211.6886  256.5257 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0142  211.1476  257.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9526  209.8536  257.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8381  209.0411  257.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3292  208.1318  257.8243 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0255  209.2286  258.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2493  209.8768  258.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3632  211.1399  257.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2354  211.7987  257.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8005  208.9640  258.8404 Br  0  0  0  0  0  0  0  0  0  0  0  0
  183.7477  211.1383  255.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4469  206.7731  248.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 33  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 23 30  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
29.78251083,14.91960242,176.49814003,53.58772501,189.25651033,209.00789648
255.13231977,-0.99439577,-0.10868638,1.29559930

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450836/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.86574

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-2.53426

>  <SCORE.INTRA.DIHEDRAL>
-3.18824

>  <SCORE.INTRA.DIHEDRAL.0>
9.29919

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.940145

>  <SCORE.INTRA.VDW.0>
-2.77603

>  <SCORE.INTRA.norm>
-0.0791957

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.214554

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000398

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 27  0  0  0  0  0  0  0  0999 V2000
  187.5068  221.5995  266.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0932  221.6330  264.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3052  222.4136  263.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8911  222.0540  263.5356 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0620  222.5203  264.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3910  222.9453  265.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7402  222.8578  266.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1739  223.4367  266.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1531  223.2980  265.4944 N   0  0  0  0  0  0  0  0  0  0  0  0
  183.6802  222.7105  264.3914 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8281  222.4212  263.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5370  222.9742  263.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7061  222.7467  262.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1310  221.9459  261.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3965  221.3609  261.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2444  221.5956  262.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1483  223.4774  262.1046 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  183.9403  224.0554  267.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7053  224.5118  268.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7458  225.0297  269.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0209  224.9949  269.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1426  224.3194  268.8910 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.5375  225.5468  271.4984 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  185.5364  222.0894  262.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
179.50930232,-165.51852814,183.81035800,223.28637166,265.64242404,-1.16256985
0.26429137,-1.96487373

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450837/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.05334

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-1.34666

>  <SCORE.INTRA.DIHEDRAL>
-4.30966

>  <SCORE.INTRA.DIHEDRAL.0>
5.00773

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.808169

>  <SCORE.INTRA.VDW.0>
-1.33566

>  <SCORE.INTRA.norm>
-0.0585504

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.263189

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000239

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  191.3344  220.9902  257.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2165  221.2202  256.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7199  221.5350  255.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3379  221.6186  255.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4662  221.4163  256.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9610  221.0984  257.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9016  221.9117  253.8806 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0180  223.0384  253.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3531  224.1328  253.2465 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.1934  224.2280  254.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5079  224.5809  255.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3870  226.1438  255.8408 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.0299  225.6554  255.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8636  224.9871  256.2375 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6368  224.5118  257.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7444  224.0383  258.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6179  223.5877  259.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3734  223.6092  260.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2513  224.0056  259.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3809  224.4110  258.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5543  226.1206  253.9021 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.2570  223.1047  251.8546 S   0  0  0  0  0  0  0  0  0  0  0  0
  189.1158  221.3430  253.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.5499  225.4933  253.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.9983  224.3482  251.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <CHROM.1>
-66.98391930,-74.62508475,-178.44521215,87.21837172,58.03245721,-81.41053556
-76.17378470,-55.93563220,-167.94553531,190.67315816,223.73364866,255.73310204
-0.29778510,1.38972982,-2.69149228

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450838/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31228

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.654545

>  <SCORE.INTRA>
-8.08772

>  <SCORE.INTRA.DIHEDRAL>
-0.169197

>  <SCORE.INTRA.DIHEDRAL.0>
10.196

>  <SCORE.INTRA.POLAR>
-0.971785

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.69905

>  <SCORE.INTRA.VDW.0>
-3.3279

>  <SCORE.INTRA.norm>
-0.367623

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.286922

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  193.8835  212.0496  239.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2515  211.5667  240.6518 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5318  210.3051  240.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2657  212.4145  241.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8548  213.5029  241.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5213  211.9159  243.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8606  212.5924  244.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9434  212.1931  245.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2646  212.3696  244.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8943  213.6490  245.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1421  213.7699  246.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0790  214.6410  244.3232 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7203  215.8641  244.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6625  216.8624  243.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2506  218.1062  243.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9464  218.3214  245.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0548  217.3205  245.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4253  216.0942  245.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5198  219.5112  245.2488 F   0  0  0  0  0  0  0  0  0  0  0  0
  194.5668  214.5270  243.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <CHROM.1>
162.29513421,170.60839669,138.79698733,109.00317692,-170.19423972,194.67544099
214.36243387,243.75397608,-2.69341266,1.01943736,1.56517642

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450839/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78772

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.547368

>  <SCORE.INTRA>
-4.61228

>  <SCORE.INTRA.DIHEDRAL>
-1.14104

>  <SCORE.INTRA.DIHEDRAL.0>
5.8

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.641757

>  <SCORE.INTRA.VDW.0>
-0.821658

>  <SCORE.INTRA.norm>
-0.242751

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.304617

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002260

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 45  0  0  0  0  0  0  0  0999 V2000
  209.4069  195.3838  246.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4537  196.2976  247.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1115  196.2412  248.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0040  196.9853  247.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6148  196.7699  248.3212 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.5459  197.8018  247.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2806  197.8242  248.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0654  195.3867  248.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9518  194.2998  248.4948 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.4168  193.5443  247.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0777  193.5827  246.2372 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.3206  192.5356  247.7511 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9621  191.9599  248.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7234  190.9182  248.8076 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2275  190.4220  247.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6387  190.8885  247.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5708  190.4204  248.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0611  190.6908  248.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9577  190.3482  249.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7575  191.4116  250.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4003  191.4922  250.8283 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2146  191.3143  252.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1872  191.0954  253.0260 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.9804  191.2972  252.6629 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6901  191.0311  252.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6014  191.5018  252.8116 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8428  192.5042  253.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6497  193.3726  254.2652 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.1712  194.3916  255.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4585  193.7731  256.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0001  194.1570  253.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7472  194.9566  253.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0950  195.6412  252.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4008  194.6148  251.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5567  190.0666  251.3367 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.8472  192.5950  249.9891 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.8771  193.6252  245.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.5493  192.7526  245.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.3741  191.9721  246.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.7534  190.2687  252.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.8063  191.8773  253.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.0294  191.5739  253.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.5800  190.4037  250.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.7826  189.4451  251.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.1513  193.3289  250.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.9085  191.9650  250.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
 25 35  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 43  1  0  0  0  0
 35 44  1  0  0  0  0
 36 45  1  0  0  0  0
 36 46  1  0  0  0  0
M  END
>  <CHROM.1>
-73.57968684,172.68101258,163.30235575,-166.03610574,59.41558373,-118.01907865
129.25418403,11.79715401,96.95762107,58.94217143,174.05022997,174.00639490
-72.76683452,61.57185310,121.60891128,-60.01108181,-90.02192683,164.30678097
-177.39483332,-73.29689478,175.82809246,-176.36294354,72.91918735,208.52221628
193.26471377,250.18697747,-2.84248125,-0.65333785,1.63605789

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450840/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.2241

>  <SCORE.INTER>
28.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
23

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.788889

>  <SCORE.INTRA>
-17.1759

>  <SCORE.INTRA.DIHEDRAL>
-0.187835

>  <SCORE.INTRA.DIHEDRAL.0>
10.5019

>  <SCORE.INTRA.POLAR>
-2.3217

>  <SCORE.INTRA.POLAR.0>
-0.319989

>  <SCORE.INTRA.REPUL>
0.0260516

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.31844

>  <SCORE.INTRA.VDW.0>
4.51859

>  <SCORE.INTRA.norm>
-0.477108

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.311781

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  218.8271  186.2875  247.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0226  187.2910  248.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3679  188.7587  248.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5399  186.9188  248.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6309  186.8275  247.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2584  186.5435  247.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8607  186.1911  249.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7663  186.1667  250.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0811  186.5442  249.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1514  186.7576  246.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1835  188.1565  246.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2389  185.6902  245.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0835  187.0499  246.2481 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.5489  186.0357  245.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5926  184.8455  245.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9649  186.5444  244.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2937  187.0333  243.8284 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.5812  188.1873  244.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8028  188.7457  245.2571 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.0089  188.6290  244.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9560  188.4281  245.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2365  189.4924  246.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1353  189.3313  247.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7659  188.1051  247.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5164  187.0438  246.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6206  187.2068  245.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8624  187.9044  248.8454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.5156  187.9274  246.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-62.05767883,91.08411557,-50.68179909,2.38251522,86.67600723,-66.57391533
2.56218646,-106.93733760,-96.85919917,218.14339198,187.31329248,246.86428998
-0.00096839,0.19949488,1.65973409

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450841/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.05276

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-7.34724

>  <SCORE.INTRA.DIHEDRAL>
-3.89117

>  <SCORE.INTRA.DIHEDRAL.0>
9.87034

>  <SCORE.INTRA.POLAR>
-0.918991

>  <SCORE.INTRA.POLAR.0>
-0.017161

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.27708

>  <SCORE.INTRA.VDW.0>
-2.85232

>  <SCORE.INTRA.norm>
-0.27212

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.261213

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000966

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  199.1175  222.1373  249.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0831  222.8530  250.5018 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.6578  223.2492  250.9227 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5978  223.7609  252.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7246  224.9569  252.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.3914  222.7086  253.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6134  222.2936  254.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1491  224.2609  250.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6979  222.0566  251.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5772  222.9374  248.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1917  221.9891  253.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.2592  223.9212  249.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6375  221.9299  251.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6237  222.4353  247.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  1  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <CHROM.1>
58.95284988,-179.92109217,171.12211793,61.87572452,90.94383208,52.72978617
96.29118396,-55.32376777,198.29235014,223.11076866,251.23634556,-1.37294866
-0.85991885,1.66047686

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450859/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.88305

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-12.283

>  <SCORE.INTRA.DIHEDRAL>
-10.4125

>  <SCORE.INTRA.DIHEDRAL.0>
14.1398

>  <SCORE.INTRA.POLAR>
-1.75117

>  <SCORE.INTRA.POLAR.0>
-0.0239569

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12282

>  <SCORE.INTRA.VDW.0>
0.0991481

>  <SCORE.INTRA.norm>
-1.2283

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
-0.288305

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010259

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  200.0560  197.7104  247.7731 O   0  5  0  0  0  0  0  0  0  0  0  0
  200.7924  198.9821  247.7183 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.9410  200.0937  247.3069 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6012  199.2028  248.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1052  198.6213  246.1606 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.9558  198.2192  244.4876 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.8759  198.0244  243.3725 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1071  197.0797  244.8246 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1859  199.4659  244.3625 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
M  CHG  2   1  -1   9  -1
M  END
>  <CHROM.1>
59.76358531,177.45679754,200.95646999,198.60186930,246.10716847,1.61977757
0.00465212,1.34916331

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450860/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.29592

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.104077

>  <SCORE.INTRA.DIHEDRAL>
-0.00383471

>  <SCORE.INTRA.DIHEDRAL.0>
0.0103987

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.10216

>  <SCORE.INTRA.VDW.0>
-0.96387

>  <SCORE.INTRA.norm>
-0.0115641

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.810658

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.251537

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  209.9085  189.1568  237.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2441  188.6282  239.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3186  189.2141  239.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8293  187.4387  239.5721 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0671  186.2387  239.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3187  185.2125  240.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6811  183.9521  240.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6932  183.8360  239.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3901  184.8999  238.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0817  186.0955  238.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6890  182.3732  239.2053 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.4682  182.7584  238.5290 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5402  181.3170  238.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2056  181.9801  240.6921 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0709  182.8975  241.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0029  183.0783  242.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5517  184.3293  242.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1408  185.3911  241.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4575  186.6693  242.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4142  184.4426  243.6857 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1391  185.4583  243.6398 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.0067  185.5947  244.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7277  185.0250  246.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6202  185.1601  247.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7883  185.8982  246.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0574  186.5195  245.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1726  186.3781  244.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4932  187.1870  243.1137 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  216.5094  187.4564  245.6021 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  213.3106  184.4290  248.6130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  211.5524  184.3427  246.2265 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4739  187.5898  240.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.7613  182.7662  241.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1372  186.5885  242.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.1342  184.2290  245.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 25  2  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
>  <CHROM.1>
-117.62747163,-149.44494646,155.75150683,55.15929916,161.45231547,-170.21276757
-25.35072287,10.00291840,210.85060436,185.28656011,242.45599374,-2.78892818
0.73378872,2.37541034

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450861/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.47798

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-3.92202

>  <SCORE.INTRA.DIHEDRAL>
-2.57367

>  <SCORE.INTRA.DIHEDRAL.0>
7.09798

>  <SCORE.INTRA.POLAR>
-0.866398

>  <SCORE.INTRA.POLAR.0>
-1.37493

>  <SCORE.INTRA.REPUL>
-0.0065787

>  <SCORE.INTRA.REPUL.0>
0.0065787

>  <SCORE.INTRA.VDW>
0.34346

>  <SCORE.INTRA.VDW.0>
-1.80928

>  <SCORE.INTRA.norm>
-0.126517

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.208967

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000112

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 26  0  0  0  0  0  0  0  0999 V2000
  199.2617  205.1004  256.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0489  204.0646  256.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2044  202.8608  257.5007 N   0  3  0  0  0  0  0  0  0  0  0  0
  198.0549  203.2654  258.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1334  202.1479  258.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7359  202.0315  256.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7781  201.4895  255.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2090  201.9399  258.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8806  202.6097  259.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0520  202.7447  260.7607 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3986  202.1067  261.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3935  201.3768  261.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4093  202.2742  263.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4153  201.1544  263.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0146  200.6746  264.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.9790  200.6974  261.8623 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6019  199.4866  261.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7416  199.3558  259.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4093  197.9954  259.4289 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.8085  197.8666  260.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7929  198.9541  259.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4645  196.8319  259.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9900  195.4327  259.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5694  197.9151  257.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2739  198.1179  257.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2687  203.3867  260.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.0236  200.9003  261.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  2   3   1  19   1
M  END
>  <CHROM.1>
-60.22760886,175.71236227,56.39069408,59.94574031,77.53673915,117.61225542
93.33613527,141.38277766,100.04913545,-148.72822131,-179.09136184,-58.12099634
-61.07535897,-177.27743919,-55.27275883,199.33904616,200.73174283,259.55624555
-0.21279514,1.54236788,1.10228299

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450862/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.5499

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.816

>  <SCORE.INTRA>
-3.8501

>  <SCORE.INTRA.DIHEDRAL>
0.569543

>  <SCORE.INTRA.DIHEDRAL.0>
5.68722

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.13487

>  <SCORE.INTRA.VDW.0>
10.6789

>  <SCORE.INTRA.norm>
-0.154004

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.661996

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019715

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  202.9222  202.0247  249.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1475  202.5400  251.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8624  202.1837  252.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4167  202.0149  251.8870 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6150  202.5955  251.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6759  201.5708  250.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9686  200.3833  249.5584 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.5226  199.5870  249.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2046  198.6421  247.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1221  197.2841  248.4163 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.4288  196.1992  249.5910 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.3185  194.8866  250.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3227  195.3997  251.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4197  196.5192  250.8399 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0583  196.0771  250.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0968  195.2916  249.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3020  195.1707  251.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3507  197.5563  251.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7117  198.1315  252.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3617  198.6992  251.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5693  202.0890  253.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7781  201.3314  253.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7329  203.5438  253.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
68.31662129,-130.82223806,170.26779552,60.82154644,169.19802482,-173.15256633
-64.30533608,-70.69799130,177.41143484,-72.71117070,57.77967784,96.80640591
-67.71637517,56.13179371,205.08605756,198.95742001,250.70368651,1.76253221
0.58223382,0.25454060

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450863/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.9871

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.843478

>  <SCORE.INTRA>
-8.4129

>  <SCORE.INTRA.DIHEDRAL>
2.95308

>  <SCORE.INTRA.DIHEDRAL.0>
2.29355

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.88944

>  <SCORE.INTRA.VDW.0>
12.3253

>  <SCORE.INTRA.norm>
-0.365778

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.4777

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016562

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  198.2364  202.5424  256.3734 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.0418  203.3139  257.6888 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.0769  204.4497  257.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4755  205.6063  257.6344 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0490  204.0605  256.7298 O   0  5  0  0  0  0  0  0  0  0  0  0
  197.4200  202.4721  258.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3034  201.4433  256.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2637  201.4715  255.6626 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2161  200.5700  257.4496 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0142  201.8068  256.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0215  201.6802  258.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9762  199.9369  257.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3245  202.5009  255.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  1  0  0  0
  1 10  1  0  0  0  0
  2  3  1  6  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  1   5  -1
M  END
>  <CHROM.1>
173.10186335,-121.19704812,60.65855622,-125.10098035,53.33173096,-175.30711411
197.99685465,202.72980366,257.01767486,-0.17077624,0.94287407,-1.10259690

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450864/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-6.92228

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.84

>  <SCORE.INTRA>
-15.3223

>  <SCORE.INTRA.DIHEDRAL>
-16.8456

>  <SCORE.INTRA.DIHEDRAL.0>
19.3639

>  <SCORE.INTRA.POLAR>
-1.25208

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.6424

>  <SCORE.INTRA.VDW.0>
2.35219

>  <SCORE.INTRA.norm>
-1.53223

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
-0.692228

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020010

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  194.5123  214.2667  249.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3182  212.9636  249.5730 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.8632  212.8602  248.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7214  211.8813  247.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5671  213.9491  247.7597 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4115  212.9341  250.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.3654  215.4310  249.7522 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.8976  215.7326  250.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6728  216.8030  251.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0390  217.6561  250.0901 N   0  3  0  0  0  0  0  0  0  0  0  0
  197.2913  218.2307  249.2020 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6013  214.9729  252.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5449  214.6941  248.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.7004  211.9705  250.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1620  213.3409  251.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0142  215.3603  252.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
-70.96035617,-85.46665555,-128.80522817,155.68964497,-6.98549210,-177.90894563
-176.35192548,-17.69471506,196.02333168,214.76093121,249.71139207,2.08290582
-1.20090848,-2.22572545

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450865/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.50045

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.95

>  <SCORE.INTRA>
-6.89955

>  <SCORE.INTRA.DIHEDRAL>
-6.33337

>  <SCORE.INTRA.DIHEDRAL.0>
11.9603

>  <SCORE.INTRA.POLAR>
-1.49124

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.33735

>  <SCORE.INTRA.VDW.0>
0.13879

>  <SCORE.INTRA.norm>
-0.574963

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.375037

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008861

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  206.7790  207.6333  247.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2422  207.5509  246.4668 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.3705  208.3915  246.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4432  206.9811  245.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8166  206.9911  244.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0065  206.4523  243.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7900  205.8675  243.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4063  205.8178  244.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2218  206.3586  245.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8122  205.4895  242.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7772  204.6623  242.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6558  204.5174  241.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9836  205.4146  240.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8839  204.9270  240.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4697  203.5803  240.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0972  202.7243  241.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1506  203.2347  241.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8266  202.6241  242.9808 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7584  203.4841  243.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4475  203.2753  244.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6469  201.7097  243.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
174.48155358,163.75218966,203.76165942,205.31380254,243.54163405,0.13832462
0.74995601,2.28048002

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450866/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.95863

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-2.44137

>  <SCORE.INTRA.DIHEDRAL>
-6.96224

>  <SCORE.INTRA.DIHEDRAL.0>
8.97804

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.03975

>  <SCORE.INTRA.VDW.0>
2.32095

>  <SCORE.INTRA.norm>
-0.122068

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.247932

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000623

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 33 35  0  0  0  0  0  0  0  0999 V2000
  187.7385  200.8824  264.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1443  200.5414  264.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0296  201.6630  264.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3228  201.4423  263.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7100  200.4050  263.3242 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1071  202.6784  263.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7882  203.7887  264.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7630  205.1393  264.3258 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.7401  204.2417  263.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2566  202.9636  263.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8251  202.1508  261.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1767  202.2570  261.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6823  201.5401  260.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8492  200.6935  259.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5112  200.5634  260.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0014  201.3024  261.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4668  199.8183  258.4080 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.8560  204.0443  265.6316 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7483  204.8119  265.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4395  205.8548  265.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.9864  204.3162  264.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9214  205.0291  263.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0885  204.7061  262.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2928  203.6269  261.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3695  203.4005  260.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2389  204.2113  260.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0545  205.2890  261.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9685  205.5277  262.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4100  203.8397  259.5206 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7706  204.8883  258.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3437  202.7494  261.7207 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5756  203.1993  261.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8035  203.3719  266.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-179.47618686,5.92568417,22.32350807,-105.93624697,-154.00192385,-121.19546512
-177.11699133,-1.17504215,-76.33958519,-144.64296468,190.42550249,202.97048787
262.34468241,-2.89940068,0.28011553,-2.00421280

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450867/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.527538

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-14.8725

>  <SCORE.INTRA.DIHEDRAL>
-23.1798

>  <SCORE.INTRA.DIHEDRAL.0>
35.4764

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.28257

>  <SCORE.INTRA.VDW.0>
0.943901

>  <SCORE.INTRA.norm>
-0.464764

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.0164856

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000681

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  226.2705  186.7260  253.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2192  188.2610  253.3467 C   0  0  1  0  0  0  0  0  0  0  0  0
  226.0580  188.9611  251.9888 C   0  0  2  0  0  0  0  0  0  0  0  0
  224.6186  188.7956  251.4753 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.6199  189.2666  252.5346 C   0  0  1  0  0  0  0  0  0  0  0  0
  223.8688  188.5079  253.8637 C   0  0  1  0  0  0  0  0  0  0  0  0
  225.2164  188.7072  254.2819 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9438  189.0387  254.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2025  188.6375  256.1959 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.6869  189.7307  257.1673 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.2488  189.7546  257.2868 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7099  188.5203  257.7279 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.0366  187.4057  256.7153 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.5615  187.2792  256.5491 C   0  0  2  0  0  0  0  0  0  0  0  0
  223.1437  186.7451  257.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4885  186.1524  257.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2480  188.1937  259.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1041  191.1500  256.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6008  191.4286  255.4447 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.8112  190.6904  252.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4748  189.5455  250.2596 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.9869  188.4256  251.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.4672  186.3119  252.5349 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9064  187.3481  258.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.5194  186.2844  257.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.7351  187.4204  259.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.9177  192.3277  255.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.2572  190.9544  253.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
  223.5540  189.3831  249.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.8387  188.9040  250.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
  227.5276  186.8102  251.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  6  0  0  0
  4  5  1  0  0  0  0
  4 21  1  6  0  0  0
  5  6  1  0  0  0  0
  5 20  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  1  0  0  0
 13 14  1  0  0  0  0
 13 16  1  1  0  0  0
 14 15  1  1  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
M  END
>  <CHROM.1>
68.76035990,-54.00702517,179.88764412,178.42634179,-172.42830003,-168.50355697
151.80273480,58.85628676,171.30167095,61.44169308,65.16934464,-178.42776409
223.63203172,188.62384310,254.76488161,-0.46951646,-0.82835905,2.56429863

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450868/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-2.35474

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-11.7547

>  <SCORE.INTRA.DIHEDRAL>
-14.2677

>  <SCORE.INTRA.DIHEDRAL.0>
19.6154

>  <SCORE.INTRA.POLAR>
-0.95617

>  <SCORE.INTRA.POLAR.0>
-1.31073

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.36989

>  <SCORE.INTRA.VDW.0>
-0.0475846

>  <SCORE.INTRA.norm>
-0.511075

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
-0.10238

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000628

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  205.4153  197.7510  243.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0344  197.5666  244.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2310  198.8039  245.3935 N   0  3  0  0  0  0  0  0  0  0  0  0
  204.7916  199.5899  244.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.5200  198.8016  246.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0048  198.8175  246.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7015  199.1783  245.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8977  200.5682  246.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6225  201.6622  245.2875 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3137  202.0119  245.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5008  201.1961  244.6004 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9095  203.4271  245.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9456  204.3302  245.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6912  205.6970  245.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4007  206.1905  245.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3584  205.3159  245.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6210  203.9378  245.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5031  203.0842  244.6791 N   0  3  0  0  0  0  0  0  0  0  0  0
  202.1661  202.2254  245.5184 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9639  203.2646  243.5856 O   0  5  0  0  0  0  0  0  0  0  0  0
  207.3359  201.9367  244.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  3   3   1  18   1  20  -1
M  END
>  <CHROM.1>
48.77648191,-66.29421590,169.36397217,-74.06906586,77.69538887,-55.40276352
6.69487254,204.58682061,201.67136293,245.17839197,1.37688589,0.17368164,-3.11776798

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450869/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.53734

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.652632

>  <SCORE.INTRA>
-8.86266

>  <SCORE.INTRA.DIHEDRAL>
-3.36531

>  <SCORE.INTRA.DIHEDRAL.0>
6.06269

>  <SCORE.INTRA.POLAR>
-1.5

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.08001

>  <SCORE.INTRA.VDW.0>
2.66811

>  <SCORE.INTRA.norm>
-0.466456

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.186176

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000403

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  197.5789  203.3398  239.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8361  204.6307  239.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2969  205.7232  239.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5080  205.5329  238.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2428  204.2556  237.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7835  203.1431  238.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5698  201.7950  237.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1249  200.7630  238.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9721  199.4620  237.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2598  199.2580  236.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1228  197.9550  235.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4221  197.8014  234.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9020  198.9471  233.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1795  198.8156  232.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0385  200.2622  234.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7372  200.4054  235.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8790  201.6528  236.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.6764  196.8696  236.6355 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5254  198.4603  238.7157 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7874  200.8047  239.8184 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9910  206.6113  237.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5176  207.0076  239.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5152  197.1742  237.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4116  198.9018  239.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.6940  201.7410  240.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3144  207.3887  237.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0774  206.9854  240.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <CHROM.1>
-0.46343271,0.45887382,52.97658771,15.01909810,-0.00921893,-0.28497105,196.56887655
201.54099821,237.27271163,1.19883833,1.35694365,0.82084937

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450870/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.04896

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-0.351038

>  <SCORE.INTRA.DIHEDRAL>
-1.52238

>  <SCORE.INTRA.DIHEDRAL.0>
4.80794

>  <SCORE.INTRA.POLAR>
-0.000443377

>  <SCORE.INTRA.POLAR.0>
-1.74769

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.411661

>  <SCORE.INTRA.VDW.0>
0.418665

>  <SCORE.INTRA.norm>
-0.0159563

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.274953

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002452

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  216.6452  180.4703  253.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2012  181.6049  252.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4406  182.1338  251.8189 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.1747  183.1381  251.3235 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.4410  183.2209  251.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4632  182.2714  252.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4724  182.0088  253.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8954  180.8811  254.1478 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1577  183.3958  254.7388 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.9249  184.6571  254.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3546  185.8806  253.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4325  186.8762  253.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0752  186.6584  253.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6387  185.4711  254.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5637  184.4759  254.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9325  187.8569  253.3667 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.2994  184.1789  251.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6275  183.9341  251.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1325  182.8559  251.9989 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3101  185.0937  251.5318 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7386  185.0561  251.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3866  186.3033  251.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9617  184.9968  253.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5236  184.0894  250.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
-157.84219677,51.77789156,20.86822837,-127.59536400,12.13658477,178.69664038
165.42251581,218.92658310,184.23439388,252.94603838,2.91045306,0.13863285
0.00146712

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450871/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.20897

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-9.19103

>  <SCORE.INTRA.DIHEDRAL>
-16.1029

>  <SCORE.INTRA.DIHEDRAL.0>
32.0078

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.13957

>  <SCORE.INTRA.VDW.0>
-3.29105

>  <SCORE.INTRA.norm>
-0.38296

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.133707

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000801

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 11  0  0  0  0  0  0  0  0999 V2000
  209.7262  188.5451  246.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2485  188.2482  246.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4073  189.5271  246.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9233  189.2114  246.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0702  190.4799  245.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4366  191.3705  244.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9681  192.4683  244.9098 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9654  190.7179  243.2318 S   0  0  0  0  0  0  0  0  0  0  0  0
  205.9181  191.8063  242.0987 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.4064  191.4675  242.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3490  191.6002  240.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9333  192.1373  240.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <CHROM.1>
179.65275774,-179.15950796,63.41649869,-112.31562487,-166.39285768,72.12558946
68.57000137,206.17316632,190.64631696,244.01504317,-1.03573843,0.38092458
-1.26092950

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450872/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.0935

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03333

>  <SCORE.INTRA>
-2.30652

>  <SCORE.INTRA.DIHEDRAL>
-0.901409

>  <SCORE.INTRA.DIHEDRAL.0>
2.94693

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.85581

>  <SCORE.INTRA.VDW.0>
0.795227

>  <SCORE.INTRA.norm>
-0.19221

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.841124

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.075314

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 39  0  0  0  0  0  0  0  0999 V2000
  185.9874  205.6745  256.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2511  205.3775  257.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1825  206.0744  258.9013 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.9329  205.9004  259.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7009  206.1302  258.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7050  205.3732  257.4595 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.4974  203.9353  257.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1368  203.0971  256.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1952  203.1213  255.4924 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.0288  203.6419  254.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0534  204.2579  253.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.2273  203.3032  253.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2329  202.8407  254.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5563  202.6734  254.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1753  202.6754  252.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6627  202.7427  251.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5353  202.6595  250.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9105  202.4993  250.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4315  202.4034  251.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5616  202.4793  253.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8615  202.3555  254.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1034  202.1788  255.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1710  202.1199  256.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0082  202.2556  257.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7599  202.4405  256.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6720  202.4614  255.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4578  202.6565  255.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8401  202.1135  256.7232 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1701  206.9321  259.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3417  207.1422  258.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3624  207.9898  259.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2318  208.6565  260.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0783  208.4819  261.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0631  207.6329  260.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
-2.91454048,-74.18402251,61.86423699,-117.05910414,187.99326408,204.20512698
256.08574683,1.84796597,0.00390295,0.97460166

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450873/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.79604

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.276471

>  <SCORE.INTRA>
-2.60396

>  <SCORE.INTRA.DIHEDRAL>
-3.58719

>  <SCORE.INTRA.DIHEDRAL.0>
6.36047

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.810368

>  <SCORE.INTRA.VDW.0>
0.144794

>  <SCORE.INTRA.norm>
-0.0765872

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.199883

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.070164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 43  0  0  0  0  0  0  0  0999 V2000
  193.3782  219.3322  252.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4282  220.5536  252.4856 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.0343  220.0618  252.5859 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8304  219.0017  253.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8346  218.1803  253.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1115  218.3172  253.3577 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5735  217.2565  254.8640 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.3439  217.1288  255.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3145  217.8455  255.1142 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4722  218.8363  254.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5737  219.6199  253.8582 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.2702  216.1625  256.3639 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5939  221.5938  251.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1525  221.0911  250.0723 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8215  220.7271  249.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8400  221.7252  249.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4771  221.4081  249.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0681  220.0755  249.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0353  219.0725  249.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3932  219.3993  249.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6105  219.7728  249.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2114  218.6143  249.7507 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.7579  220.8529  249.8222 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.3045  220.7001  249.8059 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.6381  221.7161  250.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8590  221.4479  252.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3226  221.5621  252.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8394  222.6281  252.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.9727  220.3875  252.5882 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8571  220.9268  248.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1996  220.1095  247.7213 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.2158  222.1205  247.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3077  220.7708  252.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8711  218.1152  253.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.3457  216.6990  255.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.3148  215.2122  256.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.4606  216.3058  256.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.8193  220.4474  249.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.1185  221.7944  249.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.9146  220.4359  252.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.9203  222.2774  246.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  6  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  1  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 40  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 41  1  0  0  0  0
M  END
>  <CHROM.1>
67.27737358,-71.50661739,62.45514712,66.07012689,-177.81478819,140.47068115
-70.36062547,124.32310762,63.67574713,87.57446220,-177.06175332,-179.15102697
188.44549623,219.95268141,251.64126697,-0.59278042,0.05203743,-1.09787914

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450882/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.57875

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-7.82125

>  <SCORE.INTRA.DIHEDRAL>
-2.89965

>  <SCORE.INTRA.DIHEDRAL.0>
8.81996

>  <SCORE.INTRA.POLAR>
-0.533172

>  <SCORE.INTRA.POLAR.0>
-0.466828

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.55865

>  <SCORE.INTRA.VDW.0>
-0.736475

>  <SCORE.INTRA.norm>
-0.244414

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.236836

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001942

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 16  0  0  0  0  0  0  0  0999 V2000
  216.4259  191.2871  246.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1541  192.0481  247.6280 N   0  3  0  0  0  0  0  0  0  0  0  0
  217.1741  191.8521  248.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
  217.7280  192.8181  247.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.6408  190.1396  247.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5500  188.9644  247.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2022  188.5012  246.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3168  188.3010  245.3912 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.1079  189.4035  245.9472 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.8650  187.3346  246.5730 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.4752  189.3257  248.6183 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.8219  187.9621  248.2654 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.0447  190.5564  248.5729 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.6410  189.7984  246.5635 F   0  0  0  0  0  0  0  0  0  0  0  0
  216.4302  191.4920  245.5116 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9665  192.2321  245.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.8869  190.9037  244.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-79.40156562,-59.01267131,-50.79400133,216.51622789,189.55469941,247.03443141
-2.24587733,-0.97021832,2.78622550

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450883/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.73093

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.646154

>  <SCORE.INTRA>
-3.66907

>  <SCORE.INTRA.DIHEDRAL>
-3.33974

>  <SCORE.INTRA.DIHEDRAL.0>
4.69367

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.9992

>  <SCORE.INTRA.VDW.0>
-0.497878

>  <SCORE.INTRA.norm>
-0.282236

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.363918

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.061923

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  207.3915  195.4087  244.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1448  194.0352  244.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8786  193.5146  244.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8701  194.4075  243.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1168  195.7830  243.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3758  196.2761  244.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6790  197.9672  244.0742 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.2854  193.8674  243.4570 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  205.6319  192.0293  244.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7322  191.3245  244.7270 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.6516  191.6877  245.2115 F   0  0  0  0  0  0  0  0  0  0  0  0
  205.2781  191.4980  243.1297 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
0.01923193,205.57672880,194.17863221,244.11074913,-1.30869043,0.28924450
3.04624322

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450884/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.39986

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-0.000136002

>  <SCORE.INTRA.DIHEDRAL>
-8.81469e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.720081

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.19291e-05

>  <SCORE.INTRA.VDW.0>
-0.779958

>  <SCORE.INTRA.norm>
-1.13335e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.533322

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002489

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 40  0  0  0  0  0  0  0  0999 V2000
  195.0497  228.3955  259.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1043  227.2851  260.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7545  226.3777  261.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9830  225.3256  261.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9631  225.0532  262.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2349  223.9522  263.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4666  223.1665  262.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4490  223.4803  261.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2156  224.5319  260.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5920  222.0831  263.1582 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.3573  221.0498  263.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6303  220.6020  263.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1832  219.6992  264.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3187  220.0610  266.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9211  219.1454  267.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3389  217.8818  266.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1479  217.5156  265.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5728  218.4194  264.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9072  217.0997  267.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0473  216.3429  267.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8739  221.3919  266.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6028  220.9536  263.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3846  220.6167  265.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3177  219.5556  265.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3517  221.7340  265.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5258  221.8272  266.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5845  222.5945  264.0771 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.6962  223.7130  263.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3684  225.0497  263.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8723  225.5465  265.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5131  226.7304  265.1714 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.6486  227.4622  264.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1649  227.0693  262.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5165  225.8438  262.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6480  225.8976  263.8297 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4733  225.2886  264.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2696  221.5508  262.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  7  1  1  0  0  0
 10 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
179.72218337,-131.50473676,-133.75345211,-58.67004058,-63.42116719,-3.33968610
-139.38634054,-75.21926516,-65.03181398,193.09475019,222.75290813,264.08795325
-1.78534466,-0.27127531,2.61671479

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450885/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.25165

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.372222

>  <SCORE.INTRA>
-8.14835

>  <SCORE.INTRA.DIHEDRAL>
0.308272

>  <SCORE.INTRA.DIHEDRAL.0>
21.07

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.00238194

>  <SCORE.INTRA.REPUL.0>
0.00238194

>  <SCORE.INTRA.VDW>
-8.29058

>  <SCORE.INTRA.VDW.0>
2.72542

>  <SCORE.INTRA.norm>
-0.226343

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.145879

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  217.7659  190.4744  251.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7643  191.5268  251.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9628  192.6922  252.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7658  193.4613  252.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6878  192.8607  251.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1442  191.3762  251.1054 S   0  0  0  0  0  0  0  0  0  0  0  0
  213.3040  193.3135  251.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3965  192.6463  251.2236 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0194  194.7011  252.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0525  194.6685  253.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6164  193.8312  254.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3342  192.6584  254.7777 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.6003  194.5107  255.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2295  193.7804  256.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1942  192.7598  255.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3771  193.0501  255.4971 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5913  191.5691  255.2657 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2475  190.4552  254.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6340  190.3497  254.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3029  189.2375  254.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6307  188.2452  253.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2521  188.3675  253.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5723  189.4587  253.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4041  186.9054  252.8113 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  218.7304  189.1398  254.4935 N   0  3  0  0  0  0  0  0  0  0  0  0
  219.4219  190.0705  254.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.1467  188.1723  255.1429 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.5731  191.5424  255.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
-174.27522382,-116.66930806,59.44765286,-97.69462485,-178.19443141,76.69349830
93.18510717,18.53058961,215.54651142,191.26199727,253.49590698,0.22111330
0.84122133,-1.86729116

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450886/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.11586

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-9.28414

>  <SCORE.INTRA.DIHEDRAL>
-2.83641

>  <SCORE.INTRA.DIHEDRAL.0>
9.3256

>  <SCORE.INTRA.POLAR>
-0.452649

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.32693

>  <SCORE.INTRA.VDW.0>
0.84732

>  <SCORE.INTRA.norm>
-0.343857

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.152439

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 34  0  0  0  0  0  0  0  0999 V2000
  194.6114  209.8008  257.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1034  211.1319  257.7963 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.4679  212.0088  256.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0340  213.3527  256.9549 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0695  214.1560  257.8386 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.3974  213.2831  258.9758 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.9402  211.8288  258.5687 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.7150  210.8559  259.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0698  210.2140  260.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9459  210.9500  259.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0137  211.6302  259.4820 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.2015  211.8380  260.8813 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.4561  212.7735  261.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2909  212.6355  261.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1872  214.0334  262.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4780  215.0869  262.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1688  216.2469  262.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4854  216.4340  262.7494 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1504  215.4149  262.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5558  214.2118  261.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2976  214.1138  259.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9784  215.2676  260.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7498  216.1627  259.3998 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7568  215.4563  258.4227 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.0880  216.5414  257.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6148  217.8239  257.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9075  218.3391  259.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3830  217.3811  260.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1348  215.0778  259.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4535  211.0128  261.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  6  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-75.63672622,75.22700673,171.97084753,195.89333142,213.90447847,259.74099976
2.34708298,1.06784680,2.87547615

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450887/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.62859

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.289655

>  <SCORE.INTRA>
-4.77141

>  <SCORE.INTRA.DIHEDRAL>
-2.95166

>  <SCORE.INTRA.DIHEDRAL.0>
3.75599

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.29558

>  <SCORE.INTRA.VDW.0>
-0.92576

>  <SCORE.INTRA.norm>
-0.164531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
29

>  <SCORE.norm>
0.125124

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000061

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  185.1011  212.7995  256.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6995  214.0924  255.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8634  214.1665  254.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5398  215.5055  256.0701 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.9431  216.7891  254.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5279  216.5198  253.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0535  216.6700  253.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6289  216.2964  252.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1612  216.3532  252.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7924  215.2873  253.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3408  213.6390  252.3846 S   0  0  0  0  0  0  0  0  0  0  0  0
  187.9007  213.3033  253.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7105  213.8118  254.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9263  212.3478  252.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
173.68005538,-68.41445592,-65.21379262,175.84860511,-176.07466656,66.26701212
62.56539025,-93.38652042,-25.71068576,186.88268049,214.77395809,253.93403403
-3.12242580,0.62214279,-0.12445205

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450888/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.3586

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.02857

>  <SCORE.INTRA>
-0.0413808

>  <SCORE.INTRA.DIHEDRAL>
2.75403

>  <SCORE.INTRA.DIHEDRAL.0>
0.000128705

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.4184

>  <SCORE.INTRA.VDW.0>
-0.633646

>  <SCORE.INTRA.norm>
-0.00295577

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
1.02562

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.054787

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 23  0  0  0  0  0  0  0  0999 V2000
  197.2907  217.9843  252.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1217  216.7255  252.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1171  216.9049  251.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9493  215.6461  250.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9457  215.8230  249.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7826  214.5636  249.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7848  214.7378  248.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6361  213.4803  248.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6428  213.6171  247.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6714  212.8203  246.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6011  212.9751  245.0579 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5405  212.2267  244.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5748  211.2873  242.8588 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.3085  217.8119  253.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4783  219.0716  253.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4940  218.9013  254.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6603  220.1625  254.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6721  219.9958  256.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8254  221.2558  256.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8380  221.1293  257.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8238  221.9401  258.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9098  221.7961  259.5192 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9805  222.5582  260.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9610  223.5166  261.6923 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
-179.22429661,179.91615228,179.96728735,179.95833552,179.99232202,179.94000841
-179.99313305,-179.89482013,-119.69407520,-179.88262349,179.98312404,179.92785950
-179.83761894,179.92835174,-179.76476610,120.12977785,-179.97044185,197.73673333
217.37480235,252.27261797,2.30529188,-0.28263206,1.21747459

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450906/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
22.4017

>  <SCORE.INTER>
22.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
17

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
0.00165514

>  <SCORE.INTRA.DIHEDRAL>
0.00316817

>  <SCORE.INTRA.DIHEDRAL.0>
0.000252233

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
7.10595e-05

>  <SCORE.INTRA.VDW.0>
-2.53613

>  <SCORE.INTRA.norm>
6.89643e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.933402

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007592

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  185.5670  216.9986  242.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2921  218.0937  243.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4085  219.3899  243.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1098  220.4238  244.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1949  221.6040  244.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.7366  220.0091  245.9287 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.6447  218.7418  246.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9028  217.7740  245.2220 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.1575  218.1134  247.7022 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.7624  217.6699  248.4672 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.6000  217.2043  249.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3690  216.4985  247.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5685  215.7899  246.9260 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0883  214.7702  246.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3786  214.0122  245.5027 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.5637  214.5883  246.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1483  213.6653  245.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5378  213.5458  245.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3333  214.3343  245.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7436  215.2484  246.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3539  215.3851  246.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7330  216.3127  247.7317 N   0  0  0  0  0  0  0  0  0  0  0  0
  184.8481  216.8030  245.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.2972  216.8888  248.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 22  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <CHROM.1>
-99.21761192,174.80780809,-20.02327995,186.24609248,216.93212133,246.14515335
-2.78877113,-0.90883429,1.86276304

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450908/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.01517

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-3.38483

>  <SCORE.INTRA.DIHEDRAL>
-0.0168342

>  <SCORE.INTRA.DIHEDRAL.0>
2.74341

>  <SCORE.INTRA.POLAR>
-0.661201

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12833

>  <SCORE.INTRA.VDW.0>
-1.13211

>  <SCORE.INTRA.norm>
-0.153856

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.227962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000013

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  204.1522  210.5486  251.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6629  210.6927  251.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0772  211.9109  250.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9593  209.4451  250.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3878  210.7105  253.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9848  211.7907  254.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5057  213.2187  253.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5859  211.5473  255.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5446  211.7096  254.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2383  210.5121  254.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6150  210.3609  254.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3132  211.4712  253.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6762  212.7001  253.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3016  212.8190  253.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6372  211.4445  253.2909 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2645  209.0369  254.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4590  208.0506  253.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3917  207.4010  252.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6014  206.6054  251.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8832  206.4475  250.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9688  207.0522  251.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7545  207.8435  252.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1337  205.5338  249.5643 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  204.7567  207.5625  253.1770 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.9563  210.5292  253.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
60.21237115,61.74649660,-54.80143134,97.70133582,4.63885173,-69.11346576
205.55876617,209.50342521,252.63625197,2.27496817,-0.25420936,0.61434719

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450909/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.93659

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-5.46341

>  <SCORE.INTRA.DIHEDRAL>
-1.14634

>  <SCORE.INTRA.DIHEDRAL.0>
3.37873

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.89024

>  <SCORE.INTRA.VDW.0>
4.39769

>  <SCORE.INTRA.norm>
-0.227642

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.205691

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002050

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 21  0  0  0  0  0  0  0  0999 V2000
  196.3380  214.7594  266.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0190  214.8307  266.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8714  215.7088  264.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6327  215.7615  264.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5501  214.9776  264.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7127  214.1026  265.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9444  214.0348  266.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3940  215.1444  263.9222 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5959  216.0113  262.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1661  216.7177  262.9214 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.5696  216.4076  261.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8129  217.3472  260.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8090  217.6965  260.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5552  217.0854  260.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2929  216.1847  261.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2952  215.8274  262.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5204  217.5387  259.2749 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2857  216.8990  258.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.6994  217.8506  259.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
179.10664827,108.84295674,191.85381519,215.96372765,263.14139236,-0.73505250
-0.30499168,-0.86868949

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450910/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.4995

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.435294

>  <SCORE.INTRA>
-1.9005

>  <SCORE.INTRA.DIHEDRAL>
-3.83226

>  <SCORE.INTRA.DIHEDRAL.0>
4.24153

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0156277

>  <SCORE.INTRA.VDW.0>
-0.602845

>  <SCORE.INTRA.norm>
-0.111794

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.3235

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000114

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  203.9960  189.5310  246.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9224  190.4474  245.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7516  191.5991  245.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.7481  192.5038  244.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5050  192.1889  243.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5534  193.1842  242.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8222  194.5052  242.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0536  194.8323  243.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0274  193.8349  244.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3048  194.1495  246.1393 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3591  196.2244  244.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3648  196.6274  245.4528 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5719  197.9463  245.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6143  198.5502  247.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7177  200.0011  246.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8913  200.4065  245.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7417  199.1476  244.5092 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.1466  201.7985  245.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5473  202.6854  246.3051 N   0  3  1  0  0  0  0  0  0  0  0  0
  206.4006  203.6520  245.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.6225  202.4538  247.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7187  201.0094  248.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0063  202.5616  246.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5521  197.8393  248.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1372  198.3943  249.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0407  196.5695  248.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8365  195.8259  249.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2691  192.7168  240.3635 Br  0  0  0  0  0  0  0  0  0  0  0  0
  205.1756  195.1177  246.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  1  19   1
M  END
>  <CHROM.1>
-179.59033107,-27.61997370,168.36191365,-161.82770763,-179.77369693,-154.48212938
-172.83093015,205.23036266,196.11737148,244.93248465,2.97896875,-1.38624448
-1.24884915

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450911/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.98688

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-2.41312

>  <SCORE.INTRA.DIHEDRAL>
2.37172

>  <SCORE.INTRA.DIHEDRAL.0>
2.67999

>  <SCORE.INTRA.POLAR>
-0.588463

>  <SCORE.INTRA.POLAR.0>
-0.334386

>  <SCORE.INTRA.REPUL>
-0.312935

>  <SCORE.INTRA.REPUL.0>
0.477602

>  <SCORE.INTRA.VDW>
-0.0335351

>  <SCORE.INTRA.VDW.0>
2.8913

>  <SCORE.INTRA.norm>
-0.0893748

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.332847

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000088

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  198.8777  210.7749  252.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8695  210.0288  253.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1635  209.9521  252.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4374  210.6082  251.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4434  211.3521  251.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1659  211.4420  251.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7974  212.1708  249.5795 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.2397  209.1567  253.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8135  209.8969  254.7185 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5892  209.4674  255.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8794  208.3929  256.3197 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.1007  210.1204  256.9690 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.2759  207.4960  256.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.9026  208.4424  256.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.4514  209.4521  257.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.4533  210.7694  257.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <CHROM.1>
-79.47954428,112.02415807,67.34054045,-138.44058118,201.19770662,210.46512636
253.03479529,1.89874277,-0.06354644,-1.14600113

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450912/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.56405

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-1.83595

>  <SCORE.INTRA.DIHEDRAL>
-2.31915

>  <SCORE.INTRA.DIHEDRAL.0>
4.08503

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.676375

>  <SCORE.INTRA.VDW.0>
-0.36762

>  <SCORE.INTRA.norm>
-0.152996

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.630337

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007445

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  200.8080  203.8762  255.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4604  204.5966  254.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5926  205.9891  254.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2083  206.7089  253.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7027  205.9982  252.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5680  204.5946  252.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9556  203.9031  253.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4043  206.6242  251.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3141  208.2104  253.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2076  208.6776  254.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6726  208.2650  254.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8038  206.7696  254.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2646  206.0414  253.9256 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3999  206.3032  255.9957 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4896  205.3343  256.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
64.86059561,62.20936230,-67.50549012,120.04284956,-179.53015637,203.01329605
206.19648181,253.98013161,3.13998836,-0.88102131,-1.45092461

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450913/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.09822

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-2.30178

>  <SCORE.INTRA.DIHEDRAL>
-0.442987

>  <SCORE.INTRA.DIHEDRAL.0>
2.50172

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.08028

>  <SCORE.INTRA.VDW.0>
-0.243347

>  <SCORE.INTRA.norm>
-0.164413

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.507016

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006209

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  201.5939  192.9547  247.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6836  192.3312  246.8259 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.0520  192.9247  245.4428 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.5598  192.8103  245.2050 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.3089  193.4945  246.3609 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.9872  192.8188  247.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6921  193.3853  246.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6829  194.0679  247.1350 P   0  0  0  0  0  0  0  0  0  0  0  0
  205.4931  195.5176  247.4242 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5645  193.1097  248.4049 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1258  193.6785  246.5815 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.8877  191.4028  245.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3644  192.2396  244.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2562  192.4957  247.1331 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6318  192.8728  248.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.2053  192.7179  246.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3455  191.0187  244.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4125  192.3853  244.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0016  193.4787  247.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.0093  192.0401  248.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  1  0  0  0
  3  4  1  0  0  0  0
  3 13  1  6  0  0  0
  4  5  1  0  0  0  0
  4 12  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <CHROM.1>
59.89695029,61.77796029,57.26399775,178.06346960,-55.58204904,-43.29763806
-52.59259867,203.33648909,193.15092544,246.59629371,2.84864742,-0.20887405
-1.89957164

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450914/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.44337

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-6.95663

>  <SCORE.INTRA.DIHEDRAL>
-7.94901

>  <SCORE.INTRA.DIHEDRAL.0>
9.04666

>  <SCORE.INTRA.POLAR>
-0.652776

>  <SCORE.INTRA.POLAR.0>
-0.156425

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.762681

>  <SCORE.INTRA.VDW.0>
-0.545918

>  <SCORE.INTRA.norm>
-0.496902

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.103098

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.064324

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 43  0  0  0  0  0  0  0  0999 V2000
  207.1861  201.6407  247.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8325  201.2346  246.7455 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4912  199.6235  246.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7686  199.3799  244.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5722  200.9191  243.6280 C   0  0  2  0  0  0  0  0  0  0  0  0
  204.4100  201.1743  242.1090 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3091  199.7092  241.6717 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.7445  199.3092  241.9509 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.0940  200.3224  242.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2313  198.2645  242.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1407  198.4895  243.8638 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.6005  198.9218  242.7665 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2900  200.0611  243.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0875  200.6529  244.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7460  201.1344  245.6597 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.4887  199.8960  245.1665 C   0  0  1  0  0  0  0  0  0  0  0  0
  206.5055  199.0032  246.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8876  199.4730  248.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5035  200.7460  248.7017 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.2646  201.4249  247.4548 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.7553  202.9717  247.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5900  203.8357  248.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9945  203.3133  248.7167 C   0  0  2  0  0  0  0  0  0  0  0  0
  205.0159  201.9653  249.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1357  204.0097  248.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1957  204.6941  248.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4233  204.8904  249.6971 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.0881  205.2623  247.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7916  200.8037  247.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2523  202.3083  245.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.7232  197.7170  242.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8664  202.4390  241.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1717  202.4936  244.3250 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0660  202.3936  245.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3886  203.8571  244.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4012  204.0977  243.5943 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5287  204.9286  245.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4725  202.7499  245.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  1  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 30 38  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <CHROM.1>
73.07612536,103.59163211,-0.44723277,-15.93864616,204.75108799,201.49099530
245.58810884,-0.10604127,1.32543688,2.63774715

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450915/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.161

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.227027

>  <SCORE.INTRA>
-3.239

>  <SCORE.INTRA.DIHEDRAL>
-4.06187

>  <SCORE.INTRA.DIHEDRAL.0>
8.64766

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.20806

>  <SCORE.INTRA.VDW.0>
5.44545

>  <SCORE.INTRA.norm>
-0.0875405

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.139487

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001839

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 35  0  0  0  0  0  0  0  0999 V2000
  175.5528  218.1386  257.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.9132  218.3922  257.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.7016  217.2433  257.3478 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.9729  217.2766  256.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4702  218.2256  256.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.6768  216.0496  257.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.1202  214.8135  257.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8329  213.6944  257.6503 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.0749  213.7621  258.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8524  212.8531  258.7052 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.9619  213.5717  259.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9394  214.8733  258.7593 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.7105  214.9726  258.2143 N   0  0  0  0  0  0  0  0  0  0  0  0
  181.0896  216.2469  257.8251 C   0  0  2  0  0  0  0  0  0  0  0  0
  181.1075  217.1887  259.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6250  218.4772  258.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.6014  219.4013  259.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0919  219.0072  261.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6229  217.6929  261.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6252  216.7930  260.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0572  219.9444  262.1750 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.6414  219.5688  263.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0750  220.6819  259.7391 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0804  221.6280  259.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0836  212.9855  259.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.7449  214.5725  256.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.2903  215.1925  255.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.0258  214.8942  255.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.2064  213.9750  255.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.6440  213.3631  256.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.9058  213.6652  257.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3603  212.7957  257.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <CHROM.1>
179.70222995,3.62205641,43.91344618,45.45005180,-107.82971729,91.48532044
-128.59463222,179.83482317,216.50889798,258.44762863,2.34189679,0.52162051
-2.81339576

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450916/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.06765

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-7.33235

>  <SCORE.INTRA.DIHEDRAL>
-3.38981

>  <SCORE.INTRA.DIHEDRAL.0>
23.0017

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.63744

>  <SCORE.INTRA.VDW.0>
3.73295

>  <SCORE.INTRA.norm>
-0.236527

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.163473

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  206.4822  202.6511  237.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6050  202.8782  236.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0096  201.6850  236.1693 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.0660  201.4021  235.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0815  199.9857  234.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4277  201.8401  235.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5935  201.0624  236.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6287  199.5505  236.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9074  201.6117  235.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5339  201.3278  237.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3695  200.7727  238.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.1972  201.0869  239.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9005  201.8129  240.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9589  200.4706  240.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1645  199.6932  239.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8934  199.2965  240.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4218  199.6219  241.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2289  200.4023  242.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5011  200.8135  241.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0795  199.4069  241.6303 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9218  198.6408  242.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.5659  200.2445  241.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
78.27146073,-159.63917816,103.52176291,70.59046335,66.75555033,-173.65066382
1.83174233,0.06198096,108.59836742,208.12120452,200.88627353,238.39986039
2.17487137,0.16280537,1.67706970

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450917/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34076

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.72

>  <SCORE.INTRA>
-9.05924

>  <SCORE.INTRA.DIHEDRAL>
-7.4464

>  <SCORE.INTRA.DIHEDRAL.0>
11.7981

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.33604

>  <SCORE.INTRA.VDW.0>
3.34143

>  <SCORE.INTRA.norm>
-0.452962

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.267038

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001369

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  226.2325  181.5807  246.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7055  181.7565  247.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.3411  183.0331  247.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4931  184.1430  247.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0134  183.9717  245.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3840  182.6802  245.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.1525  185.0431  244.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.7413  186.1720  245.1010 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.7117  184.7195  243.6119 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.8307  185.5346  242.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.2784  185.0468  241.4639 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.4132  186.8250  242.6783 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.2774  187.8460  241.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.8016  189.0812  242.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5797  190.1316  241.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9252  189.9918  239.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.3615  188.7373  239.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5309  187.6704  240.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7090  188.4069  237.6316 Br  0  0  0  0  0  0  0  0  0  0  0  0
  225.7607  190.9827  238.9819 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.2616  192.2515  239.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6631  193.2984  238.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0708  194.6213  238.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0721  194.9040  239.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.6861  193.8772  240.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.3095  192.5502  240.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.5688  196.5308  239.8470 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.3965  192.9968  237.3399 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.8167  191.5484  241.9131 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.9670  185.6660  247.7626 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  227.0320  183.7787  243.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.1680  187.0617  243.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-2.67659279,178.84349723,52.09620133,-157.32104237,226.11974105,188.88530465
241.55420011,-1.94160533,1.46407161,-0.29812368

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450918/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.9124

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.313333

>  <SCORE.INTRA>
-1.4876

>  <SCORE.INTRA.DIHEDRAL>
-3.78558

>  <SCORE.INTRA.DIHEDRAL.0>
7.33191

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.405187

>  <SCORE.INTRA.VDW.0>
-1.55638

>  <SCORE.INTRA.norm>
-0.0495867

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.263747

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000084

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  200.2133  200.1568  250.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2845  198.6624  250.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7073  197.8604  249.3631 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3421  198.1088  248.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3157  199.6050  247.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8866  200.4962  248.7743 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3604  200.3695  248.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1199  201.2562  247.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9065  203.0156  248.2564 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.6270  203.4710  247.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8444  204.3017  246.1950 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.7888  204.5873  245.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9106  205.3088  244.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3975  204.0386  245.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3035  203.1440  246.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4363  202.8754  247.4011 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1635  202.4570  247.0402 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3962  204.5241  244.8373 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0323  204.5456  245.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4728  204.0686  246.0175 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2958  205.2367  243.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9377  205.4437  243.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7729  206.1901  242.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0379  206.3868  242.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9702  205.8205  242.9545 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3797  202.1638  248.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.0386  201.6040  246.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.3227  203.0192  246.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7355  205.1101  244.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-154.26726058,66.95361492,-98.52795617,-112.96200447,-160.51313800,84.83713217
178.94534723,199.53363673,202.82477507,246.55490334,1.00004506,0.25102183
2.53618933

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450919/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20154

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-6.19846

>  <SCORE.INTRA.DIHEDRAL>
2.29642

>  <SCORE.INTRA.DIHEDRAL.0>
3.86587

>  <SCORE.INTRA.POLAR>
-1.48067

>  <SCORE.INTRA.POLAR.0>
-0.495544

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.3124

>  <SCORE.INTRA.VDW.0>
-0.848338

>  <SCORE.INTRA.norm>
-0.247938

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.248062

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  212.1639  193.6971  241.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1691  193.1436  242.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1209  191.7547  243.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0334  190.9203  242.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0704  191.4887  240.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1809  192.8758  240.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2484  193.3465  239.2328 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3342  194.5961  238.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3165  195.7053  239.7019 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.4881  194.9534  237.6329 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.1429  191.0515  244.7397 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.7921  191.9930  245.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8244  190.5230  245.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1698  189.8113  244.6312 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.8965  196.4601  239.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.3760  196.0341  239.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.8244  195.6820  237.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.4337  195.2243  237.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.0377  190.1771  244.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <CHROM.1>
-25.20527670,1.70126739,146.46846334,131.24881367,59.61872984,212.22689104
192.42590180,242.20101473,-1.21801795,1.52042782,1.78468143

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450920/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.48887

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.671429

>  <SCORE.INTRA>
-1.91113

>  <SCORE.INTRA.DIHEDRAL>
-4.23514

>  <SCORE.INTRA.DIHEDRAL.0>
6.38906

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.206435

>  <SCORE.INTRA.VDW.0>
-1.10428

>  <SCORE.INTRA.norm>
-0.13651

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.534919

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005473

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  192.5253  225.2405  254.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7591  224.2205  253.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7251  222.9216  253.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8887  221.9308  253.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8744  220.7423  253.4235 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.0988  222.4052  252.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1767  223.7317  251.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0145  224.6457  252.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0910  225.9272  251.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3578  226.2760  250.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5154  225.3528  249.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4048  224.0599  250.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4773  223.0625  249.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7663  225.6106  248.8327 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1378  226.8842  248.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4555  222.3629  255.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8528  221.8135  254.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8284  220.7527  253.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7360  219.5470  253.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.9660  221.1818  252.3711 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.1371  222.5507  251.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2808  222.6058  250.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4829  221.2303  250.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7448  220.2852  251.2234 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9370  219.3433  250.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7054  219.4346  250.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0173  218.3087  251.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3618  218.3862  252.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-92.68441312,-40.12934983,-55.53367536,-92.68163359,-108.56698766,-7.10439202
191.98799570,222.60999986,251.85802142,3.03903603,0.85807138,-1.80677894

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450921/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.43895

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-5.96105

>  <SCORE.INTRA.DIHEDRAL>
2.79264

>  <SCORE.INTRA.DIHEDRAL.0>
2.96415

>  <SCORE.INTRA.POLAR>
-0.459877

>  <SCORE.INTRA.POLAR.0>
-0.279641

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.79379

>  <SCORE.INTRA.VDW.0>
2.33304

>  <SCORE.INTRA.norm>
-0.22078

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.164405

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001444

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  191.9238  214.8025  251.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1185  214.5856  251.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3532  214.2219  251.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6126  214.0056  252.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8494  213.6499  253.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8676  213.4837  252.4312 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7007  213.6691  251.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4844  214.0324  250.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2729  214.2344  249.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0650  214.5886  248.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9140  214.7894  249.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8314  215.1353  248.9649 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2154  215.1788  247.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4134  215.4972  246.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9823  215.4840  245.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3374  215.1556  245.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1468  214.8351  246.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5639  214.8546  247.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9165  213.4481  250.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2459  214.5752  249.4749 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.0188  213.0938  250.8749 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.7122  212.4750  249.2377 F   0  0  0  0  0  0  0  0  0  0  0  0
  197.7903  213.2091  252.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <CHROM.1>
-119.71762715,194.87559008,214.29449166,249.54710126,2.40414723,0.24948524
-1.46747812

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450922/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.36335

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-0.0366516

>  <SCORE.INTRA.DIHEDRAL>
-5.52603e-06

>  <SCORE.INTRA.DIHEDRAL.0>
0.719993

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0366488

>  <SCORE.INTRA.VDW.0>
-0.655118

>  <SCORE.INTRA.norm>
-0.00166598

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.289243

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000409

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  217.6493  189.5736  247.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9213  189.6833  248.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8451  188.6483  248.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4960  187.5035  247.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2261  187.4156  246.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2768  188.4504  247.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9578  188.3712  246.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6006  187.2624  245.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3788  187.2080  244.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4815  188.2686  244.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7847  189.3643  245.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0164  189.4151  246.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9051  188.1774  244.1614 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.0234  187.4199  245.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5497  189.5221  243.7473 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1288  187.2326  242.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1312  187.6002  241.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2883  186.8782  240.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4384  185.8009  240.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4377  185.4368  241.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2767  186.1600  242.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6778  185.0581  239.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5568  185.3718  238.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.8300  184.0322  238.8034 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.1937  188.7724  248.7759 N   0  3  0  0  0  0  0  0  0  0  0  0
  221.4742  189.8216  249.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.9749  187.8235  248.6163 O   0  5  0  0  0  0  0  0  0  0  0  0
  211.9625  183.5395  237.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
178.35889992,83.06852414,-53.06127055,-1.54834965,179.28023557,215.05585333
187.64851607,244.56193906,0.76488825,-0.21602354,1.01115610

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450923/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.75698

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.348148

>  <SCORE.INTRA>
-2.64302

>  <SCORE.INTRA.DIHEDRAL>
-5.43898

>  <SCORE.INTRA.DIHEDRAL.0>
7.72222

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0764666

>  <SCORE.INTRA.VDW.0>
-1.32333

>  <SCORE.INTRA.norm>
-0.0978898

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.250258

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009282

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  216.5071  185.4931  234.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4124  186.5024  233.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
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  217.2951  188.6187  236.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4899  188.2825  238.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8375  187.5742  238.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8932  186.8252  239.3446 O   0  0  0  0  0  0  0  0  0  0  0  0
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  216.6241  183.3999  239.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
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  216.7006  182.7856  237.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
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  216.8451  181.6777  235.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9392  180.8873  235.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4259  181.7560  234.1539 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.2110  182.8010  233.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7297  183.6337  234.6212 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5870  183.4108  235.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4213  183.7943  236.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.4882  182.9472  232.0957 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.0339  181.1499  233.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.9138  181.7023  231.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 24  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-135.39521239,75.00494000,-160.54522122,68.73053236,-154.17060530,-153.67415617
-52.41346947,217.56132463,184.69715850,236.38170310,-1.45429339,1.50197061
0.87839038

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450924/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.57427

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.476923

>  <SCORE.INTRA>
-3.82573

>  <SCORE.INTRA.DIHEDRAL>
-2.08517

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.78315

>  <SCORE.INTRA.VDW.0>
0.549764

>  <SCORE.INTRA.norm>
-0.147144

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.32978

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 49 54  0  0  0  0  0  0  0  0999 V2000
  194.1747  200.1190  260.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5689  200.6385  260.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
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  195.5021  201.8532  261.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
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  196.5861  200.9314  263.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
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  196.9888  199.7695  262.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
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  199.7074  198.6219  265.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.5440  197.4096  265.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 12 48  1  0  0  0  0
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 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
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 18 35  1  0  0  0  0
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 21 20  1  1  0  0  0
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 23 22  1  6  0  0  0
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 25 26  1  0  0  0  0
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M  END
>  <CHROM.1>
114.40818184,-152.46858009,-176.37397459,112.80570843,-36.83071018,179.16766730
66.82188328,-63.13229044,59.87114980,64.07627502,-121.72115833,193.03397773
204.94695507,258.32429725,0.40778818,1.01160831,-2.89822405

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450925/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.31819

>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
47

>  <SCORE.norm>
0.0705997

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 22  0  0  0  0  0  0  0  0999 V2000
  198.6073  210.9534  256.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4755  212.2195  256.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4504  213.1291  256.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9833  214.4142  256.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8717  215.4423  255.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2472  215.2012  255.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
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  202.2050  216.1341  255.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7561  217.2306  254.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8414  218.3052  254.6107 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1102  217.6381  254.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8135  217.0274  252.7345 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.8232  215.7528  252.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0732  214.8065  253.5716 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.5562  215.1682  251.4525 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3595  219.3376  253.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0507  214.5959  253.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6066  215.0013  254.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0241  214.2667  251.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5649  215.0693  251.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.0446  220.0214  253.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 21  1  0  0  0  0
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M  END
>  <CHROM.1>
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-111.23624770,-84.14214531,152.41970640,201.66393045,215.29690632,254.85439933
-2.51344852,0.73900468,0.16064972

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
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>  <SCORE.INTER>
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>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
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>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
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>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
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>  <SCORE.SYSTEM>
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>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.429797

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003216

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  206.6082  192.0257  239.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9006  192.0940  240.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8188  190.9181  241.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5308  190.4429  241.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3859  189.2336  242.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5128  188.5143  242.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7881  188.9983  242.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9405  190.2026  241.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3096  186.8733  243.3367 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.3137  191.1839  240.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0742  190.7663  241.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9257  191.6455  240.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1290  192.7277  240.3847 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7113  191.1273  241.3059 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4962  191.7574  241.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3924  192.9197  240.5525 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0534  193.2797  240.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1587  192.4010  241.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0463  191.1099  241.7734 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.7707  192.6133  241.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2950  193.7379  240.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1498  194.6333  239.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5347  194.4201  239.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9728  193.9542  240.3616 F   0  0  0  0  0  0  0  0  0  0  0  0
  199.6626  190.2857  241.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-122.63775960,-178.86781134,-1.52878514,3.71418231,201.33614338,190.82219244
241.40741185,-0.43942849,0.10583137,-0.56531937

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450927/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.56396

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.391667

>  <SCORE.INTRA>
-6.83604

>  <SCORE.INTRA.DIHEDRAL>
-11.4513

>  <SCORE.INTRA.DIHEDRAL.0>
15.2405

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.11039

>  <SCORE.INTRA.VDW.0>
1.77024

>  <SCORE.INTRA.norm>
-0.284835

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.106832

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000069

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 13  0  0  0  0  0  0  0  0999 V2000
  207.2236  203.8518  249.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7546  203.8703  251.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3045  204.9147  252.2168 C   0  0  2  0  0  0  0  0  0  0  0  0
  206.7715  203.5822  252.2107 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3013  205.9887  251.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8487  207.3760  252.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0964  207.7441  251.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2939  207.7576  252.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8950  208.0508  250.0594 C   0  0  1  0  0  0  0  0  0  0  0  0
  208.4676  207.1213  249.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0577  207.2435  249.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0753  203.1989  251.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  1  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <CHROM.1>
-127.49968516,61.47815976,-107.40693156,-112.81732425,207.65692296,205.84700960
251.05602124,-2.20405647,1.43217484,0.39492724

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450928/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.19182

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.783333

>  <SCORE.INTRA>
-2.20818

>  <SCORE.INTRA.DIHEDRAL>
-2.16088

>  <SCORE.INTRA.DIHEDRAL.0>
5.57282

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.12774

>  <SCORE.INTRA.VDW.0>
-0.577209

>  <SCORE.INTRA.norm>
-0.184015

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.599318

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.051117

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 24  0  0  0  0  0  0  0  0999 V2000
  191.2762  212.9159  244.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5284  214.3425  244.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3190  214.4748  246.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5637  215.9048  246.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3586  216.0162  248.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5982  217.4441  248.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4123  217.5464  250.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6500  218.9765  250.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4784  219.0957  252.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7285  220.5231  252.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5623  220.6811  254.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8113  222.1234  254.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6427  222.2702  256.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9201  223.7003  256.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7998  223.7499  258.1634 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.3036  225.1300  258.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3401  223.4304  258.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7211  222.6741  258.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2067  222.7322  258.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7280  222.1063  257.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1175  222.1287  257.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9738  222.7694  257.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4653  223.4073  259.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0911  223.3793  259.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  1  15   1
M  END
>  <CHROM.1>
-179.70689256,-179.66111857,-179.81071199,-179.18526930,-179.80871302,-179.57493944
179.65995330,179.88248004,-179.80630973,179.99140898,178.28538559,-177.06081457
171.08073105,56.84926474,-86.47673049,192.53719894,220.26314153,253.69863004
-1.73580196,-0.20269793,0.91957001

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450929/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
16.996

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.85

>  <SCORE.INTRA>
-3.40402

>  <SCORE.INTRA.DIHEDRAL>
0.111272

>  <SCORE.INTRA.DIHEDRAL.0>
0.770157

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.45965

>  <SCORE.INTRA.VDW.0>
4.20806

>  <SCORE.INTRA.norm>
-0.141834

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.708166

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.245936

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  189.4783  218.8306  252.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9231  220.1080  252.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4921  220.9442  251.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4669  220.3927  252.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8328  219.7454  253.4013 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.0091  221.4411  251.8837 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.8899  219.1560  253.9308 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.1352  220.3117  255.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7273  221.5157  255.2073 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1658  222.3716  256.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0463  222.1482  256.7459 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.4846  220.9392  256.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0165  219.9217  255.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3362  218.7059  255.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.2906  220.7434  257.3235 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7808  223.5937  256.2247 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.0646  221.6061  252.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.6806  218.7403  254.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.9347  217.8881  255.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.9561  219.8113  257.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.6049  221.4516  257.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4182  223.7805  255.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.0964  224.3040  256.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <CHROM.1>
60.07765443,55.38738184,9.03524590,-179.95501630,-122.68942495,17.61275398
177.10822637,-81.54494348,189.09131060,220.57883588,254.48624815,-1.81097282
0.12620622,1.19041384

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450962/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.58433

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.775

>  <SCORE.INTRA>
-7.81567

>  <SCORE.INTRA.DIHEDRAL>
-1.87747

>  <SCORE.INTRA.DIHEDRAL.0>
5.9823

>  <SCORE.INTRA.POLAR>
-1.16822

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.90499

>  <SCORE.INTRA.VDW.0>
0.619499

>  <SCORE.INTRA.norm>
-0.488479

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.286521

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000093

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 24  0  0  0  0  0  0  0  0999 V2000
  216.8823  174.2103  252.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5263  174.9095  251.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4057  174.9433  250.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9654  175.5736  249.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7143  176.1997  248.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9298  176.1267  250.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3146  175.5061  251.2888 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5510  176.7248  250.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2935  176.8343  247.8739 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.1267  176.8371  246.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3360  176.2470  246.8361 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7546  175.6099  247.9687 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6911  177.5166  245.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5112  177.5560  244.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0935  178.1939  243.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8487  178.8043  243.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0136  178.7908  244.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4332  178.1515  245.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4482  179.4141  242.1017 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.6054  174.1871  250.2226 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2820  174.4379  250.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.0114  174.1355  249.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-63.44232252,-179.80203147,215.91721027,176.63462588,247.55804273,1.35589053
-0.42304218,1.93767240

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450963/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.92412

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-0.475884

>  <SCORE.INTRA.DIHEDRAL>
-0.147064

>  <SCORE.INTRA.DIHEDRAL.0>
0.603715

>  <SCORE.INTRA.POLAR>
-0.0412881

>  <SCORE.INTRA.POLAR.0>
-0.0258855

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.261973

>  <SCORE.INTRA.VDW.0>
-0.135418

>  <SCORE.INTRA.norm>
-0.0237942

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.346206

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  186.3652  214.0990  257.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8474  214.3486  257.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4364  215.5729  257.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8361  215.7353  257.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6251  214.6910  257.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0424  213.4708  258.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6640  213.3107  258.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0289  214.8669  257.9813 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.8830  213.8289  257.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5435  212.7362  257.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1847  214.2168  257.7919 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.2895  213.4116  257.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6012  217.2276  256.9408 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  187.5968  216.6939  256.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3406  215.1661  258.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-138.13729715,2.16795636,190.58456258,214.84120969,257.47726862,2.89255999
0.01821662,-0.21659972

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450964/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.39107

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.528571

>  <SCORE.INTRA>
-0.00893124

>  <SCORE.INTRA.DIHEDRAL>
-0.16991

>  <SCORE.INTRA.DIHEDRAL.0>
2.14009

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0760235

>  <SCORE.INTRA.VDW.0>
-0.252537

>  <SCORE.INTRA.norm>
-0.000637946

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.527933

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000092

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 12 12  0  0  0  0  0  0  0  0999 V2000
  185.8152  210.3172  254.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9714  209.6908  254.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3109  210.1373  253.9508 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.2488  211.4523  253.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0915  212.0844  252.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7338  211.5420  253.3567 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.9824  212.4968  254.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1091  213.5921  252.1222 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.8050  209.1897  253.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9882  208.3172  255.5374 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  184.8822  213.2890  253.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.8910  208.3376  253.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  6  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  1  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <CHROM.1>
-59.58047283,-177.63989782,187.01098378,210.89789639,253.72349640,1.44852148
-0.45578359,2.59616179

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450965/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.95142

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.54

>  <SCORE.INTRA>
-3.44858

>  <SCORE.INTRA.DIHEDRAL>
-6.32967

>  <SCORE.INTRA.DIHEDRAL.0>
6.42707

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.283742

>  <SCORE.INTRA.VDW.0>
-0.0443205

>  <SCORE.INTRA.norm>
-0.344858

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.195142

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007648

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  204.5310  192.9755  246.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7620  194.2483  245.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6804  194.9467  245.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8434  196.1895  244.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1567  196.6732  244.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2198  195.9652  245.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0418  194.7694  245.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4545  197.8069  243.8879 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.4626  198.5736  243.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1108  198.2303  243.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8053  196.9986  244.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3872  196.5617  244.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4403  197.3203  244.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.2336  195.2401  244.5550 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0921  199.1685  242.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5207  200.6391  242.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9392  200.8278  242.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3244  202.0247  241.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6567  202.2368  241.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6089  201.2592  241.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2268  200.0670  242.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8878  199.8250  242.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3218  194.9322  244.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
156.06385754,179.50761395,203.98697158,197.78960180,243.86166185,-1.70905778
-0.03040727,-0.49390316

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450966/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.922

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-1.478

>  <SCORE.INTRA.DIHEDRAL>
-5.08748

>  <SCORE.INTRA.DIHEDRAL.0>
6.76084

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.06574

>  <SCORE.INTRA.VDW.0>
-0.130226

>  <SCORE.INTRA.norm>
-0.0671817

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.223727

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000883

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  210.2995  179.8404  243.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6480  179.1653  243.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7557  177.9651  244.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9583  177.2819  244.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0565  177.7957  243.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9849  179.0139  242.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0941  179.5950  242.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9130  180.7926  241.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9258  181.4340  240.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6837  182.6265  240.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4221  183.1963  240.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4176  182.5678  240.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6380  181.3842  241.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6098  180.8597  242.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7525  179.7044  242.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3170  178.8713  242.1082 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.2051  177.9260  241.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.8742  178.8747  242.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <CHROM.1>
50.32600111,213.71991101,180.11427409,242.27294353,2.10806071,-0.27335341
2.58070634

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450967/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.95683

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.443168

>  <SCORE.INTRA.DIHEDRAL>
-0.176917

>  <SCORE.INTRA.DIHEDRAL.0>
0.60362

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.35471

>  <SCORE.INTRA.VDW.0>
-0.162025

>  <SCORE.INTRA.norm>
-0.027698

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.372302

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000152

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  200.5395  197.7428  252.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1277  197.4309  250.5979 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8531  198.8273  250.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1510  199.5366  250.4437 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.4115  199.0200  251.8988 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.1227  200.0254  252.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8412  200.5586  253.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5912  201.4421  254.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6231  201.8128  255.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9068  201.2988  254.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1536  200.4117  253.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3671  202.7132  256.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1506  203.4348  257.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1987  198.9986  249.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2930  197.6825  249.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3161  196.7818  249.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5190  195.5720  249.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9756  199.9734  248.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8928  199.5666  247.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6339  200.5198  247.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4573  201.8793  247.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5335  202.2916  248.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7950  201.3410  248.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  1  1  1  0  0  0
  2 16  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  1  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  3  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-58.35098732,-175.85171151,201.66024371,199.90517310,251.24926351,2.20172063
0.98967555,0.68304328

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450968/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.6158

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.321739

>  <SCORE.INTRA>
-4.7842

>  <SCORE.INTRA.DIHEDRAL>
-12.6453

>  <SCORE.INTRA.DIHEDRAL.0>
13.428

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.53844

>  <SCORE.INTRA.VDW.0>
-1.58314

>  <SCORE.INTRA.norm>
-0.208009

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.11373

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010417

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 27  0  0  0  0  0  0  0  0999 V2000
  222.4240  183.0422  254.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1673  181.5769  255.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0639  180.8040  255.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8537  179.4419  255.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7540  178.8234  255.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8433  179.5908  254.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0447  180.9657  254.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5229  177.0635  255.6240 S   0  0  1  0  0  0  0  0  0  0  0  0
  220.0502  176.7801  255.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.2660  176.5047  254.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8860  177.1406  252.7664 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.6379  176.7765  251.5024 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.5794  178.0609  250.6462 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.2397  178.1685  250.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1844  178.0411  251.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4954  177.4529  252.4546 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.4971  179.4390  251.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1384  177.1432  250.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.0828  179.3876  251.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9962  179.4389  252.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5569  180.6048  252.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2126  181.8027  252.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3145  181.8049  251.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7482  180.6143  250.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4672  176.1631  251.6928 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  6  0  0  0
  8 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  1  0  0  0
 13 14  1  0  0  0  0
 13 19  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
150.87855602,-48.60721194,172.73908463,23.07746459,222.38001142,178.48472615
252.87320529,-1.90639145,-1.05959520,-2.79502562

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450969/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.03519

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-3.36481

>  <SCORE.INTRA.DIHEDRAL>
-1.29485

>  <SCORE.INTRA.DIHEDRAL.0>
4.50618

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.71738

>  <SCORE.INTRA.VDW.0>
-3.69718

>  <SCORE.INTRA.norm>
-0.134592

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.241408

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002302

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  209.5513  204.4654  239.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5619  203.4630  239.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3427  203.2074  241.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1869  202.2973  241.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0702  201.7160  241.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.9027  202.0435  243.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6658  201.2087  243.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1291  201.2379  245.1666 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0208  202.0459  245.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8310  202.5658  243.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7796  203.5086  243.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0832  203.2872  242.5068 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5463  204.7735  244.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9293  205.9079  243.5489 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2021  205.9196  243.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3155  205.3132  243.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5638  205.3772  243.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7017  206.0502  241.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6008  206.6662  241.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3550  206.5988  241.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2389  206.1146  241.0386 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  209.3138  202.2556  246.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8576  200.3663  243.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5076  200.7386  245.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
178.69574123,-0.60139165,-176.52708815,52.97532899,112.15303942,-54.99214469
-30.46684626,210.92714024,203.87945925,242.63518712,1.08754292,0.50641504
-0.48531470

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450986/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.41111

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-3.98889

>  <SCORE.INTRA.DIHEDRAL>
0.302459

>  <SCORE.INTRA.DIHEDRAL.0>
8.44333

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.14012

>  <SCORE.INTRA.VDW.0>
0.570659

>  <SCORE.INTRA.norm>
-0.17343

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.365701

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  192.4141  214.5624  261.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6968  214.6825  262.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.0939  213.6150  263.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4948  213.2429  264.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9584  212.1452  264.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0414  211.4091  264.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6619  211.7735  263.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1890  212.8532  262.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8483  213.2480  261.3539 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8362  212.5898  260.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0126  210.9254  260.5125 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.8587  213.3426  260.1688 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9119  214.6431  259.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2132  215.1015  259.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4155  216.2420  258.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3230  216.8510  257.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0286  216.3519  258.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7854  215.3278  259.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5152  214.9541  259.4278 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.5009  215.4420  258.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6857  216.2746  257.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9587  216.7841  257.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4541  214.0571  260.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6734  212.7744  259.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-67.37545663,-173.82169114,174.16822410,195.95611018,213.99478973,260.69696593
2.05456416,-0.44861758,2.39557261

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450987/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.80325

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.381818

>  <SCORE.INTRA>
-5.59675

>  <SCORE.INTRA.DIHEDRAL>
1.63405

>  <SCORE.INTRA.DIHEDRAL.0>
4.47037

>  <SCORE.INTRA.POLAR>
-0.101287

>  <SCORE.INTRA.POLAR.0>
-0.78986

>  <SCORE.INTRA.REPUL>
-0.815269

>  <SCORE.INTRA.REPUL.0>
0.815269

>  <SCORE.INTRA.VDW>
-1.99306

>  <SCORE.INTRA.VDW.0>
0.581751

>  <SCORE.INTRA.norm>
-0.254398

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.12742

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000023

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  207.7850  188.9016  242.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6622  189.6227  243.3876 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.1246  190.7238  243.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9614  191.8395  244.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5205  193.0215  244.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2303  193.1180  245.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3906  192.0017  245.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8351  190.8128  244.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7976  194.6404  246.0026 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.8260  194.1683  247.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1971  193.6581  248.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1077  194.4530  248.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3230  192.2701  248.1792 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2875  191.5785  247.4828 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.0023  190.3711  247.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9224  189.6271  246.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2030  190.0138  245.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8090  188.9456  245.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8842  187.9291  245.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7021  188.3548  245.7553 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.4851  187.6042  245.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4425  186.3624  245.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2419  185.6491  244.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0806  186.1769  245.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1118  187.4080  246.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3106  188.1227  246.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5990  185.3127  245.4286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.0345  191.8006  249.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-138.85190460,-105.70879528,59.62027845,78.81075616,124.65774721,-151.92277270
6.44908046,175.90529288,207.95950830,190.08854613,245.71727207,-1.73314253
0.04735161,0.21903956

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450988/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.61092

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-9.78908

>  <SCORE.INTRA.DIHEDRAL>
-4.57551

>  <SCORE.INTRA.DIHEDRAL.0>
10.4712

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.50132

>  <SCORE.INTRA.VDW.0>
1.97469

>  <SCORE.INTRA.norm>
-0.362558

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.133738

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000177

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  206.6574  211.6071  249.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5689  210.7882  249.1122 N   0  3  1  0  0  0  0  0  0  0  0  0
  206.0327  210.0877  248.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7491  209.9943  250.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0684  208.7957  249.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6700  208.7572  249.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9770  207.6574  248.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6833  206.5617  248.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0783  206.5815  248.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7642  207.6917  249.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4917  207.6443  249.0134 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.9719  209.7915  249.9666 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.7067  211.6043  248.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5600  210.8476  247.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3810  211.1567  247.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9350  209.7922  246.6408 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9807  208.8716  246.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8193  208.0414  245.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1607  208.2318  245.5695 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2397  209.3532  246.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2713  209.8779  246.7515 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.9960  207.8425  245.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  6  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
-156.58579487,-179.80829343,-115.35042977,117.16731091,204.35359590,209.13268898
248.14871587,0.78836294,0.33716580,0.79103477

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450989/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.17565

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-5.22435

>  <SCORE.INTRA.DIHEDRAL>
0.772738

>  <SCORE.INTRA.DIHEDRAL.0>
2.22531

>  <SCORE.INTRA.POLAR>
-0.136692

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.14597

>  <SCORE.INTRA.VDW.0>
-0.867064

>  <SCORE.INTRA.norm>
-0.261218

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.208782

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000444

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  206.1500  192.5247  250.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1277  193.5262  249.8158 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.9947  193.2583  248.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2608  194.3298  247.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1284  194.1745  246.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7583  192.9459  246.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5187  191.8841  247.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6424  192.0391  248.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6351  192.8042  245.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7216  191.7322  244.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8702  190.5106  244.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9255  190.3157  245.4675 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.4539  189.6756  243.8059 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4922  190.3570  243.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6773  191.5713  243.6573 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.3634  189.6617  241.9042 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.1259  189.6259  240.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8394  189.0291  240.9148 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.6579  187.6849  240.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5235  186.9524  240.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.3204  187.1599  240.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0121  185.8004  240.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7159  185.3608  241.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7395  186.2801  241.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0645  187.6346  241.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3666  188.0853  241.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6487  189.4463  241.4329 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8115  189.8640  241.2580 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0571  188.3303  243.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7477  187.9712  244.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3743  186.6318  244.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3072  185.6340  243.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6091  185.9814  243.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9844  187.3254  243.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0745  186.4135  244.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.8961  185.4660  245.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <CHROM.1>
137.18319561,-140.45784810,27.82779601,66.62314350,-50.69213666,-94.00328457
-131.87815556,209.11352550,189.39376598,243.94039557,1.61870862,0.65619635
0.80425963

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450990/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.76873

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.344444

>  <SCORE.INTRA>
-9.63127

>  <SCORE.INTRA.DIHEDRAL>
-8.62883

>  <SCORE.INTRA.DIHEDRAL.0>
26.9286

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.31685

>  <SCORE.INTRA.VDW.0>
0.742389

>  <SCORE.INTRA.norm>
-0.267535

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.0769092

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  186.1796  222.2545  265.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5776  221.7309  264.6766 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.6358  222.7171  265.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0214  222.5070  264.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0576  222.3624  263.0601 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.0644  221.2638  262.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6500  221.4304  263.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0143  223.6895  262.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7665  224.5628  262.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2234  224.6029  262.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9691  223.3797  260.7825 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9255  222.6216  260.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9028  222.1243  260.7333 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6424  222.4680  258.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-59.91385433,-56.82492680,-0.21289471,189.48362501,222.70810379,262.53627177
2.47309168,0.69679758,1.04917341

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450991/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.19518

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-0.204825

>  <SCORE.INTRA.DIHEDRAL>
0.0282456

>  <SCORE.INTRA.DIHEDRAL.0>
0.417742

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.218947

>  <SCORE.INTRA.VDW.0>
0.391077

>  <SCORE.INTRA.norm>
-0.0146303

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.58537

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009826

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  213.5874  184.5964  239.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3190  185.7575  240.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8127  185.4808  240.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9433  184.2043  241.1647 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4422  183.0541  240.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9343  183.2363  240.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9364  184.0206  242.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6327  183.5663  243.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6169  183.5182  244.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9293  183.9209  244.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2530  184.2926  242.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2768  184.3318  241.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9721  184.0158  245.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5737  183.4870  246.4308 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.1231  183.3744  244.9101 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.3286  185.3069  245.5125 F   0  0  0  0  0  0  0  0  0  0  0  0
  215.2825  183.3961  243.8048 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1924  184.1754  243.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7091  183.4255  243.3698 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.4415  185.5407  243.4811 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5477  186.6064  243.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4026  186.5661  243.8141 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0892  187.7594  242.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3876  188.1884  242.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5300  188.7443  241.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6702  188.9002  240.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5152  189.2555  239.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2623  189.5793  238.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1353  189.5527  239.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2824  189.0731  240.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0277  188.7508  241.7673 S   0  0  0  0  0  0  0  0  0  0  0  0
  216.7349  187.7715  243.4730 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.0956  182.5359  244.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4247  185.7738  243.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 31  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
126.71905210,-39.46296916,9.53894107,-24.61666055,215.90506512,185.76317859
242.48450799,2.35539168,-0.33579310,-0.44739369

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450992/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.68475

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.29375

>  <SCORE.INTRA>
-4.71525

>  <SCORE.INTRA.DIHEDRAL>
1.97061

>  <SCORE.INTRA.DIHEDRAL.0>
8.64019

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.70055

>  <SCORE.INTRA.VDW.0>
-1.98233

>  <SCORE.INTRA.norm>
-0.147351

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.146399

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000022

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  187.7489  209.0811  254.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7490  208.2874  255.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8124  208.6135  256.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0132  207.7679  257.2097 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.0653  206.9100  257.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5795  207.2163  255.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6845  206.4548  255.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1529  205.4720  256.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5545  205.2462  257.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5015  205.9690  257.8799 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0995  204.2112  258.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1136  203.3400  257.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5644  202.2896  258.6890 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.9893  202.0963  259.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0072  202.9184  260.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5731  203.9885  259.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4477  206.5453  254.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6021  205.8461  253.9438 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.6984  206.1204  252.9521 F   0  0  0  0  0  0  0  0  0  0  0  0
  190.7856  207.8350  253.7174 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.1566  207.8642  258.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8040  208.5071  258.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9668  207.6168  257.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0377  206.9284  257.5918 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.3488  207.6518  255.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.1472  208.1905  255.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
23.88929306,169.21546387,-7.01458748,68.40190342,102.35241330,4.50072499
188.48204359,206.25575582,256.60343936,-2.59106131,-0.46364775,2.17694740

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/450/14450993/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.69079

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-4.70921

>  <SCORE.INTRA.DIHEDRAL>
-0.830596

>  <SCORE.INTRA.DIHEDRAL.0>
5.90213

>  <SCORE.INTRA.POLAR>
-0.976124

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.975087

>  <SCORE.INTRA.VDW.0>
0.838405

>  <SCORE.INTRA.norm>
-0.188368

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.227632

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009443

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  197.1972  207.7700  243.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3091  208.7651  243.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4266  209.6411  244.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3946  210.5867  244.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1059  210.7338  243.4524 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4359  211.4162  245.5302 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1814  212.6521  245.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2824  213.1228  246.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0402  212.5107  247.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6074  212.9618  248.6077 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.4864  212.4107  249.1553 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0085  212.8436  250.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0440  212.3393  250.9266 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7013  213.8878  250.8971 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4729  211.3986  246.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9918  211.6357  248.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4936  214.1985  250.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6876  214.0220  251.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <CHROM.1>
179.82467280,1.82836311,178.79373963,-1.72597178,198.48769576,211.51258080
246.77083540,1.32300365,-0.67945271,-2.22859864

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451050/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.93876

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-2.46124

>  <SCORE.INTRA.DIHEDRAL>
-4.17219

>  <SCORE.INTRA.DIHEDRAL.0>
4.68216

>  <SCORE.INTRA.POLAR>
-0.0403538

>  <SCORE.INTRA.POLAR.0>
-0.114065

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.237939

>  <SCORE.INTRA.VDW.0>
0.734421

>  <SCORE.INTRA.norm>
-0.164082

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.462584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
  197.8226  195.0185  247.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7774  196.0574  246.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4771  196.8711  245.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4176  197.6788  246.1221 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0424  197.3907  247.3571 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.8426  196.4077  247.8153 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.6978  195.9986  249.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5021  195.1075  249.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5182  194.1190  250.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3365  195.4790  248.8146 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1373  196.9218  244.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0767  196.1774  244.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.6357  197.9100  243.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4321  195.3437  249.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4104  196.2137  248.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
1.33979856,-109.96216676,138.59397871,-144.08514633,195.92142870,196.21487651
246.99894596,-1.02840126,-0.51374441,2.22206753

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451051/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.08663

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-2.31337

>  <SCORE.INTRA.DIHEDRAL>
-0.251916

>  <SCORE.INTRA.DIHEDRAL.0>
4.09555

>  <SCORE.INTRA.POLAR>
-0.680038

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.124719

>  <SCORE.INTRA.VDW.0>
-0.779304

>  <SCORE.INTRA.norm>
-0.177951

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.545126

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000374

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 50  0  0  0  0  0  0  0  0999 V2000
  192.0945  206.4963  255.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6755  206.2216  255.2562 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9237  205.8409  254.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0450  206.3708  256.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4911  207.2832  257.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9760  207.3935  258.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8828  206.6679  259.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3166  205.7951  258.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9149  205.6480  256.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2683  204.6406  256.1331 N   0  3  0  0  0  0  0  0  0  0  0  0
  188.8185  203.5338  256.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1883  204.9494  255.6108 O   0  5  0  0  0  0  0  0  0  0  0  0
  188.3061  206.9772  260.4698 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.0880  206.4801  260.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4319  205.5773  260.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5472  207.4129  261.9234 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.4883  208.2744  261.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2179  209.4540  262.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2941  210.2675  262.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4676  209.7055  262.9147 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.7853  208.2196  262.4386 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.7889  207.9571  261.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9098  208.4507  261.3354 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5467  210.8062  263.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6848  211.8825  262.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8466  211.9762  261.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5473  211.2260  260.9749 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.3633  212.2005  260.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9982  212.9981  261.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8671  213.8139  261.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0808  213.8515  260.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4357  213.0842  259.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5764  212.2881  259.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9138  211.6135  258.5925 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.1548  212.8493  259.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5838  212.7051  258.8315 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2023  213.8596  260.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8946  213.9574  261.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6672  212.9909  262.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1957  213.1319  263.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1553  215.3201  261.4423 Br  0  0  0  0  0  0  0  0  0  0  0  0
  191.3981  208.3780  257.1580 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.9641  209.2786  256.4315 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4984  208.3710  257.7285 O   0  5  0  0  0  0  0  0  0  0  0  0
  185.8890  211.6875  258.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  6  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 27 28  1  1  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 45  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  2  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  CHG  4  10   1  12  -1  42   1  44  -1
M  END
>  <CHROM.1>
26.73984493,168.75165083,56.76532706,-39.94100680,188.43381572,209.97279934
259.76880727,-1.44507155,0.36893305,0.49343362

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451052/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.27437

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.190909

>  <SCORE.INTRA>
-1.12563

>  <SCORE.INTRA.DIHEDRAL>
-3.10276

>  <SCORE.INTRA.DIHEDRAL.0>
9.13155

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
-1

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.425751

>  <SCORE.INTRA.VDW.0>
-1.82382

>  <SCORE.INTRA.norm>
-0.0255825

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
44

>  <SCORE.norm>
0.165327

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002180

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 19  0  0  0  0  0  0  0  0999 V2000
  211.0831  201.8192  258.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1650  202.7302  258.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3071  203.6816  256.8412 P   0  0  0  0  0  0  0  0  0  0  0  0
  211.3797  204.7472  257.4527 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1185  204.1869  257.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0595  203.0857  257.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.4195  202.7676  255.4977 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.2853  204.0064  254.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6300  201.9781  255.4567 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0581  201.7263  255.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4710  201.9045  253.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3909  201.1032  253.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9190  200.1337  254.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5141  199.9388  255.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5949  200.7356  255.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8739  199.3748  253.9175 F   0  0  0  0  0  0  0  0  0  0  0  0
  212.4493  204.6329  255.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3914  204.5062  254.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0049  202.2735  257.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
88.97416535,78.14139018,122.67431880,70.80245676,28.60655158,139.16180904
213.18557673,202.52327694,255.78664276,1.96418003,-0.22957168,-2.46922872

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451053/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.69782

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.633333

>  <SCORE.INTRA>
-3.70218

>  <SCORE.INTRA.DIHEDRAL>
-2.11536

>  <SCORE.INTRA.DIHEDRAL.0>
8.96427

>  <SCORE.INTRA.POLAR>
0.00375182

>  <SCORE.INTRA.POLAR.0>
-0.00375182

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.65725

>  <SCORE.INTRA.VDW.0>
-1.99047

>  <SCORE.INTRA.norm>
-0.205677

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.427657

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000683

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  8  7  0  0  0  0  0  0  0  0999 V2000
  199.5999  221.6591  258.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6971  220.1503  258.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0331  219.6190  257.1002 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1577  218.2644  257.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9808  217.5245  258.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4807  217.8292  255.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1722  217.6040  254.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0867  217.4171  254.3031 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <CHROM.1>
179.93079885,1.33860071,-88.62798202,199.66278140,218.80740080,256.78218314
1.24899129,-1.04527705,0.51272760

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451055/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.55833

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-2.84167

>  <SCORE.INTRA.DIHEDRAL>
-4.41773

>  <SCORE.INTRA.DIHEDRAL.0>
5.70746

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.6328

>  <SCORE.INTRA.VDW.0>
1.12963

>  <SCORE.INTRA.norm>
-0.355208

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.694792

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017514

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  191.2199  216.9486  247.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5029  216.9037  248.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2760  216.4086  250.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7612  216.3331  251.0618 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.6523  215.7706  247.8271 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.2693  218.5296  248.6303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <CHROM.1>
179.54380684,193.11373610,216.84246366,249.07525861,-2.76289955,-1.25586713
0.66329786

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451056/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.02091

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-0.379094

>  <SCORE.INTRA.DIHEDRAL>
-0.00637071

>  <SCORE.INTRA.DIHEDRAL.0>
0.0151484

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.375908

>  <SCORE.INTRA.VDW.0>
-0.279128

>  <SCORE.INTRA.norm>
-0.0631823

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.00348

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.065736

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  206.9510  219.5265  250.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0931  218.3151  250.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5827  217.2253  249.8048 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6100  218.4476  250.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7994  217.3020  250.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3780  217.3708  249.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7823  218.6451  250.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6093  219.7788  250.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0023  219.6921  250.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4650  219.0302  250.1351 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4890  218.2012  250.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6992  218.1462  252.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5607  219.5271  252.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9656  219.5952  254.6804 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.6917  219.0142  254.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5376  219.9743  253.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9622  219.4654  253.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9210  220.1415  254.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0138  218.1929  253.1718 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1739  217.4955  252.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3546  218.0048  253.3634 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.1568  216.9768  253.0401 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5628  215.9276  252.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.2770  216.2501  252.4371 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.6557  216.0541  249.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0026  215.8316  248.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7088  215.6223  248.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3712  216.0489  249.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1909  217.7352  252.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1549  216.9844  253.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9414  215.9210  250.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
-173.54237245,57.48790280,-108.40867771,35.91479894,67.50726056,61.45954900
-173.94953566,59.16605661,61.64036474,-177.32416893,-123.76401714,2.69665723
-118.88745493,203.17283608,218.12275886,251.65392737,0.11917668,0.11059791
-2.06166681

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451090/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.61302

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.621429

>  <SCORE.INTRA>
-8.78698

>  <SCORE.INTRA.DIHEDRAL>
1.99068

>  <SCORE.INTRA.DIHEDRAL.0>
5.73395

>  <SCORE.INTRA.POLAR>
-1.09684

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.05308

>  <SCORE.INTRA.VDW.0>
0.184251

>  <SCORE.INTRA.norm>
-0.313821

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.307608

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  206.0287  208.9956  255.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2570  209.7176  254.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2134  210.1874  253.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1457  208.8469  254.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4327  207.6292  253.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4126  206.8483  252.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0858  207.2693  252.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7760  208.4713  253.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8040  209.2505  254.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0038  206.4611  252.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2671  205.3457  251.7896 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1186  204.7389  251.2662 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3971  203.6137  250.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6790  203.1673  250.5410 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.3812  202.9161  250.0759 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4762  201.7269  249.4754 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.5630  201.1481  249.4098 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3938  201.3039  249.0643 O   0  5  0  0  0  0  0  0  0  0  0  0
  202.3132  203.8200  250.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.8475  202.1902  250.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.4778  203.3474  250.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <CHROM.1>
-62.26395188,0.77249229,179.42913446,-0.19454120,0.80199632,202.08540254
205.83507349,252.12534015,-1.02007637,0.09939243,-2.62679389

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451091/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2022

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.577778

>  <SCORE.INTRA>
-0.197784

>  <SCORE.INTRA.DIHEDRAL>
-0.0564757

>  <SCORE.INTRA.DIHEDRAL.0>
1.27582

>  <SCORE.INTRA.POLAR>
-0.0501997

>  <SCORE.INTRA.POLAR.0>
-0.145586

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00113276

>  <SCORE.INTRA.VDW.0>
0.10168

>  <SCORE.INTRA.norm>
-0.010988

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.56679

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000108

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  190.5402  214.2798  255.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6078  213.7842  256.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7122  214.2975  256.2105 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1113  212.7007  256.8303 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9683  212.0926  257.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2979  211.8730  257.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2224  211.4456  258.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7775  211.1395  259.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4402  211.3974  260.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9927  211.2253  261.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7005  211.5869  261.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8189  212.1127  260.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2199  212.2600  259.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5255  211.9139  259.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7234  210.7824  260.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.5672  209.6930  260.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5880  208.9608  259.4424 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.5018  209.5760  261.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5632  211.3527  258.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1648  212.5731  257.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4408  213.4500  258.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1580  213.9246  259.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9039  213.6889  260.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7134  214.1267  261.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7732  214.8114  260.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0306  215.0756  259.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2203  214.6395  258.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <CHROM.1>
-179.43729257,-42.75811496,57.10562550,-57.49222114,-1.23932575,79.88042701
-67.73599667,124.82491581,193.38788787,212.37545556,259.11813890,-2.35851522
-0.19387522,2.14446714

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451092/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.0165

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496296

>  <SCORE.INTRA>
-5.3835

>  <SCORE.INTRA.DIHEDRAL>
-0.264691

>  <SCORE.INTRA.DIHEDRAL.0>
12.0895

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.25115

>  <SCORE.INTRA.VDW.0>
-0.492451

>  <SCORE.INTRA.norm>
-0.199389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.296907

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000533

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  210.7945  203.8201  247.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9058  203.0005  248.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9245  203.2214  249.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8396  204.2461  249.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7286  205.0662  248.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7051  204.8682  247.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6733  205.8027  246.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3319  206.4789  246.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8033  207.3063  247.2214 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8528  206.8730  248.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3615  207.6925  249.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9145  209.0525  249.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6356  209.8102  250.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8189  209.4088  248.2685 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2798  208.6218  247.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0774  209.0931  246.4483 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.2798  207.1936  249.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9982  205.9431  250.0787 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.8715  205.6036  250.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3593  204.5299  251.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3061  205.1181  252.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5315  205.6118  252.3035 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.9842  206.8678  252.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1100  206.9458  251.7184 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3969  205.7336  251.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3965  204.8821  251.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3808  205.5782  248.0676 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.0262  202.4321  250.9749 F   0  0  0  0  0  0  0  0  0  0  0  0
  210.2150  210.3351  248.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.6709  207.7900  251.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.0614  205.2776  248.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 27 31  1  0  0  0  0
M  CHG  1  22   1
M  END
>  <CHROM.1>
50.79992731,59.27181835,-97.02887967,154.63585596,16.39834364,-129.13898121
72.28142499,-64.87465484,124.62857741,209.65239531,206.09890908,249.48321395
-0.77933406,-0.69466613,2.46292040

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451093/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31738

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.478571

>  <SCORE.INTRA>
-7.08262

>  <SCORE.INTRA.DIHEDRAL>
-1.33177

>  <SCORE.INTRA.DIHEDRAL.0>
9.40197

>  <SCORE.INTRA.POLAR>
-0.665378

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.15445

>  <SCORE.INTRA.VDW.0>
-0.662943

>  <SCORE.INTRA.norm>
-0.252951

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.225621

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000199

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  216.4874  194.3892  236.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5392  192.9979  236.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3423  192.1665  236.6221 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.5858  192.6318  235.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6609  191.3454  234.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7945  190.9535  233.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8398  191.8543  233.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7572  193.1373  233.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6269  193.5282  234.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9846  189.6786  233.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.2914  188.6380  233.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7267  188.5974  235.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7738  188.0241  235.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9031  189.1857  236.1758 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.6249  189.8584  235.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6808  191.3081  236.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0629  191.3625  237.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3555  190.7605  238.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3482  189.2901  237.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <CHROM.1>
178.55777944,87.57816210,-60.88658090,-81.49738436,214.71090520,190.99855726
235.50547130,0.22057682,1.22668802,1.45750002

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451094/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.76142

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.494737

>  <SCORE.INTRA>
-1.63858

>  <SCORE.INTRA.DIHEDRAL>
4.78737

>  <SCORE.INTRA.DIHEDRAL.0>
1.38607

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.03227

>  <SCORE.INTRA.VDW.0>
1.4837

>  <SCORE.INTRA.norm>
-0.0862412

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.408496

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001350

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 34  0  0  0  0  0  0  0  0999 V2000
  221.3952  179.3194  243.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1832  180.3494  244.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0146  181.1221  244.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7572  182.1358  245.1998 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7887  183.2779  245.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4370  184.6185  245.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1585  184.6936  247.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6600  185.8905  247.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4126  186.9990  246.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8040  186.9715  245.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3144  185.7952  245.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7777  188.1341  247.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4667  188.2924  246.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6768  187.0423  246.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3557  186.1508  245.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6788  185.1103  246.4537 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.6283  185.4303  247.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2151  186.5696  248.0905 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9660  184.4846  248.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9078  184.7620  250.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2801  183.8804  250.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7140  182.7112  250.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7625  182.4167  249.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3867  183.3017  248.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1079  181.8483  251.2599 F   0  0  0  0  0  0  0  0  0  0  0  0
  214.2161  184.1724  252.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5962  186.0814  244.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3465  183.5567  248.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3335  182.6845  245.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7509  182.8299  243.9740 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7837  183.0268  246.2337 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9202  183.4690  246.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-179.48578166,69.10895767,159.45699417,-34.82680822,63.33994437,-109.46653826
46.46285043,-105.01722607,179.05671283,173.32830659,217.53391742,184.23609721
247.05534459,0.18458725,-0.71272870,-3.07450808

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451095/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.44054

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.464516

>  <SCORE.INTRA>
-6.95946

>  <SCORE.INTRA.DIHEDRAL>
0.679653

>  <SCORE.INTRA.DIHEDRAL.0>
9.29982

>  <SCORE.INTRA.POLAR>
-0.472177

>  <SCORE.INTRA.POLAR.0>
-0.460958

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.69388

>  <SCORE.INTRA.VDW.0>
0.949353

>  <SCORE.INTRA.norm>
-0.224499

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.240017

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000103

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  188.1876  208.5027  263.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8751  207.8771  262.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5961  208.3333  260.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2453  207.7758  259.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1859  206.7523  259.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4584  206.2891  261.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8081  206.8490  262.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9446  206.2349  258.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3790  206.0740  257.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2296  205.5611  256.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7429  205.3932  255.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5607  205.2851  256.7008 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.0125  205.4689  257.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2661  205.9147  258.9445 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6841  205.1030  258.2504 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.3674  206.7987  258.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7376  207.6211  259.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2043  207.6426  260.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5326  208.4666  259.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9115  209.1028  260.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7586  209.8724  260.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2181  210.0146  258.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8328  209.4086  257.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9921  208.6400  257.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7848  210.9382  258.5318 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  188.9211  206.4137  257.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7116  206.6956  257.0742 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7020  206.0741  259.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  3  0  0  0  0
M  END
>  <CHROM.1>
-38.45710931,103.38896785,62.69337112,88.87287049,173.91675676,191.46407298
207.45030428,258.97786279,-2.48816552,0.09834373,-2.26221833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451096/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.8742

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-5.5258

>  <SCORE.INTRA.DIHEDRAL>
-2.77491

>  <SCORE.INTRA.DIHEDRAL.0>
8.0673

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.13835

>  <SCORE.INTRA.VDW.0>
-1.76204

>  <SCORE.INTRA.norm>
-0.204659

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.180526

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000008

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 22  0  0  0  0  0  0  0  0999 V2000
  212.7175  190.9000  244.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9965  192.0516  245.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6205  192.0983  244.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9370  190.9879  244.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6819  189.8209  244.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0640  189.7805  244.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9907  188.6112  243.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5904  187.7007  243.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.6641  188.5595  243.8776 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5310  191.0128  244.2423 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6592  192.0325  244.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9382  193.0771  245.1512 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2259  191.7938  244.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7947  190.6648  243.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4327  190.5169  243.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4995  191.4656  243.6716 N   0  3  0  0  0  0  0  0  0  0  0  0
  203.9471  192.5888  244.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2982  192.7706  244.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2696  191.3071  243.4191 O   0  5  0  0  0  0  0  0  0  0  0  0
  208.2039  187.7619  243.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.1194  190.1135  243.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  2  16   1  19  -1
M  END
>  <CHROM.1>
-5.41381072,163.11514960,-178.39637235,-5.18973293,207.98251792,190.89035017
244.18554254,-0.16398366,-0.14533454,0.37746923

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451097/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.54167

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442105

>  <SCORE.INTRA>
-4.85833

>  <SCORE.INTRA.DIHEDRAL>
-6.32286

>  <SCORE.INTRA.DIHEDRAL.0>
8.09656

>  <SCORE.INTRA.POLAR>
-0.708082

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.710576

>  <SCORE.INTRA.VDW.0>
-0.217295

>  <SCORE.INTRA.norm>
-0.255702

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.186404

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000831

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 29  0  0  0  0  0  0  0  0999 V2000
  211.5389  189.0153  250.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0722  188.2158  249.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9359  187.9699  248.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3649  186.7719  248.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9313  185.6246  248.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3883  184.3157  248.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1322  183.2446  249.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4311  183.4903  249.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9236  184.7426  249.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1456  185.8187  249.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6936  187.0318  249.8460 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2382  182.3812  249.7114 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2731  181.3386  249.7460 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.9747  181.7691  249.0600 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.9591  180.8331  249.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3462  179.4097  249.7015 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.5838  179.0897  249.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5938  180.0554  249.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7215  179.8243  248.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9090  178.5663  247.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9877  177.5526  247.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8215  177.8027  248.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1910  176.2880  247.5161 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2271  188.9837  248.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0336  176.2722  247.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <CHROM.1>
1.18614227,211.99387321,182.91107475,249.06284535,1.63688325,0.19555696,0.07278351

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451098/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39864

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.225

>  <SCORE.INTRA>
-0.00135536

>  <SCORE.INTRA.DIHEDRAL>
-0.0062081

>  <SCORE.INTRA.DIHEDRAL.0>
0.00731433

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00174869

>  <SCORE.INTRA.VDW.0>
0.365103

>  <SCORE.INTRA.norm>
-5.64732e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.224944

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000862

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  211.1244  193.3985  244.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7170  192.3536  243.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2869  190.9085  243.5361 C   0  0  1  0  0  0  0  0  0  0  0  0
  209.7690  190.7679  243.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2759  191.3034  242.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.9876  190.0455  244.1198 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.5186  190.0841  244.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8466  188.6916  244.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4637  187.8513  245.1660 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.9302  187.8019  245.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4801  189.2326  245.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7648  187.2394  246.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3913  186.4729  247.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6542  185.8195  248.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2681  185.9395  248.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6198  186.6951  247.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3645  187.3372  246.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6488  185.2529  249.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7127  186.0078  249.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1536  190.0385  242.8076 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.9508  188.6929  242.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1003  188.0330  242.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7390  186.6996  242.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2298  186.0157  243.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1003  186.6610  244.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4643  187.9935  244.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.7135  185.8143  245.6482 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.4966  188.8265  240.6683 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <CHROM.1>
68.31948716,40.05095805,178.81793482,-178.59773989,131.09709723,92.72109446
209.23568508,188.23326689,244.66099567,0.71443456,0.44330434,-0.53975167

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451099/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.31857

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.08143

>  <SCORE.INTRA.DIHEDRAL>
-3.72079

>  <SCORE.INTRA.DIHEDRAL.0>
13.6657

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.22103

>  <SCORE.INTRA.VDW.0>
1.30264

>  <SCORE.INTRA.norm>
-0.18148

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.225663

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000207

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  209.3534  216.9848  247.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2626  216.6962  249.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2956  217.0759  250.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3551  215.9984  249.8265 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.5558  215.5664  251.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6612  215.7396  252.0667 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.0736  215.2032  253.2750 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2809  214.6842  253.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9926  214.8135  251.6399 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.1041  213.9522  254.5487 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.7405  213.8187  255.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6277  212.9369  255.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8743  211.5908  254.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8288  210.8356  254.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5672  211.3589  254.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2796  212.6645  254.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3211  213.4597  255.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6879  210.4510  253.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.5516  209.3100  253.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8993  209.5302  254.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1531  215.8627  249.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <CHROM.1>
2.78470896,12.26005139,61.23648706,59.99093556,209.70500333,213.72274915
252.88370241,1.29320934,-0.55414816,-0.84006493

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451100/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.85073

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-1.54927

>  <SCORE.INTRA.DIHEDRAL>
-1.82231

>  <SCORE.INTRA.DIHEDRAL.0>
2.93608

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.638115

>  <SCORE.INTRA.VDW.0>
-1.13835

>  <SCORE.INTRA.norm>
-0.0774634

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.392537

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000082

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  202.9125  207.0769  254.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0582  207.2502  253.3191 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6425  206.9776  251.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6441  208.6079  253.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5402  208.8291  254.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6188  207.8861  254.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.4387  207.9509  255.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2915  208.7227  256.6396 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.4900  206.8645  255.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9248  205.6238  255.9985 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.9435  205.1311  255.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9816  205.0546  253.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8962  204.5192  253.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7822  204.0671  253.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7306  204.1429  255.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8127  204.6761  255.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7424  203.5588  253.1175 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
77.89776455,59.43146318,-176.91872618,0.19016243,-78.02213670,64.80218328
46.81374984,205.69044405,206.31051300,254.46091263,2.56457814,0.60516575
-3.09472684

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451101/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.95697

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.729412

>  <SCORE.INTRA>
-9.44303

>  <SCORE.INTRA.DIHEDRAL>
-13.7555

>  <SCORE.INTRA.DIHEDRAL.0>
18.332

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.5653

>  <SCORE.INTRA.VDW.0>
0.948519

>  <SCORE.INTRA.norm>
-0.555472

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.173939

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001642

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  201.2509  205.8385  256.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0887  207.0236  255.6209 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.0077  206.6340  254.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2258  206.5083  254.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3670  206.4078  253.2462 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0895  206.0035  252.0425 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.3780  204.8521  251.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2007  207.2153  251.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2649  207.6142  250.6460 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0260  207.8231  250.8398 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.1933  208.1248  255.2096 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3758  206.6142  253.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.0886  208.5977  250.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.7827  208.8896  254.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.7751  208.5166  256.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <CHROM.1>
-107.83834343,-177.56805894,134.27177718,127.07260853,-179.98154684,202.62680806
206.76907325,253.16956344,-2.19963591,1.10639787,-0.96001064

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451103/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.07181

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.854545

>  <SCORE.INTRA>
-1.32819

>  <SCORE.INTRA.DIHEDRAL>
-0.771937

>  <SCORE.INTRA.DIHEDRAL.0>
3.80238

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.942219

>  <SCORE.INTRA.VDW.0>
-0.466818

>  <SCORE.INTRA.norm>
-0.120744

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.733801

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.072251

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
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 86 87  1  0  0  0  0
 87 88  1  0  0  0  0
 89153  1  0  0  0  0
 90 91  1  0  0  0  0
 90154  1  0  0  0  0
 91 92  2  0  0  0  0
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 94 95  1  0  0  0  0
 94106  1  0  0  0  0
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 96 97  1  0  0  0  0
 97 98  1  0  0  0  0
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 99100  1  0  0  0  0
100101  1  0  0  0  0
101102  1  0  0  0  0
102103  1  0  0  0  0
103104  1  0  0  0  0
104105  1  0  0  0  0
106107  1  0  0  0  0
107108  2  0  0  0  0
107109  1  0  0  0  0
109110  1  0  0  0  0
110111  1  0  0  0  0
111112  1  0  0  0  0
112113  1  0  0  0  0
113114  1  0  0  0  0
114115  1  0  0  0  0
115116  1  0  0  0  0
116117  1  0  0  0  0
117118  1  0  0  0  0
118119  1  0  0  0  0
120155  1  0  0  0  0
121122  1  0  0  0  0
122123  2  0  0  0  0
122124  1  0  0  0  0
125124  1  6  0  0  0
125126  1  0  0  0  0
125137  1  0  0  0  0
126127  1  0  0  0  0
127128  1  0  0  0  0
128129  1  0  0  0  0
129130  1  0  0  0  0
130131  1  0  0  0  0
131132  1  0  0  0  0
132133  1  0  0  0  0
133134  1  0  0  0  0
134135  1  0  0  0  0
135136  1  0  0  0  0
137156  1  0  0  0  0
138157  1  0  0  0  0
M  END
>  <CHROM.1>
-86.00779830,84.12727785,70.00200672,63.02056367,63.40378709,178.75172512
61.18963508,177.00129075,64.20313306,60.72110379,68.29485277,-50.17570114
-77.19783626,-117.29758012,173.30462548,-152.37091107,-57.86781853,-166.21478610
-54.28126666,100.50071921,66.96823738,-53.80914911,175.76123323,173.70015977
-134.72118334,83.41410446,173.50859576,166.24825677,172.16317823,-172.13912201
-148.86399323,158.01826277,60.88425217,179.90836663,53.46284453,-60.24370897
-173.81633834,47.52445467,30.66929995,175.81611121,-65.05437985,169.13047544
-67.00493285,179.63838833,179.22295139,0.00508349,-2.48047211,175.59437321
-30.42969795,122.42503617,0.77423255,82.89655873,164.53589727,-172.12884358
47.31676682,-170.93736343,-178.13218860,-169.76883707,-166.10205587,-173.76383105
-63.14405319,169.94217633,-172.34757822,-63.11786409,38.10339162,170.32889840
-68.87946844,168.64539721,61.51755449,164.59718082,-175.46431554,163.90287475
62.69814326,-179.44978064,-179.41051544,-179.19217010,-61.93157991,-7.71075068
-164.42668692,-80.47629993,-178.99929326,173.75225393,-177.35290624,178.02867747
77.51591510,-80.69383138,179.28159434,-177.22066122,-0.73769450,-172.43903441
176.70775508,-179.63892003,-69.10208616,56.95831460,179.74674132,74.98242135
-179.56676487,67.44461664,-175.00555945,-175.08553905,-178.54654911,-73.04502802
222.09621683,175.77684334,253.15147200,2.91087997,0.45692328,1.85904292

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
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>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
55.2204

>  <SCORE.INTER>
90.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
85

>  <SCORE.INTER.VDW>
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>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
-3.31581

>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
-0.133787

>  <SCORE.INTRA.REPUL.0>
0.162072

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
138

>  <SCORE.norm>
0.400147

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.748329

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  199.6747  218.3901  247.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2531  218.2747  246.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4777  218.5209  245.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1268  218.8592  245.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5639  219.0003  246.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3476  218.8143  247.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7151  219.0251  248.8591 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4310  219.4631  249.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9164  219.0933  251.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5742  219.4638  252.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7546  220.2071  252.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
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  199.5680  220.2760  249.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6282  220.6301  253.7751 S   0  0  0  0  0  0  0  0  0  0  0  0
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  201.6374  218.1584  243.6738 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3833  217.8524  242.5817 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2409  220.2158  243.1260 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0566  220.9207  244.0649 N   0  0  0  0  0  0  0  0  0  0  0  0
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  201.4270  218.2831  252.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.2793  220.5791  243.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.9499  220.4129  244.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.6365  220.8180  244.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
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 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <CHROM.1>
4.40526166,31.77378568,-152.47803613,173.05528470,63.78411845,50.38337697
63.61122014,48.89809882,199.84976064,219.43539407,248.71592923,1.61863512
-0.21857697,-1.70028363

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451105/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
12.3762

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
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>  <SCORE.INTRA.DIHEDRAL>
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>  <SCORE.INTRA.DIHEDRAL.0>
5.37618

>  <SCORE.INTRA.POLAR>
-0.0227632

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
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>  <SCORE.INTRA.VDW.0>
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>  <SCORE.INTRA.norm>
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>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.538095

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004894

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  200.7422  211.4225  250.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8432  210.4249  251.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6733  209.3472  252.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7891  208.3027  253.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9199  207.4590  252.0797 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.7028  206.3820  251.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6007  206.9158  250.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7050  206.8194  252.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6977  207.8762  253.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9532  208.6530  252.1372 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.9276  209.6492  252.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7389  209.0234  253.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8536  210.0594  254.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8651  208.2152  252.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9055  209.4211  251.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4349  210.2074  250.0308 S   0  0  0  0  0  0  0  0  0  0  0  0
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  195.5488  209.2495  249.3810 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
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M  CHG  1  19  -1
M  END
>  <CHROM.1>
-178.08681533,64.59926153,75.17980308,-73.24466395,68.26910887,66.08580898
177.80385248,-65.52666630,172.29282409,173.73937033,79.03040564,197.16450064
209.12751146,251.60263656,0.04116850,0.22392063,-0.71889153

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451122/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.3931

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.863158

>  <SCORE.INTRA>
-2.00692

>  <SCORE.INTRA.DIHEDRAL>
2.3092

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.16152

>  <SCORE.INTRA.VDW.0>
0.654825

>  <SCORE.INTRA.norm>
-0.105628

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.75753

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002083

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  186.2548  210.3567  260.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2778  211.8291  259.8947 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.9464  212.2452  259.2835 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.6865  211.3795  258.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5948  211.8171  256.9191 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.3792  210.8066  255.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6111  211.4903  254.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6078  212.4954  254.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0567  213.4379  255.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2557  213.2248  256.5530 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.5186  214.8682  255.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3700  215.3706  256.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.9177  216.5072  256.4595 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.9445  214.4449  257.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0988  214.8929  258.8274 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.0370  213.6473  259.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3792  213.4481  260.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0489  214.3485  260.8633 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.8414  212.1806  260.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.0952  215.9793  259.2757 C   0  0  1  0  0  0  0  0  0  0  0  0
  179.6372  215.5535  259.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3409  216.3061  260.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3187  212.5278  254.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6846  210.2727  255.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5409  209.5304  256.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9820  211.7038  257.4536 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.2718  212.2773  258.7743 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.7865  212.2337  259.1676 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.3819  210.8217  258.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7144  213.2472  258.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2031  214.6889  258.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9483  214.9254  257.6235 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.1766  216.1392  258.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0581  216.0005  258.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3790  217.1194  259.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7713  218.3969  258.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8608  218.5497  258.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5593  217.4309  257.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2964  217.0077  260.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4007  215.0827  256.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.3418  215.0432  255.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2407  216.6780  260.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.2947  216.1304  260.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3 19  1  0  0  0  0
  3  4  1  6  0  0  0
  5  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 42  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 32 40  1  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 39  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 39 43  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <CHROM.1>
58.20258022,62.61190276,84.38468249,48.32128383,-67.71781335,156.78125319
-97.45550106,168.24459189,15.85881202,185.07748514,213.87979939,257.93380139
0.66768106,0.06739782,-2.71112635

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451123/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.83487

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.302439

>  <SCORE.INTRA>
-8.56513

>  <SCORE.INTRA.DIHEDRAL>
3.634

>  <SCORE.INTRA.DIHEDRAL.0>
3.36915

>  <SCORE.INTRA.POLAR>
-1.99893

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.58576

>  <SCORE.INTRA.VDW.0>
-1.11042

>  <SCORE.INTRA.norm>
-0.208906

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
41

>  <SCORE.norm>
0.0935333

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009586

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  204.1377  203.6238  247.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8294  202.8703  247.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7588  203.3584  246.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5347  204.8210  246.8257 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.7940  205.5307  246.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8924  205.1269  247.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4692  205.1747  245.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8182  206.5697  246.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2222  206.7524  247.4273 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.2579  206.7442  248.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0831  207.8787  248.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1762  207.8752  249.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4981  206.7224  250.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6860  205.5851  250.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0582  204.4078  250.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2548  203.2689  250.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0391  203.3185  250.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6612  204.4819  249.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5057  205.6105  249.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2607  207.9523  247.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0867  207.8920  247.8413 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8440  209.1336  247.2046 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2415  209.8968  247.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
165.66187818,-57.22932069,64.44137833,72.92997220,121.21851350,-179.52395559
200.96645536,205.70062369,248.23690260,-0.29047723,0.77473668,-1.40550886

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451124/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.19224

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-5.20776

>  <SCORE.INTRA.DIHEDRAL>
-0.210287

>  <SCORE.INTRA.DIHEDRAL.0>
2.44229

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.10261

>  <SCORE.INTRA.VDW.0>
-0.797044

>  <SCORE.INTRA.norm>
-0.236716

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.236011

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018547

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  218.5867  171.6200  243.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2493  172.6144  243.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5533  173.0948  241.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1175  174.0321  241.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4118  174.5073  241.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1302  174.0381  242.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5452  173.0935  243.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9007  175.5935  240.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1557  175.9360  239.5480 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.1740  176.0894  240.6953 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.7941  177.1113  239.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1379  177.4197  240.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.8031  178.3825  239.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1283  179.0647  238.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7865  178.7886  238.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1265  177.8238  238.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4660  178.7355  239.6825 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  224.7940  176.7537  241.1363 F   0  0  0  0  0  0  0  0  0  0  0  0
  217.3084  172.6627  241.7013 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.7775  175.5972  241.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-3.54708202,-172.86944040,221.92420274,175.83477513,240.75251341,-2.40692168
-0.33193717,-0.84095462

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451125/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.64257

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.389474

>  <SCORE.INTRA>
-1.75743

>  <SCORE.INTRA.DIHEDRAL>
-4.91757

>  <SCORE.INTRA.DIHEDRAL.0>
5.08351

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.701354

>  <SCORE.INTRA.VDW.0>
-0.19237

>  <SCORE.INTRA.norm>
-0.0924964

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.296977

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000016

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 11  0  0  0  0  0  0  0  0999 V2000
  197.3975  209.2382  249.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5454  208.6622  249.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8288  208.8352  249.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0010  208.1774  250.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5847  206.9491  250.9420 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.4284  207.3949  251.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2550  207.8583  251.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0956  207.6467  251.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2452  205.6736  250.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9091  205.6336  248.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2955  204.3673  250.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
-20.18514160,199.29098374,207.29873103,250.32125270,-2.30154150,-0.49129683
2.60766520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451126/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.04621

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.581818

>  <SCORE.INTRA>
-0.353788

>  <SCORE.INTRA.DIHEDRAL>
0.573764

>  <SCORE.INTRA.DIHEDRAL.0>
0.01287

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.64067

>  <SCORE.INTRA.VDW.0>
0.930291

>  <SCORE.INTRA.norm>
-0.0321625

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.549656

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009383

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  201.5824  207.5740  252.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0628  208.5289  251.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3687  209.0289  251.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8472  209.9078  250.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0123  210.2775  249.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7081  209.7854  248.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2349  208.9196  249.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8466  210.1262  247.8703 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.1796  210.9158  246.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2878  211.3910  246.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0511  211.1043  245.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9651  211.9512  246.2559 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8426  213.2382  245.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8228  214.0347  246.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7904  213.5608  247.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9300  212.2790  247.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0770  211.4178  247.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2253  210.2991  247.6794 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0042  211.8041  248.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9417  212.6146  248.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7818  213.8842  248.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6874  214.3599  247.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5798  215.5756  246.7677 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1327  216.6853  247.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2394  210.4676  250.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9227  209.6959  247.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
3.24257774,70.58946984,106.02529957,-141.51438752,199.37617525,211.60666311
248.16137764,0.60229674,-0.31826643,2.20593742

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451127/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.4608

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-1.9392

>  <SCORE.INTRA.DIHEDRAL>
1.46853

>  <SCORE.INTRA.DIHEDRAL.0>
4.15513

>  <SCORE.INTRA.POLAR>
-0.5292

>  <SCORE.INTRA.POLAR.0>
-0.0590935

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.87419

>  <SCORE.INTRA.VDW.0>
0.678971

>  <SCORE.INTRA.norm>
-0.0775682

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.298432

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000130

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  218.9859  180.7247  251.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3371  181.6991  251.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0758  182.9557  251.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4389  183.2349  249.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1321  182.2651  249.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3935  181.0115  249.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1086  184.5071  249.4416 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.7686  184.8464  248.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7355  186.2294  248.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0164  186.6480  249.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1515  185.6060  250.2466 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.1482  188.0659  249.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4328  188.4250  251.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5099  189.8397  251.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2787  190.5098  250.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9923  189.4355  248.8797 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.5005  183.9314  247.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5183  184.1758  245.8774 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.1433  182.7244  247.5940 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7090  181.7866  246.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5268  180.3974  247.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7020  179.3790  246.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1470  180.3134  248.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2740  179.2063  249.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8322  179.4643  250.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3816  180.7515  250.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4680  181.6379  249.4889 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.7707  181.4957  252.3436 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-146.66155223,-160.89105960,-179.66060833,173.32197658,171.57080762,-150.05251052
-161.85965723,217.27110421,183.64854640,249.47223807,2.57078278,-1.30799072
-2.14212406

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451128/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.36239

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-5.03761

>  <SCORE.INTRA.DIHEDRAL>
-5.45936

>  <SCORE.INTRA.DIHEDRAL.0>
14.0983

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.30793

>  <SCORE.INTRA.VDW.0>
-1.37001

>  <SCORE.INTRA.norm>
-0.179915

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.262943

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001027

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  179.0697  212.8128  250.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7928  213.3277  251.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8854  214.8600  251.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.0988  212.9296  253.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9127  211.4264  253.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.1921  210.5337  253.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1939  210.9277  254.7230 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.3911  209.9168  254.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8871  212.3818  254.7643 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.5024  212.5639  256.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.0280  212.5745  255.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2899  212.8458  254.5031 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.9412  213.2135  253.8394 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.2873  213.1424  252.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5437  214.0883  251.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8050  214.0786  252.8549 C   0  0  2  0  0  0  0  0  0  0  0  0
  185.3582  213.8841  254.3277 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.5615  213.5319  255.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4377  214.7102  255.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7281  215.4712  254.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9401  215.2787  252.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.0767  214.8889  251.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1648  215.9397  252.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9837  215.5039  253.2050 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.1605  216.0904  254.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3418  215.8809  253.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2233  214.9843  251.8574 Si  0  0  0  0  0  0  0  0  0  0  0  0
  191.6260  215.1796  250.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0816  215.5225  251.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3463  213.1922  252.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9783  212.5001  252.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0196  211.0756  252.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6887  210.3524  252.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5775  211.0360  253.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2327  212.2697  253.0500 F   0  0  0  0  0  0  0  0  0  0  0  0
  187.4337  210.3023  253.5046 F   0  0  0  0  0  0  0  0  0  0  0  0
  188.8989  211.2081  254.8252 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.3534  210.2601  251.4167 F   0  0  0  0  0  0  0  0  0  0  0  0
  189.8146  209.0592  253.1676 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.9713  210.4094  252.1462 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.4529  211.0801  254.1499 F   0  0  0  0  0  0  0  0  0  0  0  0
  186.3672  216.5927  252.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.5253  214.7221  254.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  1  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 40  1  0  0  0  0
 32 41  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <CHROM.1>
60.25137102,58.91500614,64.99886553,-178.16831794,166.97216574,-72.04900722
64.96979063,70.62702455,-176.63568831,-178.13049201,-61.17570584,66.66659085
186.76493880,213.01551834,253.15123670,3.05667968,-0.06527639,2.92934107

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451129/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.12012

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.404651

>  <SCORE.INTRA>
-10.2799

>  <SCORE.INTRA.DIHEDRAL>
-6.72063

>  <SCORE.INTRA.DIHEDRAL.0>
8.8949

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.91957

>  <SCORE.INTRA.VDW.0>
1.04647

>  <SCORE.INTRA.norm>
-0.239067

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.165584

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.070264

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  202.9362  222.2563  254.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.4903  222.4956  255.7246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.5572  221.4834  255.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.0784  221.8894  255.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.7833  223.8437  254.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0133  222.6969  257.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6184  222.9450  253.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.6395  222.6867  256.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.3859  224.6009  255.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.5407  223.4609  257.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <CHROM.1>
179.64271973,101.84863323,-102.71356419,-179.77076112,202.64253107,222.62942238
255.62635570,1.15718963,0.66017681,-1.40872206

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451175/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.22191

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.08

>  <SCORE.INTRA>
-1.17809

>  <SCORE.INTRA.DIHEDRAL>
-1.66814

>  <SCORE.INTRA.DIHEDRAL.0>
2.90235

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.34402

>  <SCORE.INTRA.VDW.0>
0.0839973

>  <SCORE.INTRA.norm>
-0.235618

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
5

>  <SCORE.norm>
0.844382

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.044748

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 30  0  0  0  0  0  0  0  0999 V2000
  220.9674  184.7463  241.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0936  184.2772  242.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7852  185.0722  243.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3910  186.3394  244.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2656  186.8234  243.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5439  186.0120  241.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8834  188.1950  243.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4458  188.9165  244.1976 F   0  0  0  0  0  0  0  0  0  0  0  0
  223.2405  188.1436  243.2475 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.6370  188.9654  242.0332 F   0  0  0  0  0  0  0  0  0  0  0  0
  218.8378  184.6624  244.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1226  183.4795  244.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1030  183.4614  246.3733 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.6386  185.0322  246.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5591  185.5264  245.9735 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.0433  185.6329  247.8310 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.3494  186.9428  248.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0690  187.6947  247.4724 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6966  187.5454  249.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7119  186.8046  250.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0250  187.3470  251.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3026  188.6490  251.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2762  189.3909  250.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9769  188.8512  249.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6023  191.0054  251.3232 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.3612  185.5254  249.6534 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2913  185.1352  248.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.6578  185.2243  250.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <CHROM.1>
-0.23165907,-4.17313335,-174.84586391,-6.03090661,179.86901441,218.50901726
186.88890150,246.55694582,0.62701864,-0.82673178,-2.60912221

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451186/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.90443

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-2.49557

>  <SCORE.INTRA.DIHEDRAL>
-3.58571

>  <SCORE.INTRA.DIHEDRAL.0>
4.81896

>  <SCORE.INTRA.POLAR>
-0.492404

>  <SCORE.INTRA.POLAR.0>
-0.123112

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.971456

>  <SCORE.INTRA.VDW.0>
-0.641292

>  <SCORE.INTRA.norm>
-0.0959836

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.265555

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000702

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  201.0117  199.8807  244.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9754  199.5870  245.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3269  199.8055  245.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7593  200.3410  243.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7518  200.6545  242.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3982  200.4087  243.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0947  201.2201  241.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4209  201.4957  241.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4283  201.1807  242.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1154  200.5941  243.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7292  200.0744  244.7500 I   0  0  0  0  0  0  0  0  0  0  0  0
  206.7272  201.4556  241.8855 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7558  201.8559  241.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
-0.16235145,205.07833253,200.36689416,243.90673266,2.93121097,-0.05719953
-1.14574728

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451187/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.39512

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-0.00487957

>  <SCORE.INTRA.DIHEDRAL>
-0.0155397

>  <SCORE.INTRA.DIHEDRAL.0>
0.0155589

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00289026

>  <SCORE.INTRA.VDW.0>
0.383462

>  <SCORE.INTRA.norm>
-0.000406631

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.449593

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006548

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  197.6736  218.6058  251.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1216  218.6731  253.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6073  217.5262  253.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0773  217.5786  255.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0333  218.7796  255.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5544  219.9251  255.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0942  219.8720  253.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3855  218.8130  257.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2905  219.9492  258.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7048  220.2235  259.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1392  219.2693  260.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7467  219.6786  261.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9540  220.9623  261.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4956  221.9265  261.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8397  221.5554  259.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5390  221.1446  263.2184 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7789  219.9351  263.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1246  218.9164  262.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8664  217.5857  257.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4698  216.5647  258.1818 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  3  0  0  0  0
M  END
>  <CHROM.1>
-178.24627291,2.83966304,195.09254108,219.37828058,258.26069386,-0.66368172
1.10285501,0.50812090

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451188/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.68399

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-2.71601

>  <SCORE.INTRA.DIHEDRAL>
-6.3285

>  <SCORE.INTRA.DIHEDRAL.0>
6.36722

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.448239

>  <SCORE.INTRA.VDW.0>
-0.662647

>  <SCORE.INTRA.norm>
-0.1358

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.2342

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000102

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  191.1348  208.2256  257.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0013  208.2036  258.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2676  209.1787  258.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9248  207.0130  258.8474 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9436  206.6855  259.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0730  205.4793  260.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1658  205.1435  261.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1081  206.0043  261.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9458  207.1766  261.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8552  207.5094  260.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1586  205.6930  262.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5998  206.1694  264.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2730  207.2567  264.8025 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4476  205.3502  265.0046 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7014  206.3712  258.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.7436  205.6933  265.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <CHROM.1>
-175.04907786,86.84184044,92.57108409,177.92273159,188.22202580,206.81677941
261.07750962,-0.76881641,-0.87342270,2.55821602

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451189/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.35386

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.6

>  <SCORE.INTRA>
-1.04614

>  <SCORE.INTRA.DIHEDRAL>
-0.452575

>  <SCORE.INTRA.DIHEDRAL.0>
2.53028

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.81985

>  <SCORE.INTRA.VDW.0>
-0.0988431

>  <SCORE.INTRA.norm>
-0.0747241

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.525276

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005980

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 18  0  0  0  0  0  0  0  0999 V2000
  218.2662  182.1496  246.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7764  180.7498  246.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0002  180.2607  247.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8527  181.0799  248.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7131  180.5245  249.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7659  179.0338  250.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3805  178.4721  251.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3718  178.2869  248.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4945  178.8997  247.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9635  176.5410  249.2343 Br  0  0  0  0  0  0  0  0  0  0  0  0
  218.5541  181.2813  251.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4493  180.7914  252.0947 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.9192  180.0034  245.1328 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2478  179.6603  244.8351 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.4193  179.8096  243.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.6285  179.8144  252.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.6022  180.7799  251.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3617  179.1515  245.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <CHROM.1>
114.68652488,131.76845867,60.41437878,-139.67236072,219.23374299,179.04083833
248.39986503,1.36223210,1.16427417,-1.01399157

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451190/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.43198

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.626667

>  <SCORE.INTRA>
-0.968022

>  <SCORE.INTRA.DIHEDRAL>
-0.102479

>  <SCORE.INTRA.DIHEDRAL.0>
1.91139

>  <SCORE.INTRA.POLAR>
-0.129288

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.477204

>  <SCORE.INTRA.VDW.0>
-0.703794

>  <SCORE.INTRA.norm>
-0.0645348

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.562132

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002563

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 32  0  0  0  0  0  0  0  0999 V2000
  217.5654  194.6697  244.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7641  193.8449  245.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2863  194.4672  246.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.4963  192.3581  245.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6895  191.3893  245.8450 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.7509  191.7092  246.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8164  192.2295  246.6827 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2986  191.5182  248.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9289  191.8535  249.4882 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.2865  191.2136  250.5558 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.2780  190.5311  250.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1474  190.7788  248.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2136  189.4279  250.9511 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.1774  188.4366  249.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9588  187.3628  249.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0661  187.6506  250.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0468  190.0866  246.1569 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.5572  189.2513  245.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7270  189.4643  243.9962 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.7872  188.0389  245.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3197  188.3590  245.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1064  189.6267  246.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6149  189.8043  247.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3015  191.1860  247.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1465  191.5429  248.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7773  191.1330  250.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4940  191.5747  251.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6093  192.3939  251.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0197  192.7579  249.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2917  192.3357  248.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8172  189.8909  247.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
168.07452525,55.73115330,-100.42682966,81.85308890,-171.72275750,-168.07925832
72.43882990,85.24037950,-47.60905129,-175.20589199,-168.25503185,-53.48436988
-84.70590628,217.92121765,190.82043236,248.00014177,0.78770032,-0.74702302
-1.63233998

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451191/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1365

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.613333

>  <SCORE.INTRA>
-7.26355

>  <SCORE.INTRA.DIHEDRAL>
0.987408

>  <SCORE.INTRA.DIHEDRAL.0>
6.86223

>  <SCORE.INTRA.POLAR>
-0.658922

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.51692

>  <SCORE.INTRA.VDW.0>
-3.92055

>  <SCORE.INTRA.norm>
-0.242118

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.371215

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001014

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  202.8643  198.9593  245.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8780  199.7705  245.3589 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.6855  199.4250  244.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5767  200.3875  244.1333 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3276  201.3800  245.0445 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2968  201.0092  245.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5887  201.9696  247.0601 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.3479  203.2047  247.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.1643  201.9583  246.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9328  201.0394  248.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4255  201.0150  248.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9429  199.5852  249.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.8109  198.7424  247.8390 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.7254  197.3184  248.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4912  196.4109  246.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4573  196.7306  245.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1047  197.9067  245.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9212  198.9738  246.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7665  195.7199  244.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5980  196.0582  243.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8034  195.1615  242.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1813  193.9045  242.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3652  193.5574  243.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1537  194.4653  244.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6413  195.5510  241.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1129  196.8285  241.6103 F   0  0  0  0  0  0  0  0  0  0  0  0
  209.7363  194.7568  241.3984 F   0  0  0  0  0  0  0  0  0  0  0  0
  207.9492  195.4655  240.3823 F   0  0  0  0  0  0  0  0  0  0  0  0
  204.6444  198.1949  243.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4798  198.0530  242.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5470  196.9416  241.6179 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7267  195.9226  241.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8298  195.9716  242.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7800  197.1301  243.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <CHROM.1>
175.55981345,-177.41196462,67.50879196,-127.30880392,62.64604091,-154.23081039
175.65122244,-1.89043743,205.70964581,198.09785843,244.85014457,2.41545022
-0.99805503,1.47152400

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451192/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.61224

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.394118

>  <SCORE.INTRA>
-10.7878

>  <SCORE.INTRA.DIHEDRAL>
-10.276

>  <SCORE.INTRA.DIHEDRAL.0>
18.8243

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.64973

>  <SCORE.INTRA.VDW.0>
-2.27788

>  <SCORE.INTRA.norm>
-0.317287

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.0768307

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000946

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  221.6495  190.5880  247.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7721  189.5463  246.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7240  188.2181  247.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8553  186.9101  247.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9862  185.2573  246.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1551  184.4735  245.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.6104  184.7254  243.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3874  185.8946  243.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4807  186.6655  241.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7107  188.2402  241.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6298  189.1551  242.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3212  189.1115  244.1065 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.9543  188.8046  244.5802 C   0  0  1  0  0  0  0  0  0  0  0  0
  220.6852  189.5144  244.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3184  190.2087  245.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8596  187.3933  244.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6378  186.7637  244.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.4289  187.1787  245.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.0355  186.2956  245.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.1826  188.2182  244.7760 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.0900  188.9676  240.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3609  183.1637  245.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8262  182.7975  246.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2666  182.4260  244.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7568  181.6034  244.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 12 11  1  6  0  0  0
 12 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
-3.21541857,-179.68007133,222.25229101,187.05496116,244.77929237,1.26466425
1.09790226,0.10927149

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451193/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59579

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.266667

>  <SCORE.INTRA>
-1.80421

>  <SCORE.INTRA.DIHEDRAL>
-3.61987

>  <SCORE.INTRA.DIHEDRAL.0>
3.66259

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00572254

>  <SCORE.INTRA.VDW.0>
0.831521

>  <SCORE.INTRA.norm>
-0.0751756

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.191491

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010698

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  7  6  0  0  0  0  0  0  0  0999 V2000
  184.1589  218.4410  266.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.9263  216.7839  265.6943 P   0  0  0  0  0  0  0  0  0  0  0  0
  184.8629  216.9676  264.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6937  215.1268  265.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.7916  218.9500  265.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
  184.5174  216.3794  266.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.2681  215.1637  264.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <CHROM.1>
63.43195787,62.66672020,184.10657896,216.82152087,265.45639063,1.34092034
0.94142656,0.44629094

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451240/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.35

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0219033

>  <SCORE.INTRA.VDW.0>
-0.0810582

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
4

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.572382

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  194.7802  215.4776  262.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3933  215.5650  262.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6483  214.9133  261.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2872  214.1688  260.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6925  214.1205  260.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4285  214.7532  261.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6462  213.3662  259.2733 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  192.4597  213.5159  259.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4822  214.0898  258.8255 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7233  211.8265  259.0436 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.9268  215.0843  261.6352 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  191.3269  215.0425  259.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6555  211.5554  259.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
45.23566750,3.86869099,193.30150346,214.02026736,260.45140581,-2.28447521
0.01446291,-2.30317014

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451250/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.25711

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.672727

>  <SCORE.INTRA>
-2.14289

>  <SCORE.INTRA.DIHEDRAL>
-0.691688

>  <SCORE.INTRA.DIHEDRAL.0>
7.85272

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.79705

>  <SCORE.INTRA.VDW.0>
0.514088

>  <SCORE.INTRA.norm>
-0.194808

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.477919

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001902

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  199.1352  225.0716  248.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9480  223.6901  248.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.9412  223.0893  249.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5031  222.2454  250.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4254  221.5849  250.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7976  221.7528  250.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2339  222.5655  249.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3088  223.2304  248.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7621  221.1687  251.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6605  220.0473  252.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7323  219.6543  253.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1409  219.6730  254.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9607  218.7182  254.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2583  218.2638  253.5683 C   0  0  2  0  0  0  0  0  0  0  0  0
  201.4857  219.1186  252.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7280  218.9798  251.2862 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6965  218.0926  251.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1623  217.6762  252.4513 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7294  218.1929  253.7008 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.2518  217.3119  254.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5787  217.8659  255.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2591  217.0787  257.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5842  215.7227  257.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2213  215.1519  255.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5530  215.9420  254.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2804  215.0829  258.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8375  213.7380  258.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0789  217.4642  249.8573 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.9198  218.1699  249.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <CHROM.1>
136.05086427,30.99839380,-0.85064640,114.08037207,144.26608343,200.20594832
219.13197782,252.67922653,1.39004968,-0.48552571,-0.89763718

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451251/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.28473

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-4.11527

>  <SCORE.INTRA.DIHEDRAL>
-7.38383

>  <SCORE.INTRA.DIHEDRAL.0>
15.1961

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.423351

>  <SCORE.INTRA.VDW.0>
1.49487

>  <SCORE.INTRA.norm>
-0.146974

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.224455

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  213.3188  188.8309  252.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6312  188.1666  252.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1960  188.3446  253.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.2242  187.2207  251.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3766  186.6125  252.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7561  185.7589  250.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7887  185.1152  250.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.7558  185.9136  249.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.7254  186.8434  250.3404 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.3531  186.1860  250.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1582  184.9278  250.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9169  184.2967  250.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8464  184.9204  250.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0127  186.1805  249.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2588  186.8102  249.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7669  185.2476  248.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7300  184.4504  248.2783 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4680  184.0232  246.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2345  183.1137  246.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8627  182.8165  244.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7469  183.4170  244.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9611  184.3053  245.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3329  184.5789  246.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5471  185.5783  247.5318 S   0  0  0  0  0  0  0  0  0  0  0  0
  217.1335  186.7327  253.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6684  187.3510  253.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  1  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
-178.05333158,1.55021595,-2.91546276,-65.76045026,214.93931118,185.65488319
249.49906990,1.77127384,-0.07915576,1.09363419

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451252/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.571718

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
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>  <SCORE.INTRA>
-8.97172

>  <SCORE.INTRA.DIHEDRAL>
-17.4463

>  <SCORE.INTRA.DIHEDRAL.0>
18.5383

>  <SCORE.INTRA.POLAR>
-0.102126

>  <SCORE.INTRA.POLAR.0>
-0.011925

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0986575

>  <SCORE.INTRA.VDW.0>
-2.44571

>  <SCORE.INTRA.norm>
-0.358869

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
-0.0228687

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002153

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 42  0  0  0  0  0  0  0  0999 V2000
  187.8048  217.7545  253.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2891  217.4460  253.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0250  218.6722  253.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3924  218.5492  253.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0927  219.5931  254.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4927  219.5437  254.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2113  218.5234  253.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4854  217.4748  253.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0882  217.4919  253.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5852  218.6520  253.9072 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9174  219.6961  254.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6049  220.6102  255.2400 S   0  0  0  0  0  0  0  0  0  0  0  0
  197.1874  220.1767  254.8437 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5952  221.4428  255.4461 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.7028  221.9849  254.5267 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.3025  220.6907  254.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4484  220.4946  253.7799 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2287  219.6028  254.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3547  218.5473  253.5674 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1798  222.8297  253.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7266  223.8819  253.0381 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9821  222.3726  252.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8382  223.1717  252.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7272  222.6875  251.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7676  221.4220  251.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8998  220.6231  251.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0039  221.0944  252.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7089  220.9722  250.5204 F   0  0  0  0  0  0  0  0  0  0  0  0
  198.1243  221.2706  256.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8677  222.2058  257.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3176  222.0725  259.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0834  220.9265  259.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3558  219.9834  258.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8882  220.1538  257.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4813  220.7629  260.8509 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8755  220.4787  261.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0325  223.0716  260.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0204  222.7227  261.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  1  0  0  0
 15 16  1  0  0  0  0
 15 20  1  6  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 22 23  2  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <CHROM.1>
179.92164704,-153.17979971,169.01669568,-142.71652357,137.79663807,124.12626569
106.19829895,-129.50623294,196.05824639,220.52395542,255.02116812,2.56793139
-0.40317926,-1.44322570

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451253/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.59143

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352632

>  <SCORE.INTRA>
-3.80857

>  <SCORE.INTRA.DIHEDRAL>
11.213

>  <SCORE.INTRA.DIHEDRAL.0>
10.3904

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.41505

>  <SCORE.INTRA.VDW.0>
5.08567

>  <SCORE.INTRA.norm>
-0.100225

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.252406

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000006

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 39  0  0  0  0  0  0  0  0999 V2000
  190.7040  221.7610  258.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1459  222.8772  259.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0181  222.7703  260.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4880  223.8310  261.1470 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1151  225.0852  261.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6363  226.0938  261.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.3119  225.1499  260.4688 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.8501  224.1783  259.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8414  224.3904  258.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.1513  223.7674  261.7725 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.8759  222.5187  262.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3673  222.6353  262.8100 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.8713  223.1510  261.4609 C   0  0  2  0  0  0  0  0  0  0  0  0
  186.0395  223.8115  260.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.6486  224.1312  261.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2154  224.7759  260.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.3167  225.7666  259.4965 P   0  0  1  0  0  0  0  0  0  0  0  0
  185.2304  225.0308  258.5712 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3611  226.7459  258.6599 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.0591  226.7640  260.5826 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.5532  227.1887  259.8209 P   0  0  1  0  0  0  0  0  0  0  0  0
  185.7781  228.1908  258.9529 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.9291  228.1120  261.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.0474  227.6134  259.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.6478  226.6558  258.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8383  227.0022  257.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4443  226.1016  256.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8780  224.8540  256.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7072  224.4911  257.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0982  225.3911  258.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1761  223.6347  263.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.4717  223.2177  265.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8923  222.1077  265.3667 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.3567  224.3656  266.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7467  226.0608  260.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.8632  227.5211  258.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.5668  227.5782  261.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
 10  4  1  6  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  6  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  6  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
48.94572159,-74.95084724,173.21343442,-61.54212631,87.00734252,166.68108928
156.72293669,78.20616916,101.87680073,43.36272948,178.93391354,1.47792076
187.11324634,224.99184894,260.39640590,-0.74434390,-0.36338987,2.23592197

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451254/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.470434

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452941

>  <SCORE.INTRA>
-14.9296

>  <SCORE.INTRA.DIHEDRAL>
-15.239

>  <SCORE.INTRA.DIHEDRAL.0>
24.3818

>  <SCORE.INTRA.POLAR>
-1.24556

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.07519

>  <SCORE.INTRA.VDW.0>
-5.35236

>  <SCORE.INTRA.norm>
-0.439105

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.0138363

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002228

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 18  0  0  0  0  0  0  0  0999 V2000
  206.6541  215.5467  254.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3865  215.2923  254.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2583  215.5429  255.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3644  215.9832  256.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6578  216.2558  257.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7889  216.0514  256.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1548  216.1788  257.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1353  217.2386  258.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0064  217.5188  259.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8429  216.7825  258.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8018  215.7349  257.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9713  215.3769  257.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8455  214.2206  256.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6961  213.5447  256.2162 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5946  213.9992  256.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6048  215.0462  257.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-144.23033176,202.91886913,215.63106686,256.89119453,0.18608429,-0.32364554
-2.32608591

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451255/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3513

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-0.0487023

>  <SCORE.INTRA.DIHEDRAL>
-0.681732

>  <SCORE.INTRA.DIHEDRAL.0>
2.14513

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.292164

>  <SCORE.INTRA.VDW.0>
-0.551721

>  <SCORE.INTRA.norm>
-0.00304389

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.396956

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.025850

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 62 64  0  0  0  0  0  0  0  0999 V2000
  176.2837  220.6439  258.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.3922  220.4905  256.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.9045  219.1134  256.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.1226  218.8720  254.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.6127  218.6816  254.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9009  218.3661  252.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4108  218.4167  252.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.8246  218.1309  251.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3588  219.1767  250.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8338  219.1830  249.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.2592  220.3852  249.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.7348  220.5639  249.3078 C   0  0  1  0  0  0  0  0  0  0  0  0
  175.1379  220.7746  250.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.6306  222.0251  251.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.0271  223.0870  251.4484 O   0  0  0  0  0  0  0  0  0  0  0  0
  176.8436  221.8037  252.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.5449  222.9667  252.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
  178.8761  222.4989  253.2105 C   0  0  2  0  0  0  0  0  0  0  0  0
  179.7879  221.8571  252.1069 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.0663  222.8500  251.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.8389  223.2781  250.4176 C   0  0  1  0  0  0  0  0  0  0  0  0
  177.8817  223.9512  251.4185 C   0  0  2  0  0  0  0  0  0  0  0  0
  178.4579  225.1509  251.9482 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.1142  224.2451  249.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.9024  224.5142  248.5550 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.9697  221.2856  252.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.0760  222.3907  253.4244 P   0  0  1  0  0  0  0  0  0  0  0  0
  183.0236  221.2333  253.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4780  222.9545  251.9417 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.1823  223.4957  254.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.7424  224.9055  254.8311 P   0  0  1  0  0  0  0  0  0  0  0  0
  183.7268  225.3952  255.8459 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.6973  225.8937  253.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
  181.1766  225.0527  255.3393 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.7770  224.3421  256.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1126  222.8286  256.8512 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.5741  222.3701  256.9588 C   0  0  2  0  0  0  0  0  0  0  0  0
  182.4406  220.9456  257.5183 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.1959  221.0833  258.4285 C   0  0  1  0  0  0  0  0  0  0  0  0
  180.4138  222.2312  257.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.3726  219.8724  258.5347 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.2154  219.2000  259.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.4083  218.1433  259.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.6697  217.6699  258.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.8925  216.7276  258.7358 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.9014  218.3555  257.5200 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.6628  219.4780  257.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.7072  220.0877  256.3379 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.3003  219.9908  256.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.3462  223.1947  257.8193 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.6208  221.6389  254.3791 N   0  0  0  0  0  0  0  0  0  0  0  0
  175.3561  221.6421  248.4498 O   0  0  0  0  0  0  0  0  0  0  0  0
  177.8994  225.4819  252.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
  177.3520  225.0608  249.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.1098  222.4564  251.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.3659  226.7788  253.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
  178.3917  218.0510  256.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
  182.8817  220.2193  255.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
  183.4000  224.0952  257.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
  178.1696  222.1668  255.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
  179.4994  221.2822  254.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
  174.3808  221.7188  248.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  1  0  0  0
 19 20  1  0  0  0  0
 19 26  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  6  0  0  0
 22 23  1  1  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  1  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 56  1  0  0  0  0
 34 35  1  0  0  0  0
 36 35  1  1  0  0  0
 36 40  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 50  1  1  0  0  0
 38 39  1  0  0  0  0
 38 49  1  6  0  0  0
 39 40  1  0  0  0  0
 39 41  1  6  0  0  0
 41 47  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 57  1  0  0  0  0
 47 48  2  0  0  0  0
 49 58  1  0  0  0  0
 50 59  1  0  0  0  0
 51 60  1  0  0  0  0
 51 61  1  0  0  0  0
 52 62  1  0  0  0  0
M  END
>  <CHROM.1>
-174.54527443,71.52851989,177.16674221,170.76863573,-179.41061986,65.66575217
-68.30687584,167.21555155,-166.56901132,60.70964509,61.82515055,177.54024612
98.21351052,171.06625368,178.46801435,-66.08949352,-65.24386654,173.77923355
-49.48567867,70.26886538,-177.87585760,-7.92831385,-133.43609695,157.02619094
174.81995604,73.11227014,-46.79432003,61.01657761,-64.04938193,39.69540094
115.78725159,179.52012837,221.58602687,254.09781333,1.00198145,0.68433451
2.10911407

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451256/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.49452

>  <SCORE.INTER>
29.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
24

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.565385

>  <SCORE.INTRA>
-23.9055

>  <SCORE.INTRA.DIHEDRAL>
-16.9117

>  <SCORE.INTRA.DIHEDRAL.0>
33.3495

>  <SCORE.INTRA.POLAR>
-1.95825

>  <SCORE.INTRA.POLAR.0>
-0.0042685

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-8.79156

>  <SCORE.INTRA.VDW.0>
-7.59701

>  <SCORE.INTRA.norm>
-0.459721

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
52

>  <SCORE.norm>
0.105664

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026405

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 14  0  0  0  0  0  0  0  0999 V2000
  213.6451  183.1356  248.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6427  183.7289  246.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4333  183.2915  245.7471 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.2184  183.8696  246.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7707  185.1782  247.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2130  185.2402  246.5128 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.0896  185.4963  244.9597 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5866  184.1242  244.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1559  186.6344  244.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3353  185.8169  244.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.0898  186.2337  247.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0059  183.3312  246.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6905  186.6383  244.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  7 10  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
-62.14272857,213.13409923,184.70535535,245.99056967,-1.49624880,0.02445593
-0.77084100

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451257/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.75145

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-2.64855

>  <SCORE.INTRA.DIHEDRAL>
-4.3927

>  <SCORE.INTRA.DIHEDRAL.0>
4.47423

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.452204

>  <SCORE.INTRA.VDW.0>
0.971415

>  <SCORE.INTRA.norm>
-0.220713

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.229287

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000581

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 32 36  0  0  0  0  0  0  0  0999 V2000
  205.7490  215.3970  251.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6535  214.8764  251.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2836  215.0989  251.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2850  214.5591  252.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7037  213.8798  253.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0501  213.6986  253.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0174  214.1665  253.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7444  213.1702  254.4108 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6977  212.6626  253.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3703  211.4919  253.8084 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.0176  213.6261  252.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8286  214.5636  252.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5445  213.2470  252.5267 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.2637  211.8348  251.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2607  211.0949  252.4458 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.1759  209.9896  251.6570 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.1200  210.0022  250.7371 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8625  211.1067  250.9781 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.9233  211.4550  250.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3770  211.3150  250.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6417  210.3293  251.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9051  210.1887  252.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9387  211.0396  251.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7115  212.0223  250.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4441  212.1590  250.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5569  213.8048  253.5270 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5639  215.2729  253.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5927  215.8430  254.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0551  214.8012  255.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1779  213.8738  256.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8280  213.1906  254.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1111  212.5121  255.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  1  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <CHROM.1>
-55.76386098,138.26128945,57.70279586,83.49508011,28.73899438,200.52935380
212.88823310,252.62164651,-0.15313963,0.23998029,0.62740974

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451322/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.45387

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335484

>  <SCORE.INTRA>
-5.94613

>  <SCORE.INTRA.DIHEDRAL>
-1.82636

>  <SCORE.INTRA.DIHEDRAL.0>
6.80175

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.03295

>  <SCORE.INTRA.VDW.0>
-2.79145

>  <SCORE.INTRA.norm>
-0.191811

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.143673

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  222.4545  185.5671  248.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5192  184.7702  247.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5180  183.3833  247.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5340  182.6257  246.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6111  183.2722  246.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.5923  184.6949  245.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5487  185.4018  246.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.5607  185.6514  245.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.6863  182.3802  245.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4056  181.2427  245.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.1093  182.8667  245.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7869  183.5055  246.2931 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.0273  182.6909  247.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.7339  181.5115  247.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
  229.5471  183.5267  248.5328 C   0  0  1  0  0  0  0  0  0  0  0  0
  230.9829  184.1093  248.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
  231.5485  185.0551  249.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  232.0680  183.0530  247.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.5712  184.6174  248.8504 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.1196  184.1753  249.6623 S   0  0  0  0  0  0  0  0  0  0  0  0
  226.4920  183.1688  248.8303 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.4188  183.8904  251.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.0793  185.6048  249.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9806  185.5899  250.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1845  186.7177  250.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.5142  187.8839  249.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6331  187.9013  249.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.4348  186.7571  248.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7792  189.0350  249.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8806  189.0060  251.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1801  187.6612  251.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1234  186.6186  251.4152 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.3836  181.1233  246.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.2524  185.0539  247.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  6  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 32  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
29.44074638,48.13630093,65.66724655,0.78534030,-67.27583427,175.46546141
74.61526480,-56.42368608,-166.95249544,226.31988791,184.65592566,248.29613809
2.38587666,-0.19350477,0.79877004

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451323/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.98398

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.436364

>  <SCORE.INTRA>
-12.416

>  <SCORE.INTRA.DIHEDRAL>
-10.6091

>  <SCORE.INTRA.DIHEDRAL.0>
18.101

>  <SCORE.INTRA.POLAR>
-0.0438607

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.96236

>  <SCORE.INTRA.VDW.0>
0.0435919

>  <SCORE.INTRA.norm>
-0.376243

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0601207

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000058

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 15  0  0  0  0  0  0  0  0999 V2000
  216.7518  197.2605  234.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3388  197.3722  235.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7715  196.0484  236.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3607  196.1560  237.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7924  194.8321  237.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3834  194.9423  239.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8136  193.6199  239.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4014  193.7320  241.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8299  192.4104  241.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4193  192.5218  243.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8447  191.2009  243.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4346  191.3078  245.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8570  189.9831  245.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4340  190.0866  247.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8566  188.7958  247.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6035  188.7138  248.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
179.82346767,179.86041688,179.97069353,179.90952788,-179.84416939,179.91977856
179.92578477,179.88674561,179.90724081,179.92608449,-179.54872203,179.67145422
-120.71332659,213.08678980,193.09949195,241.49794195,0.44772929,-1.09627176
-2.08462819

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451324/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.3996

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.15

>  <SCORE.INTRA>
-0.000396056

>  <SCORE.INTRA.DIHEDRAL>
0.00256621

>  <SCORE.INTRA.DIHEDRAL.0>
0.0002425

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00167916

>  <SCORE.INTRA.VDW.0>
-1.81892

>  <SCORE.INTRA.norm>
-2.47535e-05

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
1.14998

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.016116

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  210.6551  192.4560  253.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8832  192.6699  252.2132 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.4522  191.3252  251.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5420  190.6297  250.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1817  191.5067  249.4917 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.6915  192.8699  250.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4669  193.3239  249.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9390  194.4797  250.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.6367  194.7530  249.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5512  193.6134  251.0272 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.8345  194.2598  250.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6098  195.3141  249.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7748  196.4726  249.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5966  196.6393  249.5774 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4584  197.4607  250.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3107  191.5839  248.4184 C   0  0  1  0  0  0  0  0  0  0  0  0
  212.5836  190.2584  247.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0534  192.6304  247.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8875  193.4601  247.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.8081  192.5283  246.8115 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5176  193.5065  245.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  6  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
66.98261811,179.89284318,-174.34496323,60.35758890,-106.51181378,130.88662427
179.15104600,211.28040391,193.44695635,249.53996447,-2.77780652,1.35521708
-1.39599805

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451325/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.41136

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.590476

>  <SCORE.INTRA>
-3.98864

>  <SCORE.INTRA.DIHEDRAL>
-6.51777

>  <SCORE.INTRA.DIHEDRAL.0>
9.217

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.729754

>  <SCORE.INTRA.VDW.0>
-1.08258

>  <SCORE.INTRA.norm>
-0.189935

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.400541

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 33  0  0  0  0  0  0  0  0999 V2000
  191.8684  210.1142  255.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5143  210.4996  254.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2073  211.6989  254.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1003  212.6605  255.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6631  212.3751  256.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3874  211.1061  256.8955 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4682  213.4092  257.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7326  214.7279  256.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2515  215.0003  255.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.4358  213.9697  254.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5037  216.3388  255.3623 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9832  216.8461  254.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6157  216.9331  253.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.5538  217.3554  254.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7587  216.5518  255.2018 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4404  216.9205  256.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6906  218.0672  257.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1951  218.0835  258.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4679  217.0097  259.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2309  215.8745  258.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7384  215.8322  257.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6747  214.8234  256.0869 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2998  215.2552  255.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5049  214.3832  253.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0992  213.0578  253.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4017  212.3818  252.6481 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.9823  213.2152  251.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2032  214.8105  252.3882 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.4362  216.6672  255.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <CHROM.1>
-127.84670552,-97.92417592,-36.05260943,102.48281794,174.56644055,190.59392516
214.58423113,255.27695082,0.07824658,-1.27868946,2.14373120

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451326/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.17783

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-6.22217

>  <SCORE.INTRA.DIHEDRAL>
-2.48521

>  <SCORE.INTRA.DIHEDRAL.0>
7.46765

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.97957

>  <SCORE.INTRA.VDW.0>
-3.03638

>  <SCORE.INTRA.norm>
-0.222221

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.149208

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000177

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  220.4145  196.5316  242.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3890  195.8782  243.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3244  194.4836  243.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2632  193.7217  242.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3023  194.3994  241.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3816  195.7927  241.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0378  192.2079  242.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5619  191.7944  243.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5833  192.3133  242.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2409  191.9505  242.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8451  191.0941  243.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7840  190.6161  244.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1277  190.9780  244.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8085  191.4226  241.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8305  190.7896  242.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2524  191.3835  240.5414 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.8403  190.5877  239.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0225  191.2791  238.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3126  190.7381  238.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4183  191.3925  238.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2310  192.5837  237.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.9557  193.1321  237.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8540  192.4727  238.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.6245  193.4150  237.0465 S   0  0  0  0  0  0  0  0  0  0  0  0
  225.1709  194.4502  236.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.6039  193.6580  238.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.2743  192.2087  236.0737 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.5454  192.0578  240.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.5987  191.4320  236.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
  225.6058  191.9442  235.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <CHROM.1>
83.31866167,49.66677095,104.47065299,-79.95920950,114.43959263,168.21882383
-64.52905420,221.49913828,192.67622214,240.44769217,-2.92515092,-0.68190729
-2.70390838

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451327/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.1489

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.459259

>  <SCORE.INTRA>
-2.25112

>  <SCORE.INTRA.DIHEDRAL>
-2.33283

>  <SCORE.INTRA.DIHEDRAL.0>
7.68053

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.0847

>  <SCORE.INTRA.VDW.0>
-3.82996

>  <SCORE.INTRA.norm>
-0.0833748

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.375884

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002579

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  196.3168  217.0720  254.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5432  216.6309  252.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4792  216.5263  252.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1916  216.8704  252.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9692  217.3267  253.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0246  217.4261  254.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7731  217.9170  256.1103 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.1387  216.8784  257.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5006  215.8421  257.3353 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.2418  217.1577  257.9126 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4966  219.1349  256.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7569  215.9588  250.4764 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  196.6631  218.0119  257.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.1457  219.7714  255.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <CHROM.1>
-61.12213263,-68.77544173,60.91640430,2.60459456,195.35657220,216.96601818
254.27809291,0.50835170,1.52465453,-0.69595142

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451328/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.45235

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.616667

>  <SCORE.INTRA>
-4.94765

>  <SCORE.INTRA.DIHEDRAL>
-7.04063

>  <SCORE.INTRA.DIHEDRAL.0>
8.9032

>  <SCORE.INTRA.POLAR>
-0.229374

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.647456

>  <SCORE.INTRA.VDW.0>
-0.280994

>  <SCORE.INTRA.norm>
-0.412304

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.204363

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001540

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  193.1642  207.7919  262.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0404  208.3218  261.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9110  209.5916  261.5627 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.7557  209.7581  260.7355 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.1537  208.5438  260.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1153  208.3992  259.8628 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9945  207.5371  261.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8640  206.2051  261.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8667  205.4685  260.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4930  204.1408  260.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4726  203.8560  259.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2743  205.0135  259.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1298  205.9723  259.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4027  205.3931  257.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5024  204.4634  257.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.6680  204.8126  256.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7194  206.1003  255.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5965  207.0425  256.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4368  206.6879  257.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6943  206.5247  254.4898 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
-168.05691572,0.77503871,188.64013798,206.63997647,258.91231628,-0.05677087
0.80377029,2.88286480

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451329/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.34302

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-2.05698

>  <SCORE.INTRA.DIHEDRAL>
-5.76964

>  <SCORE.INTRA.DIHEDRAL.0>
6.42431

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.827839

>  <SCORE.INTRA.VDW.0>
-1.28852

>  <SCORE.INTRA.norm>
-0.102849

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.267151

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000954

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 59 65  0  0  0  0  0  0  0  0999 V2000
  212.9765  207.0648  240.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5140  206.6083  239.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3839  207.3186  238.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2389  205.2801  239.2910 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7742  204.6728  238.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5139  203.2027  238.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2107  202.2093  237.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7193  200.9248  237.6803 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.2750  200.7063  237.4457 C   0  0  1  0  0  0  0  0  0  0  0  0
  210.3752  199.4722  238.3875 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.7774  200.0496  238.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6025  199.8734  239.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3287  198.1509  237.7107 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2335  197.7863  236.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.1407  198.5055  236.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.0331  196.3863  236.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5545  195.9942  235.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.2810  196.9909  234.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4713  197.5044  233.3142 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.1737  198.5657  232.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8772  199.8368  233.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5614  199.6366  233.9134 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.3721  198.3511  233.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2515  197.7949  234.4625 N   0  0  0  0  0  0  0  0  0  0  0  0
  210.1993  195.4186  236.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9360  194.1571  236.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7429  193.4081  237.3118 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.7739  194.7163  238.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5713  195.6992  238.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.0398  194.7837  239.6046 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2477  195.7827  240.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7894  195.7579  241.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4736  194.5662  241.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8644  194.5072  241.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6226  195.6426  241.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9875  196.8441  240.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5902  196.9075  240.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7471  197.1769  240.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8044  198.3636  240.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1577  199.5314  240.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4407  199.5447  239.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4178  198.4076  238.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0775  197.2455  238.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3257  195.4326  241.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9335  195.2775  241.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0696  195.2198  242.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5831  195.2280  244.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9594  195.2192  244.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8217  195.2892  243.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1289  201.9786  238.0762 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.3149  202.8593  239.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4455  202.4348  236.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0489  203.4888  236.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.8240  201.3213  236.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.7979  197.3826  238.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.8623  198.2349  235.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5518  197.5520  233.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
  207.0715  194.5038  239.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
  213.2356  200.5493  236.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 51  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 52  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  1  0  0  0
 10 11  1  0  0  0  0
 10 13  1  6  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 58  1  0  0  0  0
 31 32  1  0  0  0  0
 31 38  1  0  0  0  0
 31 44  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 38 43  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 44 49  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 50 51  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 59  1  0  0  0  0
M  END
>  <CHROM.1>
179.52695094,179.63144289,-113.52574991,9.27576630,57.62256415,162.53229880
177.07878905,-101.85308359,-178.35799210,143.27514459,168.52211629,-50.62058416
-53.15965899,-179.25372952,-54.42435348,0.18673501,210.19174020,198.67530580
238.38674961,0.55775972,1.05314845,0.59675358

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451354/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.61641

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.377778

>  <SCORE.INTRA>
-11.7836

>  <SCORE.INTRA.DIHEDRAL>
-12.0855

>  <SCORE.INTRA.DIHEDRAL.0>
18.5872

>  <SCORE.INTRA.POLAR>
-0.634403

>  <SCORE.INTRA.POLAR.0>
-1.03222

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.58386

>  <SCORE.INTRA.VDW.0>
-8.70337

>  <SCORE.INTRA.norm>
-0.218215

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
0.159563

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000530

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 38 44  0  0  0  0  0  0  0  0999 V2000
  220.7974  182.7042  246.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.1304  181.6044  245.6426 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.1382  181.6723  244.1123 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.4906  181.9014  243.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5198  182.7574  242.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1390  184.2588  242.3700 C   0  0  1  0  0  0  0  0  0  0  0  0
  219.6160  184.4928  242.1331 C   0  0  2  0  0  0  0  0  0  0  0  0
  219.1361  186.0358  242.1913 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.5586  186.8656  241.0529 C   0  0  2  0  0  0  0  0  0  0  0  0
  218.8717  187.4118  239.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5581  187.5879  239.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8315  186.1797  241.0518 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.7010  185.8494  242.5572 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.6363  184.6214  243.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6975  183.8154  243.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8513  182.3926  243.6911 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.9915  182.1739  244.8308 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.6481  181.6498  245.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1179  181.3102  246.9447 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.4603  184.6079  244.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7136  187.5109  241.4126 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.1380  188.0088  240.6641 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.1533  186.9682  240.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.7744  186.1440  238.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2015  184.8031  239.5036 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.5641  184.9627  240.1299 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.7150  183.6965  240.8056 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4901  183.1351  241.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3108  182.0566  241.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.4382  184.1093  240.6254 C   0  0  2  0  0  0  0  0  0  0  0  0
  213.1301  183.4635  240.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9656  189.2313  239.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4161  188.4547  241.8635 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.6776  189.2999  240.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6100  184.8224  243.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8546  184.9714  241.3461 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.3892  187.7103  242.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.5398  184.6341  240.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  1  0  0  0
  6 36  1  0  0  0  0
  7 15  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 33 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <CHROM.1>
61.94771963,-57.17519635,217.70935999,184.75246549,242.16471141,-0.92191015
-0.23177312,-0.59367118

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451355/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.27342

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.15

>  <SCORE.INTRA>
-2.12658

>  <SCORE.INTRA.DIHEDRAL>
0.0194107

>  <SCORE.INTRA.DIHEDRAL.0>
0.196505

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.13628

>  <SCORE.INTRA.VDW.0>
2.34453

>  <SCORE.INTRA.norm>
-0.0590716

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.0909284

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004440

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  207.7750  193.7588  239.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1156  194.5234  240.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7828  194.4959  242.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2248  195.2321  243.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0737  195.9844  243.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4125  195.9945  241.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9187  195.2568  240.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0583  195.2625  239.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7249  196.5972  244.2033 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5813  196.1583  245.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5535  195.3766  244.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5100  196.4013  246.5899 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.3713  197.4299  246.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8883  197.0173  246.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4364  196.0323  247.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0228  198.2844  246.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5496  195.1741  247.4619 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0695  193.9062  247.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1157  192.8560  247.8268 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.6588  192.9357  249.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7395  191.7914  249.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2612  191.8574  251.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7128  193.0716  251.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6253  194.2161  250.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0925  194.1334  249.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8879  195.3305  248.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9299  196.3794  249.4560 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4748  193.6335  245.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2641  194.1623  245.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8009  193.8705  243.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4846  192.9625  243.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6430  192.3574  243.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1426  192.7022  244.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2679  194.8551  244.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  6  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-8.09127946,72.52751963,-28.95746501,69.02414095,-67.16951850,206.03775985
194.74296622,245.73158835,-1.72097882,-1.06219641,1.54223152

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451356/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.20315

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.315152

>  <SCORE.INTRA>
-3.19685

>  <SCORE.INTRA.DIHEDRAL>
3.15608

>  <SCORE.INTRA.DIHEDRAL.0>
5.98807

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.77489

>  <SCORE.INTRA.VDW.0>
-2.96235

>  <SCORE.INTRA.norm>
-0.0968743

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.218277

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 19  0  0  0  0  0  0  0  0999 V2000
  200.0558  215.2116  256.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5640  216.4887  256.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4561  217.0738  257.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8472  216.3914  258.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3355  215.1149  258.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4332  214.5187  257.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9765  213.2696  258.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7492  212.5462  257.3985 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.1135  212.3879  256.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2951  211.4128  258.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4384  213.7530  257.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7825  214.0872  256.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8170  215.0965  256.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5169  215.7612  257.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1723  215.4252  258.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1396  214.4171  258.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3396  217.0154  257.4214 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  202.0746  218.6469  257.0014 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <CHROM.1>
-9.42752463,59.65480258,129.83899588,198.66439847,215.12389243,257.41427334
-0.34878409,0.01860612,3.09089116

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451357/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.82483

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.466667

>  <SCORE.INTRA>
-0.57517

>  <SCORE.INTRA.DIHEDRAL>
0.233271

>  <SCORE.INTRA.DIHEDRAL.0>
1.23694

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.691805

>  <SCORE.INTRA.VDW.0>
-1.45178

>  <SCORE.INTRA.norm>
-0.0319539

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.434713

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000286

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  217.9138  189.9279  239.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7576  189.0414  240.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.7951  189.4712  241.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2292  190.9140  241.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6138  188.6237  242.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4955  189.0876  243.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.1735  187.3485  242.3630 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7938  186.3929  243.2688 C   0  0  2  0  0  0  0  0  0  0  0  0
  220.5566  186.7541  244.7816 C   0  0  2  0  0  0  0  0  0  0  0  0
  221.2871  187.1574  246.1097 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.7898  186.8223  246.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6185  185.8065  245.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9895  186.0287  246.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.0644  185.2373  246.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.9321  183.9392  245.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.7754  183.0494  245.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.7007  183.7333  244.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.7699  182.8131  243.8287 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.3871  184.5053  244.9928 C   0  0  1  0  0  0  0  0  0  0  0  0
  222.5926  183.3027  245.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7950  182.6006  244.6401 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8490  183.4124  243.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5693  184.6134  243.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2774  185.7738  242.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2959  185.4211  241.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5059  184.2897  241.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1380  183.3534  242.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0335  182.6271  241.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.5903  183.4596  240.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6846  184.1899  240.2683 O   0  0  0  0  0  0  0  0  0  0  0  0
  227.2299  185.7056  246.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
  228.4234  184.9431  246.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9103  188.6476  246.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9312  185.4471  245.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  1  0  0  0
 10 11  1  0  0  0  0
 10 33  1  6  0  0  0
 11 12  2  0  0  0  0
 12 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <CHROM.1>
-176.80739128,-177.32772388,65.55317136,-176.02111012,222.27318001,185.71697231
243.75604372,-2.82807291,0.70297280,-2.89046710

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451358/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.2087

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.276471

>  <SCORE.INTRA>
-1.1913

>  <SCORE.INTRA.DIHEDRAL>
-2.37219

>  <SCORE.INTRA.DIHEDRAL.0>
3.90182

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.00520678

>  <SCORE.INTRA.VDW.0>
1.76507

>  <SCORE.INTRA.norm>
-0.0350383

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.241432

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000221

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  211.9103  190.6713  244.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.9574  191.2718  245.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5715  191.5235  246.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7482  190.3294  246.5392 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.9641  189.4049  247.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.7983  189.4262  248.4123 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.0273  188.4001  247.3041 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2725  188.6771  246.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.7366  189.8215  245.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1522  190.6676  244.4026 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.8667  189.5251  243.7657 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.8644  190.2412  242.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5514  188.4085  242.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1498  188.0789  241.8351 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5805  187.7499  243.6034 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3827  186.7591  242.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2734  186.0038  243.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0684  185.0170  243.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0157  184.8081  241.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1562  185.5774  241.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3342  186.5398  241.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1271  185.3463  239.3133 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  210.3478  186.2129  245.4829 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.9330  187.5535  247.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
  208.5744  187.7695  244.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
60.95822877,74.70795334,178.18242143,159.48946913,-132.18796846,-170.79803219
209.44957219,188.16256580,244.05532664,-1.59702226,0.73535982,-2.23896757

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451359/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.97763

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495652

>  <SCORE.INTRA>
-5.42237

>  <SCORE.INTRA.DIHEDRAL>
-2.54023

>  <SCORE.INTRA.DIHEDRAL.0>
7.05235

>  <SCORE.INTRA.POLAR>
-0.998839

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.756207

>  <SCORE.INTRA.VDW.0>
-0.849157

>  <SCORE.INTRA.norm>
-0.235755

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.259897

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000004

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  223.1402  189.1657  242.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8829  188.8853  242.8899 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.0293  188.1932  241.9924 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.4368  186.7018  241.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4332  186.0148  243.1516 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4887  185.0807  243.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6163  184.8001  242.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.5069  184.4542  244.6511 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.6146  188.3165  242.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6004  187.4941  244.4857 Hg  0  3  0  0  0  0  0  0  0  0  0  0
  222.1479  186.2412  243.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
  221.2322  184.6699  245.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.7933  183.7469  244.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  1  10   1
M  END
>  <CHROM.1>
75.93695854,57.38134653,-58.52992336,109.28134616,220.16707622,187.23376772
243.84644489,0.48803498,0.77481028,0.09796726

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451360/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.86032

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.94

>  <SCORE.INTRA>
-1.53968

>  <SCORE.INTRA.DIHEDRAL>
0.839038

>  <SCORE.INTRA.DIHEDRAL.0>
1.57741

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.9592

>  <SCORE.INTRA.VDW.0>
0.948341

>  <SCORE.INTRA.norm>
-0.153968

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.786032

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.027600

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 13  0  0  0  0  0  0  0  0999 V2000
  204.6286  206.0583  257.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7283  204.6307  257.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4502  204.0141  257.3879 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3803  202.3712  257.9255 P   0  0  0  0  0  0  0  0  0  0  0  0
  203.0467  203.0109  259.8217 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.9174  202.2663  257.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8735  201.8225  255.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4330  201.8326  255.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2947  200.3580  258.5844 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.7619  199.9281  259.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2030  200.6153  258.6292 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.0114  199.8484  256.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8126  200.6147  255.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4960  198.4022  257.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.41396372,85.82527716,91.78849812,-63.46436085,-179.47989420,-43.16109507
-56.67579201,161.00906128,204.03293579,201.79691548,257.78960030,-2.31543015
0.28435747,-3.00336664

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451361/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.957143

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.80614

>  <SCORE.INTRA.VDW.0>
-1.41869

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008250

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  194.7218  202.1123  245.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3877  201.3620  246.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9734  202.0012  247.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8948  203.3980  247.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2334  204.1457  246.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6449  203.5044  245.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1665  205.6145  246.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4698  206.2703  245.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7418  206.2995  247.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3838  205.5619  248.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4842  204.0762  248.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2623  203.4010  249.7583 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9914  206.2335  249.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9539  207.6403  249.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3099  208.3719  248.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6985  207.7020  247.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0195  208.4850  246.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.5414  208.3597  251.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.4465  205.5434  251.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.2891  207.8988  245.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.2982  207.7175  251.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.4161  205.5366  251.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7915  204.6055  251.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <CHROM.1>
-93.62482269,-1.07084835,-1.21116046,193.67767938,205.33781462,247.95013383
-0.80618959,1.24236183,-0.10586697

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451378/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.2558

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336842

>  <SCORE.INTRA>
-1.1442

>  <SCORE.INTRA.DIHEDRAL>
-0.175553

>  <SCORE.INTRA.DIHEDRAL.0>
0.780874

>  <SCORE.INTRA.POLAR>
-0.150942

>  <SCORE.INTRA.POLAR.0>
-0.26499

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.543221

>  <SCORE.INTRA.VDW.0>
0.590129

>  <SCORE.INTRA.norm>
-0.060221

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
19

>  <SCORE.norm>
0.276621

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002191

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 29  0  0  0  0  0  0  0  0999 V2000
  209.8623  187.1513  245.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2169  187.6584  245.2636 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.4575  189.0470  245.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5305  190.0880  245.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0353  191.3838  245.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3885  191.6576  245.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3297  190.6640  245.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8361  189.3700  245.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8225  187.9084  245.2517 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.3627  186.8850  245.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4052  185.6223  245.7928 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.6045  185.0967  246.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5850  185.7914  246.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.7375  183.6439  246.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8771  182.9983  247.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8487  181.6101  247.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6935  180.8527  247.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5505  181.4941  246.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5706  182.8717  246.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3215  180.7264  246.2861 N   0  3  0  0  0  0  0  0  0  0  0  0
  211.3518  179.5102  246.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.3349  181.3440  245.8644 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.3455  183.8076  247.4350 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  212.6628  192.9875  245.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3394  193.5313  244.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2981  192.5274  245.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 26  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <CHROM.1>
10.82028264,-176.45483432,212.74281348,186.31929778,245.92298169,1.73025990
-0.23112008,-0.13100795

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451379/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.935139

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-6.46486

>  <SCORE.INTRA.DIHEDRAL>
-18.0819

>  <SCORE.INTRA.DIHEDRAL.0>
19.0313

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
2.5761

>  <SCORE.INTRA.VDW.0>
-0.138008

>  <SCORE.INTRA.norm>
-0.248649

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.0359669

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000034

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 20  0  0  0  0  0  0  0  0999 V2000
  217.2044  181.9123  253.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5088  183.0825  252.5708 C   0  0  2  0  0  0  0  0  0  0  0  0
  217.6549  182.4906  251.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2718  183.4765  250.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6706  183.8222  250.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6530  184.5148  252.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7405  183.8882  253.0797 C   0  0  1  0  0  0  0  0  0  0  0  0
  218.1086  184.9001  254.0836 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.7374  185.2793  253.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.3149  184.0706  252.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4642  185.4924  254.7950 S   0  0  0  0  0  0  0  0  0  0  0  0
  214.8654  187.1304  254.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0726  187.3455  252.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7236  186.7651  252.3862 S   0  0  0  0  0  0  0  0  0  0  0  0
  218.9281  186.1036  254.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0652  186.3524  254.1741 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.2026  186.9340  255.3493 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.9078  188.1132  255.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
1.23754100,-177.45990005,217.48967279,185.25482010,253.26764328,1.25452287
-0.00398039,-2.46777981

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451380/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.37984

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411111

>  <SCORE.INTRA>
-1.02016

>  <SCORE.INTRA.DIHEDRAL>
-1.62259

>  <SCORE.INTRA.DIHEDRAL.0>
2.24537

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.208863

>  <SCORE.INTRA.VDW.0>
0.891888

>  <SCORE.INTRA.norm>
-0.0566753

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.354436

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002973

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  182.3194  211.6865  253.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7685  212.7547  254.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.0362  213.9574  254.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3702  215.0149  254.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.4426  214.8943  255.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1842  213.7162  255.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8588  212.6481  254.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6948  211.4319  254.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7105  211.3190  255.7955 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.2845  210.0972  255.6848 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.3871  209.2880  256.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5888  207.8124  256.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.7692  207.6405  255.6967 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8583  208.5540  254.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5795  210.0121  254.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8357  206.8480  256.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8079  206.0655  257.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8735  205.2332  257.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9990  205.1642  256.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0589  205.9358  255.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9910  206.7710  255.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
179.58483506,-123.27274895,5.70429133,186.35045318,209.83805809,255.51981119
2.81730507,-0.79743353,0.90314175

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451381/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.91438

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4

>  <SCORE.INTRA>
-1.48562

>  <SCORE.INTRA.DIHEDRAL>
-4.3496

>  <SCORE.INTRA.DIHEDRAL.0>
5.22916

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.689178

>  <SCORE.INTRA.VDW.0>
0.41864

>  <SCORE.INTRA.norm>
-0.070744

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.329256

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015315

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 16  0  0  0  0  0  0  0  0999 V2000
  210.5949  193.8528  248.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3923  194.6737  249.9409 N   0  3  0  0  0  0  0  0  0  0  0  0
  212.6801  194.5645  249.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4979  195.3399  250.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8778  195.4383  250.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6628  196.1383  251.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0481  196.6795  252.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6467  196.5903  252.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.8596  195.9584  252.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3655  195.8422  252.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6826  195.6930  250.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6509  197.1980  253.9519 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.7243  196.4798  254.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9550  196.2817  251.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.5560  197.5660  251.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
131.25036043,-45.69629037,213.99702667,195.90367405,251.63031320,-2.60457712
0.18037008,1.20591273

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451382/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20409

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.493333

>  <SCORE.INTRA>
-1.19591

>  <SCORE.INTRA.DIHEDRAL>
-0.664605

>  <SCORE.INTRA.DIHEDRAL.0>
5.87841

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.863605

>  <SCORE.INTRA.VDW.0>
1.2579

>  <SCORE.INTRA.norm>
-0.0797272

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
15

>  <SCORE.norm>
0.413606

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000492

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 31  0  0  0  0  0  0  0  0999 V2000
  220.3757  190.7418  244.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9239  191.6547  245.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9736  191.3679  246.2746 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6331  192.8309  245.6104 N   0  0  0  0  0  0  0  0  0  0  0  0
  220.4243  193.9167  246.5673 C   0  0  1  0  0  0  0  0  0  0  0  0
  221.5130  194.9908  246.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.8931  194.4061  246.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.5903  194.4400  247.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.1962  193.7439  245.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.4077  192.9879  245.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.4797  192.2982  244.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.8571  191.2603  244.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.3259  192.9025  243.4524 N   0  0  0  0  0  0  0  0  0  0  0  0
  224.8056  193.7322  242.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.7936  194.7843  242.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2116  196.1006  243.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3199  197.0627  243.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9863  196.7350  243.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5465  195.4509  243.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4287  194.4737  242.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8172  193.2548  242.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.8858  192.5781  241.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0547  194.5516  246.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6233  194.9636  245.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3686  195.5521  244.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5261  195.7421  246.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9387  195.3460  247.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1941  194.7566  247.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.3265  193.0030  244.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
  226.2649  192.5246  243.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  6  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
167.65887075,-51.34294634,-50.12123827,-108.13422771,-172.62262343,177.15666852
-81.66411417,-102.18303650,48.54933109,93.29743972,-59.32659857,221.55643396
193.94239348,244.86612775,3.10184930,0.44677642,-0.21739661

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451383/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
0.0657483

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.585714

>  <SCORE.INTRA>
-16.3343

>  <SCORE.INTRA.DIHEDRAL>
-13.7013

>  <SCORE.INTRA.DIHEDRAL.0>
24.0003

>  <SCORE.INTRA.POLAR>
-0.80683

>  <SCORE.INTRA.POLAR.0>
-0.45349

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.74036

>  <SCORE.INTRA.VDW.0>
-0.887422

>  <SCORE.INTRA.norm>
-0.583366

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.00234815

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000384

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  212.0030  190.3722  254.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7355  190.2771  252.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6305  191.2629  252.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0855  188.8470  252.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3085  190.4807  252.6247 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7620  191.7981  252.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2994  191.9373  252.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1460  192.1226  250.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2587  190.7979  250.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6663  190.4756  250.0329 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.7703  189.7628  253.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
  209.7356  189.6567  249.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.0933  190.2140  250.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <CHROM.1>
63.45601657,176.56088686,-74.98051224,79.68803492,-83.36637959,-172.53259665
210.30142448,190.81077539,252.12968149,0.33828077,-0.52810290,1.12742884

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451384/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.35157

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.14

>  <SCORE.INTRA>
-2.04843

>  <SCORE.INTRA.DIHEDRAL>
4.13268

>  <SCORE.INTRA.DIHEDRAL.0>
0.149027

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.714774

>  <SCORE.INTRA.VDW.0>
2.43865

>  <SCORE.INTRA.norm>
-0.204843

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
0.935157

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.059312

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 41 43  0  0  0  0  0  0  0  0999 V2000
  196.1926  208.0167  257.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7004  206.8369  256.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8958  205.5892  256.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8574  207.1584  254.6953 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.7718  208.3466  254.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3857  209.0170  253.2224 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.9386  208.7425  254.8237 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7127  208.0824  255.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2999  209.1991  256.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4799  210.3573  255.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5548  210.0561  254.5291 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.3681  210.0898  253.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5769  210.3175  253.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6391  209.9352  252.0628 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2511  209.9958  250.7427 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.6578  208.6067  250.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5272  207.9063  251.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7510  207.9131  251.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.8276  207.2775  252.2906 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.5113  206.2253  253.3794 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.6661  206.9242  253.9039 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4763  205.7360  254.2612 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0900  204.9118  252.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2436  210.6226  249.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1128  210.9680  250.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.4513  205.9503  254.0444 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.7935  205.1211  253.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6378  205.3260  252.8069 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5354  203.9111  252.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0026  203.0245  251.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7190  201.8791  251.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1859  200.9820  250.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8943  199.8362  249.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1460  199.5780  250.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6962  200.4617  251.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9956  201.6146  251.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5267  202.5087  252.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8026  203.6400  253.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6209  209.8217  252.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8154  207.3528  252.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.3852  205.7142  254.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  6  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 38  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <CHROM.1>
56.92770592,-142.42818186,110.89916575,-117.83233279,92.54592614,-53.53482699
-1.61938957,-95.87306632,51.45104552,-176.78057438,199.19176707,206.48994103
253.03076875,1.30604426,0.73799332,0.40999392

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451385/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.28037

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.405263

>  <SCORE.INTRA>
-11.1196

>  <SCORE.INTRA.DIHEDRAL>
-2.13223

>  <SCORE.INTRA.DIHEDRAL.0>
10.5011

>  <SCORE.INTRA.POLAR>
-1.10454

>  <SCORE.INTRA.POLAR.0>
-0.597853

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.29808

>  <SCORE.INTRA.VDW.0>
-2.60531

>  <SCORE.INTRA.norm>
-0.292622

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
38

>  <SCORE.norm>
0.112641

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009470

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  207.3078  205.3801  258.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1402  203.9669  257.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8984  202.9934  258.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9174  201.6620  257.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1476  201.2729  256.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3862  202.2264  256.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3876  203.5981  256.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7911  204.5477  255.6018 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.3163  204.5956  255.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8811  205.9919  254.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6166  206.3779  253.6667 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.0778  206.2344  253.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4495  204.8197  254.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0392  207.2624  252.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9475  208.5408  252.9513 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3205  209.2141  251.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1158  210.4228  251.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9139  208.3136  250.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3409  208.8001  249.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9595  208.1578  248.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3952  206.8275  248.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3244  206.1798  247.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8029  206.8441  245.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3504  208.1523  246.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4209  208.8222  247.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9842  210.1130  247.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.2911  210.7129  248.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3289  206.7011  251.2322 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 28  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
-116.76134353,75.22228384,-8.13695545,-37.96909547,204.11660201,206.45345256
252.39271018,0.10853162,-1.10567837,0.64910140

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451410/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.15396

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-7.24604

>  <SCORE.INTRA.DIHEDRAL>
-9.59487

>  <SCORE.INTRA.DIHEDRAL.0>
12.3947

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.44861

>  <SCORE.INTRA.VDW.0>
1.02467

>  <SCORE.INTRA.norm>
-0.258787

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.076927

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000352

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  202.5097  195.8555  248.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8973  196.3044  248.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2991  196.8405  247.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9647  197.2524  247.3720 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.1678  196.7195  248.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9935  196.2433  249.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5473  197.0724  246.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0703  197.6368  245.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2325  197.8858  244.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0058  198.5840  244.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2079  198.7519  242.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5923  198.1975  241.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7790  197.4889  241.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5818  197.3278  242.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5833  198.3793  240.3545 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  201.5533  199.2279  245.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3625  199.2312  245.6793 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5323  199.7646  246.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1651  199.7530  247.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0618  200.1874  248.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3275  200.6389  248.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6940  200.6756  247.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7953  200.2545  246.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
177.33272433,52.65677132,-143.93319805,-149.92136704,203.13957340,198.21811773
245.60671022,-0.80116363,0.88266219,-2.11218927

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451411/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.95548

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.408696

>  <SCORE.INTRA>
-2.44452

>  <SCORE.INTRA.DIHEDRAL>
-0.439866

>  <SCORE.INTRA.DIHEDRAL.0>
11.5965

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.22459

>  <SCORE.INTRA.VDW.0>
-1.14136

>  <SCORE.INTRA.norm>
-0.106284

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.302412

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000048

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  205.4492  187.7757  249.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3367  188.7773  249.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1886  188.6707  249.0752 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.0110  187.9046  249.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1481  186.3886  249.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4286  186.0149  247.5445 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.2467  189.2406  247.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3056  189.1156  247.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.3346  189.9474  247.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.4185  190.5387  246.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4570  191.4910  245.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4320  192.1138  244.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4373  191.8116  243.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5218  190.9090  243.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4426  190.1989  245.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3884  189.0985  245.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5794  190.7440  242.9564 N   0  3  0  0  0  0  0  0  0  0  0  0
  206.4586  191.6068  241.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.8961  191.0469  243.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5689  189.3386  242.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3360  193.1291  244.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9130  194.5087  243.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4477  192.6142  243.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <CHROM.1>
98.04484692,-83.08637777,-58.68331821,-179.13251830,59.26164318,122.02741668
3.93658839,204.10825776,189.84837290,245.97714341,-1.88358391,0.46582017
-0.74184126

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451412/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.31458

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.53913

>  <SCORE.INTRA>
-9.08542

>  <SCORE.INTRA.DIHEDRAL>
-13.1757

>  <SCORE.INTRA.DIHEDRAL.0>
20.4546

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.49758

>  <SCORE.INTRA.VDW.0>
4.24812

>  <SCORE.INTRA.norm>
-0.395018

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.144112

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003868

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 19  0  0  0  0  0  0  0  0999 V2000
  210.8583  201.2826  249.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9896  200.2979  247.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2391  200.7818  246.7525 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3920  199.8895  245.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5805  200.1367  244.4534 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6873  198.9034  243.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6139  197.8826  244.7573 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.3447  198.4913  245.9358 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.0286  197.9826  247.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8413  198.8557  248.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5396  198.1752  249.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3141  196.7165  249.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8271  196.6617  247.6561 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.2281  195.3650  247.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1586  194.9112  246.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5897  195.4928  246.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4521  194.2547  248.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
-85.99215349,211.16010843,197.95340545,246.92848759,1.51024172,1.35925368
-0.05633220

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451413/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.38141

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376471

>  <SCORE.INTRA>
-1.01859

>  <SCORE.INTRA.DIHEDRAL>
-0.820337

>  <SCORE.INTRA.DIHEDRAL.0>
2.60659

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.608425

>  <SCORE.INTRA.VDW.0>
2.66248

>  <SCORE.INTRA.norm>
-0.0599173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.316553

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003393

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 28  0  0  0  0  0  0  0  0999 V2000
  205.0975  196.8732  253.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1824  198.0574  253.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8465  199.3751  253.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0380  200.3688  252.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3855  201.6371  253.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5712  201.8679  254.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3190  200.8670  255.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8564  199.6352  254.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0054  198.5900  255.6394 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.0655  198.3549  254.4730 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2472  199.5486  254.6909 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.1285  199.8247  256.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2508  200.4844  256.5899 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2886  199.1673  256.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9380  197.3916  254.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2944  196.3490  254.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0622  195.7612  254.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4439  196.2206  252.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2678  195.6111  252.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6836  194.5433  253.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2875  194.0736  254.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4574  194.6731  254.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4360  196.2456  250.8099 Br  0  0  0  0  0  0  0  0  0  0  0  0
  203.9365  197.6348  251.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4027  199.7681  254.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  1  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
114.79706006,-0.57569107,201.42974416,197.75617139,253.54687869,0.20153087
0.62361369,1.80395288

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451414/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.87274

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.308333

>  <SCORE.INTRA>
-1.52726

>  <SCORE.INTRA.DIHEDRAL>
-3.24813

>  <SCORE.INTRA.DIHEDRAL.0>
3.32797

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0968031

>  <SCORE.INTRA.VDW.0>
-1.22106

>  <SCORE.INTRA.norm>
-0.0636358

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.244698

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000746

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  187.2308  209.3878  252.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7380  209.2224  252.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9101  210.1710  252.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5117  210.0065  252.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9659  208.8531  252.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7729  207.8936  251.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1510  208.0829  251.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5439  208.5753  252.3288 N   0  3  0  0  0  0  0  0  0  0  0  0
  181.0231  208.3962  253.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.9714  208.4576  251.2379 O   0  5  0  0  0  0  0  0  0  0  0  0
  182.3236  211.5303  253.7334 I   0  0  0  0  0  0  0  0  0  0  0  0
  185.4576  211.2859  253.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.9870  211.5150  254.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <CHROM.1>
-142.78888073,183.12269880,210.22736810,252.99724391,-0.66218676,0.09161317
0.49978030

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451416/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.10373

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.45

>  <SCORE.INTRA>
-0.296271

>  <SCORE.INTRA.DIHEDRAL>
1.58337

>  <SCORE.INTRA.DIHEDRAL.0>
0.187403

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.08796

>  <SCORE.INTRA.VDW.0>
1.28714

>  <SCORE.INTRA.norm>
-0.0246892

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.425311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000072

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  192.7585  215.0859  261.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2086  214.6860  262.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3116  214.8447  264.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9702  215.5116  263.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7091  215.3348  262.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9745  213.6735  262.4889 S   0  0  0  0  0  0  0  0  0  0  0  0
  190.2702  212.6345  261.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5502  212.6550  260.6176 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.5370  211.8079  260.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3027  211.0151  261.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2408  210.2573  260.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1425  210.4721  258.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9605  211.5795  258.5736 S   0  0  0  0  0  0  0  0  0  0  0  0
  194.1101  209.6791  258.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1018  209.2260  259.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3040  209.2716  260.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0428  211.0429  262.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7413  210.4050  263.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.9307  211.8211  262.8292 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.5320  211.7358  264.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4898  212.1084  265.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2091  212.0043  266.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9749  211.5178  266.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0314  211.1280  265.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2899  211.2187  264.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2347  210.7574  263.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.4149  210.0986  262.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
65.00032824,62.75207671,-58.62225371,-75.68769676,-120.39097415,33.00687799
191.32882490,211.99316645,262.24909267,-0.12202447,1.02133721,-0.24501774

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451417/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.0816

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-3.3184

>  <SCORE.INTRA.DIHEDRAL>
-1.83127

>  <SCORE.INTRA.DIHEDRAL.0>
15.3527

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.40276

>  <SCORE.INTRA.VDW.0>
-2.51929

>  <SCORE.INTRA.norm>
-0.122904

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.299319

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000028

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  185.2749  215.0218  259.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8043  213.6505  259.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3598  213.4886  258.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8992  212.2574  257.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.8647  211.1665  258.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2887  211.3113  259.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7589  212.5474  260.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2341  212.6012  261.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.1269  212.7695  262.7405 O   0  0  0  0  0  0  0  0  0  0  0  0
  183.4262  213.9381  262.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6083  215.0814  263.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7548  216.1724  263.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7118  216.1170  262.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5181  214.9869  261.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3924  213.9037  261.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.3895  214.8031  260.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0726  213.7778  259.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.9023  213.8537  258.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.1100  214.7781  258.8254 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.9182  212.7696  257.9883 N   0  0  0  0  0  0  0  0  0  0  0  0
  180.0453  211.9863  258.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.6436  210.9541  256.8708 S   0  0  0  0  0  0  0  0  0  0  0  0
  180.8836  212.2852  259.5412 S   0  0  0  0  0  0  0  0  0  0  0  0
  177.7827  212.5371  257.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.1319  211.1975  257.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.4225  210.9853  258.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.8554  209.7392  258.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
  175.9805  208.6955  257.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
  176.6467  208.9050  256.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
  177.2118  210.1512  256.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <CHROM.1>
99.20488997,-64.24980216,-95.93868027,-178.86179942,-118.73348602,69.58044019
181.02289817,212.66297753,259.47021204,-0.65978604,0.06370723,-2.36901354

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451466/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.88748

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-2.51252

>  <SCORE.INTRA.DIHEDRAL>
2.65612

>  <SCORE.INTRA.DIHEDRAL.0>
6.03801

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.84058

>  <SCORE.INTRA.VDW.0>
-1.78391

>  <SCORE.INTRA.norm>
-0.0837508

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.296249

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000165

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 40  0  0  0  0  0  0  0  0999 V2000
  202.1734  202.2667  250.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2391  202.4097  251.8720 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.2431  203.3534  251.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3627  203.5267  251.7163 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.6637  203.9593  250.1544 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4526  203.3820  249.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7175  203.5997  248.8909 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2621  204.9988  249.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5734  205.5935  248.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1418  206.6292  247.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4366  207.0919  247.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1312  206.4886  248.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5480  205.4775  249.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0173  208.1540  247.0518 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.3676  208.8526  246.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2410  208.6880  245.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2483  209.9562  245.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5397  209.8097  246.3341 C   0  0  2  0  0  0  0  0  0  0  0  0
  207.3175  208.5867  247.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2118  208.0737  247.8627 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8967  211.2222  247.4443 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.7025  210.9973  248.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9907  210.3008  249.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9744  210.0425  250.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6789  210.4780  250.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3798  211.1798  249.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3899  211.4342  248.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7030  210.2034  251.4758 F   0  0  0  0  0  0  0  0  0  0  0  0
  202.4983  203.1447  253.3782 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.0615  204.8085  252.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8023  205.1930  252.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5698  206.5124  252.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5981  207.4439  252.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8570  207.0829  252.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0877  205.7662  252.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3750  208.7025  251.6791 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  1  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  1  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 29 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
-66.94918330,-177.25758507,2.74692153,72.28861475,93.52630147,93.77939464
204.40367849,207.12353760,249.74887667,-2.50958274,0.92498260,0.21610878

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451467/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.59321

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.316667

>  <SCORE.INTRA>
-5.80679

>  <SCORE.INTRA.DIHEDRAL>
-4.2907

>  <SCORE.INTRA.DIHEDRAL.0>
8.37557

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.66144

>  <SCORE.INTRA.VDW.0>
-2.14935

>  <SCORE.INTRA.norm>
-0.1613

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
36

>  <SCORE.norm>
0.155367

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007969

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  227.9961  184.5491  248.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.0988  185.4509  247.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
  226.2875  184.6886  246.7422 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.7017  183.3913  246.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
  227.7452  183.2799  247.6251 N   0  0  0  0  0  0  0  0  0  0  0  0
  226.9376  186.9231  247.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
  225.4948  187.3108  248.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.9615  187.1868  249.1393 O   0  0  0  0  0  0  0  0  0  0  0  0
  224.6855  187.8420  246.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.2399  186.7666  246.0456 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.9881  185.7749  246.7106 P   0  0  0  0  0  0  0  0  0  0  0  0
  221.8843  186.5080  245.9450 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.4353  184.5269  245.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.7363  184.7832  247.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
  225.4730  185.0241  246.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.6973  183.9322  245.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.2408  184.0491  247.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
-131.75298045,79.16627976,79.11666691,71.91674168,98.09988875,-151.51746196
-52.04317444,224.83981956,185.64997178,247.10217516,0.16902003,0.28458690
-2.85747536

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451469/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.33487

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.742857

>  <SCORE.INTRA>
-8.06513

>  <SCORE.INTRA.DIHEDRAL>
-0.978391

>  <SCORE.INTRA.DIHEDRAL.0>
6.45133

>  <SCORE.INTRA.POLAR>
-1.26594

>  <SCORE.INTRA.POLAR.0>
-0.0682471

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.27173

>  <SCORE.INTRA.VDW.0>
0.34665

>  <SCORE.INTRA.norm>
-0.576081

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
14

>  <SCORE.norm>
0.166776

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002666

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  190.2463  217.9325  263.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5621  217.1760  264.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.7019  215.7952  264.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5238  215.1759  263.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2220  215.9139  262.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0632  217.3109  262.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0565  215.1920  261.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1268  213.7900  261.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8726  213.0335  260.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5761  213.6605  259.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5526  215.0456  259.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7901  215.8050  260.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2670  215.7207  258.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.0726  215.1329  257.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2676  213.9245  257.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.7308  216.1431  256.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8061  216.8860  255.5127 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.5315  217.0307  256.8416 F   0  0  0  0  0  0  0  0  0  0  0  0
  196.5032  215.5397  255.2451 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.4390  213.1031  262.2143 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.6456  213.6987  263.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0646  213.0299  264.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.1965  216.7356  258.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
  191.5017  212.0955  262.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <CHROM.1>
-0.08348290,-60.17188405,192.90312909,215.30620056,259.98235218,2.96664969
-0.91349059,3.01179647

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451470/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.7683

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.336364

>  <SCORE.INTRA>
-0.631703

>  <SCORE.INTRA.DIHEDRAL>
-1.52027e-05

>  <SCORE.INTRA.DIHEDRAL.0>
0.720239

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.631695

>  <SCORE.INTRA.VDW.0>
-0.0675182

>  <SCORE.INTRA.norm>
-0.0287138

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.30765

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008068

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  200.0005  208.4327  251.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2425  209.8250  251.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8086  209.8641  249.9938 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.7796  209.9178  248.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1308  208.5980  248.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7096  211.0332  249.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1591  210.8416  250.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2589  210.2771  251.7769 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.3786  208.9228  252.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4503  208.0649  251.1441 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4959  208.4923  253.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9752  207.2025  253.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0600  206.7426  254.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6095  207.5308  256.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1501  208.8293  255.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0681  209.3271  254.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6213  210.5785  254.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.5505  211.1257  254.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8164  207.1447  257.3796 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.7788  205.0097  255.2578 Br  0  0  0  0  0  0  0  0  0  0  0  0
  202.9556  210.8768  252.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7892  206.9207  257.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.1778  206.4326  257.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <CHROM.1>
91.30213009,-82.01329019,84.90742958,-52.96379338,92.78149524,-162.97013312
52.04524391,144.18314227,202.85713232,208.17318841,253.24162861,-3.09617058
-1.08208472,0.70474435

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451471/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.05516

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.67

>  <SCORE.INTRA>
-8.34484

>  <SCORE.INTRA.DIHEDRAL>
2.82182

>  <SCORE.INTRA.DIHEDRAL.0>
4.52152

>  <SCORE.INTRA.POLAR>
-0.652239

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.53814

>  <SCORE.INTRA.VDW.0>
6.3402

>  <SCORE.INTRA.norm>
-0.417242

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.252758

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000423

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 46 53  0  0  0  0  0  0  0  0999 V2000
  185.1501  220.9822  256.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3905  220.1340  255.8248 C   0  0  1  0  0  0  0  0  0  0  0  0
  187.2366  219.9702  257.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3108  220.6875  258.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.8832  218.7462  256.8937 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6916  218.1049  257.9376 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4243  217.0153  257.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5935  217.0777  256.8097 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5862  216.0346  256.5827 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.1317  215.2136  255.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9569  214.3613  255.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7915  215.3661  255.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1538  216.3949  256.3290 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.1217  217.9296  255.9409 C   0  0  1  0  0  0  0  0  0  0  0  0
  185.9297  218.6872  255.7783 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.6830  217.9896  254.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.6305  219.0331  258.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5358  219.8628  257.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1069  221.0718  257.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0060  221.8674  256.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3368  221.4785  256.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7627  220.2669  256.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8591  219.4514  257.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1890  220.3824  254.5527 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.2589  221.2508  254.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0790  222.4655  254.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.7504  220.5611  253.9670 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.9608  220.6199  252.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8116  219.3426  251.6922 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.7661  218.1989  252.6464 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.4641  216.7844  252.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6666  216.2696  251.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0359  215.9817  250.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2586  215.3618  250.2961 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8189  215.6474  251.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0561  215.3764  252.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2831  215.9317  253.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3263  216.8172  253.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0703  217.1335  253.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8612  216.3825  252.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9341  218.2386  253.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6559  219.2866  254.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8833  219.2913  250.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5916  217.6736  254.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
  187.3204  219.5247  254.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
  192.7392  214.9151  249.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 27 25  1  6  0  0  0
 27 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 43  1  0  0  0  0
 30 41  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 40  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 46  1  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
>  <CHROM.1>
90.31027953,-52.64631905,57.72923999,84.00241630,-71.74800281,100.55445097
189.65618283,218.36892475,254.78948160,2.30247932,0.53730954,0.50189934

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451473/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.76092

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.24186

>  <SCORE.INTRA>
-8.63908

>  <SCORE.INTRA.DIHEDRAL>
-0.591563

>  <SCORE.INTRA.DIHEDRAL.0>
5.95189

>  <SCORE.INTRA.POLAR>
-0.192354

>  <SCORE.INTRA.POLAR.0>
-0.367742

>  <SCORE.INTRA.REPUL>
-0.30506

>  <SCORE.INTRA.REPUL.0>
0.30506

>  <SCORE.INTRA.VDW>
-6.16399

>  <SCORE.INTRA.VDW.0>
-2.78523

>  <SCORE.INTRA.norm>
-0.200909

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.0409517

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006705

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 39 45  0  0  0  0  0  0  0  0999 V2000
  221.5825  183.9894  239.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2609  184.5251  241.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5827  185.3327  241.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2245  185.6906  241.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5292  185.0652  240.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.2175  184.2274  239.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1529  185.2805  240.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4563  186.1428  241.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1387  186.8240  242.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5157  186.6227  242.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0549  187.3017  243.6701 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.6128  186.5958  244.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8495  187.3428  245.8141 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3233  186.6675  246.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.5433  185.3608  246.8858 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.2372  184.7140  245.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.8191  185.2839  244.6435 N   0  0  0  0  0  0  0  0  0  0  0  0
  221.3381  183.3240  245.7305 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2239  182.6914  244.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.3019  181.9917  243.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1763  181.3896  242.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9584  181.4337  242.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.8432  182.0643  242.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.6100  182.0594  241.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4852  182.6585  242.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5824  183.2767  243.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8069  183.3031  244.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9617  182.6977  243.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7191  187.3206  248.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.2908  188.6029  248.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.0346  189.0726  247.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.6159  190.3484  248.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4343  191.1517  249.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6732  190.6897  249.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.4733  191.4943  250.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.6977  191.0354  250.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  224.1436  189.7669  250.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.3664  188.9554  249.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1201  189.3936  249.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 30 39  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
>  <CHROM.1>
-57.21751127,-167.25978132,19.04926864,-169.79152175,114.93809731,32.39909964
220.67337567,185.94135890,244.88768789,1.92514509,0.88744606,-2.56283560

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451490/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.1111

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.292308

>  <SCORE.INTRA>
-4.2889

>  <SCORE.INTRA.DIHEDRAL>
0.926215

>  <SCORE.INTRA.DIHEDRAL.0>
8.63549

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.75201

>  <SCORE.INTRA.VDW.0>
-1.91901

>  <SCORE.INTRA.norm>
-0.109972

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
39

>  <SCORE.norm>
0.182336

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.024526

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 17  0  0  0  0  0  0  0  0999 V2000
  185.9654  206.8677  260.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8610  206.8438  259.9194 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.5327  207.2082  260.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4309  207.5104  261.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.1684  207.7671  258.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5568  207.2288  257.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.8572  208.0550  256.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7642  209.4556  256.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3559  209.9926  257.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0600  209.1610  258.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0834  210.2789  255.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4879  209.7381  254.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5644  208.3547  254.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2501  207.5208  255.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7781  210.6618  253.2703 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.4885  210.2992  251.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  3  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <CHROM.1>
106.52228773,-146.83008193,185.53345621,208.58693349,256.98580865,-2.18677028
1.04513168,-0.67037863

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451491/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.17138

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.4625

>  <SCORE.INTRA>
-0.228625

>  <SCORE.INTRA.DIHEDRAL>
1.42924

>  <SCORE.INTRA.DIHEDRAL.0>
0.720567

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.943244

>  <SCORE.INTRA.VDW.0>
2.05458

>  <SCORE.INTRA.norm>
-0.014289

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.448211

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.009726

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 31  0  0  0  0  0  0  0  0999 V2000
  182.4668  210.7331  259.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.8445  211.9747  259.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1355  211.8982  257.8946 C   0  0  1  0  0  0  0  0  0  0  0  0
  182.8024  213.1829  257.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3593  214.2980  257.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
  184.0277  212.9872  256.6506 C   0  5  0  0  0  0  0  0  0  0  0  0
  183.7754  213.3190  255.1719 C   0  5  0  0  0  0  0  0  0  0  0  0
  184.8901  212.8163  254.2353 C   0  5  0  0  0  0  0  0  0  0  0  0
  186.0026  212.0752  254.9971 C   0  5  0  0  0  0  0  0  0  0  0  0
  185.4652  210.9691  255.9384 C   0  5  0  0  0  0  0  0  0  0  0  0
  184.2309  211.4928  256.6875 C   0  5  0  0  0  0  0  0  0  0  0  0
  183.3107  210.8214  257.7392 C   0  0  1  0  0  0  0  0  0  0  0  0
  183.8044  210.7066  259.2366 C   0  0  2  0  0  0  0  0  0  0  0  0
  184.6019  209.6173  259.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6511  208.3418  259.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5738  207.3742  259.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4427  207.6577  260.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3925  208.9046  261.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4820  209.8847  261.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8263  209.5886  257.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.7857  211.7100  257.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4638  212.5377  256.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.3271  212.2769  255.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.5062  211.1868  255.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.7967  210.3706  256.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
  179.9138  210.6255  257.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4210  209.7602  256.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  6  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  6  0  0  0
 13 14  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  6   6  -1   7  -1   8  -1   9  -1  10  -1  11  -1
M  END
>  <CHROM.1>
130.43592061,60.86696291,99.31066841,183.09361088,211.05265316,257.72965769
0.84262368,0.00401303,2.25563814

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451492/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.52329

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.284615

>  <SCORE.INTRA>
-0.876709

>  <SCORE.INTRA.DIHEDRAL>
-0.739283

>  <SCORE.INTRA.DIHEDRAL.0>
2.18704

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.507068

>  <SCORE.INTRA.VDW.0>
-1.6589

>  <SCORE.INTRA.norm>
-0.0337196

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.250896

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004074

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  204.2227  205.6875  240.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3196  204.6365  240.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0095  203.3349  241.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9044  203.5154  243.3840 S   0  0  0  0  0  0  0  0  0  0  0  0
  206.7559  204.2694  244.0926 P   0  0  1  0  0  0  0  0  0  0  0  0
  206.9322  204.4628  246.0327 S   0  0  0  0  0  0  0  0  0  0  0  0
  207.9191  203.2698  243.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2806  203.6146  243.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2125  202.5893  243.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0814  205.6611  243.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.3766  206.8126  243.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2744  206.9930  244.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8349  208.2791  243.9683 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.6080  208.9286  243.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
  206.5890  208.0634  242.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6869  208.5012  241.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5394  209.2497  240.9026 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.8672  207.8821  242.1845 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.8937  207.8722  241.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0849  207.1095  241.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7373  208.9274  244.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4439  210.2644  244.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3613  210.9087  244.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5759  210.2250  245.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8699  208.9009  246.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9427  208.2473  245.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  1  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
-65.27215747,-58.91832492,-176.72449133,173.55071246,66.13807389,-179.63351042
0.36353739,179.12253753,143.82457251,160.46645767,-178.54010414,206.16541139
206.42108628,243.44442001,2.48822630,0.48216130,-0.20701412

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451493/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.8622

>  <SCORE.INTER>
16.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
11

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.630769

>  <SCORE.INTRA>
-4.5378

>  <SCORE.INTRA.DIHEDRAL>
-6.84427

>  <SCORE.INTRA.DIHEDRAL.0>
12.7838

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0.112735

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.67934

>  <SCORE.INTRA.VDW.0>
-2.73296

>  <SCORE.INTRA.norm>
-0.174531

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.456239

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000674

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  204.5346  216.3491  238.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1575  215.0316  237.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5327  214.8544  238.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1421  213.6382  237.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3953  212.5676  237.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0125  212.7479  237.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3983  213.9667  237.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9459  211.3037  236.9144 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.2662  210.9158  237.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1672  211.6616  237.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.5610  209.5875  236.6902 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.6718  208.6022  236.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3974  208.8231  234.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6074  208.7387  233.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1649  207.3209  233.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1936  209.2405  232.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9718  209.1979  236.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8726  209.4797  235.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8292  210.4398  234.7976 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7820  210.0539  233.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3450  208.8636  234.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7748  208.4849  235.4223 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.1380  210.7445  232.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9862  210.3166  231.8404 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.4345  211.8974  232.4138 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.7809  212.5719  231.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2742  210.6295  236.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
0.54161250,72.79367325,-86.37279760,62.79771397,69.04781063,31.23164062,-179.28596552
-179.84214329,208.86912248,211.01407578,235.34785659,-2.67694673,-0.71385289
3.02976860

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451494/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.1222

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.515385

>  <SCORE.INTRA>
-2.27781

>  <SCORE.INTRA.DIHEDRAL>
0.439258

>  <SCORE.INTRA.DIHEDRAL.0>
3.54369

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.49744

>  <SCORE.INTRA.VDW.0>
0.462833

>  <SCORE.INTRA.norm>
-0.087608

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.427777

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000032

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 30  0  0  0  0  0  0  0  0999 V2000
  203.4509  204.0983  250.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3267  202.5995  250.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0897  201.9964  249.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3105  201.9125  251.3475 C   0  0  1  0  0  0  0  0  0  0  0  0
  200.8996  202.1273  250.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7885  201.0762  249.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7736  199.9232  250.0694 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.4009  200.3458  251.4545 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8361  199.7436  251.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2327  198.6250  250.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9131  198.7284  249.2875 C   0  0  2  0  0  0  0  0  0  0  0  0
  202.7346  199.6502  248.9102 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.9831  199.3715  247.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7437  198.4958  246.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0180  197.1701  247.3273 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.9868  197.3082  248.5396 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.4547  197.1565  248.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7239  195.8588  247.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8203  195.6731  246.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3627  196.0808  246.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6489  196.1252  249.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.8779  198.7608  253.5465 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.8045  199.9409  254.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8014  201.2857  253.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2387  200.9417  252.1802 S   0  0  0  0  0  0  0  0  0  0  0  0
  201.3372  199.8152  252.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  6  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  1  0  0  0
  9 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 11 10  1  1  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <CHROM.1>
74.94021158,203.51961485,199.46058876,250.21325915,1.69106541,-0.97874915
0.95656223

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451495/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.0602

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.246154

>  <SCORE.INTRA>
-0.339796

>  <SCORE.INTRA.DIHEDRAL>
0.203829

>  <SCORE.INTRA.DIHEDRAL.0>
0.592943

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.44171

>  <SCORE.INTRA.VDW.0>
-0.678547

>  <SCORE.INTRA.norm>
-0.0130691

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.233085

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003020

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  193.7986  226.7276  251.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6282  225.4651  251.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7521  224.3467  251.7415 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3272  223.1132  251.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4387  222.0595  252.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9081  220.7477  252.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2813  220.4527  252.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1604  221.5245  251.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6890  222.8411  251.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7267  219.0512  252.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9889  218.5925  252.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3407  219.2409  252.0795 C   0  0  2  0  0  0  0  0  0  0  0  0
  199.1426  218.1686  251.5036 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6657  216.9158  251.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1139  215.7987  251.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2972  217.1483  252.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6802  216.3119  253.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1351  218.3698  250.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8234  217.4070  249.9839 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.8659  217.8935  249.2105 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9074  219.2093  249.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6560  219.9394  250.1195 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.9251  220.0510  248.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9484  219.7373  253.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9031  221.0944  253.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4771  221.5672  254.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1515  220.6726  255.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1891  219.3153  255.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5837  218.8498  254.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7263  221.2075  256.9348 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9926  220.6986  257.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4407  222.8944  255.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1439  223.4884  255.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6909  218.1448  252.4526 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.0660  217.2526  252.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <CHROM.1>
-179.73477379,164.70318481,-178.43269538,179.19474333,-101.03535336,-176.57884712
55.70802387,-141.23771842,198.14463562,220.28318633,252.50222098,2.58033483
-0.49279326,0.81831583

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451496/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.24139

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-5.15861

>  <SCORE.INTRA.DIHEDRAL>
-6.54319

>  <SCORE.INTRA.DIHEDRAL.0>
13.7125

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.88702

>  <SCORE.INTRA.VDW.0>
2.83472

>  <SCORE.INTRA.norm>
-0.151724

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.212982

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 26  0  0  0  0  0  0  0  0999 V2000
  203.7992  220.8496  251.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9170  220.0101  252.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9588  219.0193  252.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8648  218.8555  251.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7627  219.7086  250.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7201  220.7032  250.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9073  217.7052  252.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3255  217.1381  251.0215 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0030  216.5765  249.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1346  216.1416  249.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8797  216.4844  249.5029 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9995  217.0766  250.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6998  217.6809  251.6321 S   0  0  0  0  0  0  0  0  0  0  0  0
  196.2280  217.0981  250.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8537  215.6293  250.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9834  214.7102  250.8020 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.4178  216.4720  249.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1247  216.0132  248.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5022  216.1325  249.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5613  216.6683  250.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3117  216.8685  250.7743 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1268  217.0845  251.2064 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.5139  214.6999  251.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.6141  215.0882  250.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <CHROM.1>
-146.98226498,59.09417425,-174.19111658,-172.88549927,80.30656885,-50.56229253
83.31908488,201.89026132,217.38919893,250.88983570,0.13211595,0.03483173
0.49124677

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451497/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.8139

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.563636

>  <SCORE.INTRA>
-4.5861

>  <SCORE.INTRA.DIHEDRAL>
-0.914145

>  <SCORE.INTRA.DIHEDRAL.0>
5.978

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.729028

>  <SCORE.INTRA.VDW.0>
-3.41425

>  <SCORE.INTRA.norm>
-0.208459

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.355177

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000043

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  195.8293  200.5390  249.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7465  201.1417  250.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1493  202.4276  250.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4451  203.4472  250.8250 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1427  202.2231  248.8760 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2430  201.2377  248.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7616  201.0016  247.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5850  203.2011  247.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4863  202.6568  246.7616 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8093  201.9887  247.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6631  200.9371  248.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.1077  199.6905  247.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9861  199.0472  249.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3815  197.7718  249.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9194  197.1841  248.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0602  197.8284  246.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6591  199.0911  246.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0678  195.4956  248.1289 Br  0  0  0  0  0  0  0  0  0  0  0  0
  199.5225  199.9186  250.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0202  201.0484  249.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6958  202.0620  250.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7485  201.9817  251.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1901  200.8970  252.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6165  199.8373  251.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1729  200.8701  254.1755 Br  0  0  0  0  0  0  0  0  0  0  0  0
  197.7201  201.7851  245.9191 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2871  201.4856  245.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
135.26136098,-59.04834436,52.75410157,177.07730006,71.07489573,198.43187001
199.96857148,249.68140296,2.72200610,1.17695433,2.90878549

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451498/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.93007

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-3.46993

>  <SCORE.INTRA.DIHEDRAL>
0.551501

>  <SCORE.INTRA.DIHEDRAL.0>
3.75149

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.74568

>  <SCORE.INTRA.VDW.0>
-3.4238

>  <SCORE.INTRA.norm>
-0.133459

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.22808

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001156

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 56 60  0  0  0  0  0  0  0  0999 V2000
  208.8139  199.5170  238.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6629  198.0079  237.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5929  197.2215  238.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4508  195.8338  238.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3973  195.1988  238.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4572  195.9570  237.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5999  197.3566  237.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6164  198.0562  236.6690 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2668  195.2564  236.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2187  194.8645  237.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1730  193.5280  238.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2569  193.1407  239.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3922  194.0686  239.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4141  195.4062  239.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3200  195.7874  238.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2807  197.0991  237.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.5183  196.4138  240.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2750  197.2667  241.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7454  198.5655  240.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5265  199.2803  241.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8444  198.6715  242.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3742  197.3879  243.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5908  196.6918  242.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.7368  196.6425  244.7558 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.8168  197.1941  245.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8733  195.2182  244.5339 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1757  197.2460  245.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.0890  200.6541  241.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5467  200.6163  240.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9736  200.1963  239.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3402  200.0906  239.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2928  200.4556  240.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8804  200.9044  241.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5236  200.9809  241.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0877  201.3754  242.7803 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.4924  202.3750  243.6409 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.6797  200.1637  243.3023 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2006  202.1581  241.9127 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.0839  199.8730  238.6801 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.5067  199.1884  239.5541 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2319  191.4612  239.7438 S   0  0  0  0  0  0  0  0  0  0  0  0
  202.8975  191.1854  240.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8699  190.6551  238.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.1657  191.4748  241.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5782  194.8490  239.6729 S   0  0  0  0  0  0  0  0  0  0  0  0
  209.8040  193.9119  240.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6410  194.4242  238.7901 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.1858  195.9032  240.7337 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4873  198.9134  237.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.9622  197.2426  237.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.8135  196.9676  244.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.7693  202.9256  241.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.1720  199.9709  239.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.4636  198.5103  238.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.7835  192.1154  241.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.4509  196.2236  241.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 39  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 38 52  1  0  0  0  0
 39 53  1  0  0  0  0
 40 54  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
 44 55  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 48 56  1  0  0  0  0
M  END
>  <CHROM.1>
133.04500042,-31.20215906,-153.90043718,-1.05943009,-31.37572159,79.49446038
-61.32669709,-1.07305877,151.52700556,59.75654087,58.75052199,62.93873920
206.65783150,196.95137074,240.53648687,-0.94918204,-0.51324091,-2.52713809

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451499/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.69106

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.195833

>  <SCORE.INTRA>
-3.70894

>  <SCORE.INTRA.DIHEDRAL>
-1.97778

>  <SCORE.INTRA.DIHEDRAL.0>
9.57078

>  <SCORE.INTRA.POLAR>
-0.544533

>  <SCORE.INTRA.POLAR.0>
-2.94032

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.868638

>  <SCORE.INTRA.VDW.0>
-1.13365

>  <SCORE.INTRA.norm>
-0.0772695

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
48

>  <SCORE.norm>
0.118564

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010478

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  202.7092  203.2090  243.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7498  204.1351  243.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9947  205.4992  242.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0537  206.3982  242.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7722  205.9316  242.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7776  206.5921  241.8014 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6814  204.5676  241.9844 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.5501  203.6532  242.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2173  202.4657  242.5319 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.6741  207.6350  242.6251 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.9625  207.4006  243.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1475  206.1090  243.3414 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.9244  208.3783  243.2790 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.2829  208.8429  244.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1642  210.3731  244.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4087  211.0982  244.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7949  210.7637  242.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1871  209.3006  242.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0185  208.3336  242.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2196  208.9182  242.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6720  208.9242  240.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6673  208.5424  239.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9785  207.0608  239.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0288  206.1030  239.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3369  204.7435  239.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5909  204.3180  239.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5340  205.2529  240.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2313  206.6175  240.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7881  204.2073  241.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-43.95583062,108.61309805,-63.50689051,70.89902705,73.00838401,202.36227564
206.83260907,242.06330563,-2.67504988,-0.85962037,-0.66442520

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451500/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.96765

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.371429

>  <SCORE.INTRA>
-7.43235

>  <SCORE.INTRA.DIHEDRAL>
-0.872289

>  <SCORE.INTRA.DIHEDRAL.0>
4.5574

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.9962

>  <SCORE.INTRA.VDW.0>
-0.432897

>  <SCORE.INTRA.norm>
-0.265441

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.105988

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002383

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 24 25  0  0  0  0  0  0  0  0999 V2000
  183.5509  222.1180  257.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7435  221.7071  256.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5583  220.5396  257.2616 C   0  0  1  0  0  0  0  0  0  0  0  0
  186.6535  220.1028  256.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1868  220.8647  258.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9823  222.0041  258.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5769  222.2855  259.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3914  221.4391  261.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6219  220.2835  260.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0086  220.0086  259.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9730  221.6889  262.3521 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6702  222.8326  262.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7574  223.8204  261.9767 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2766  222.8370  264.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3275  221.8777  265.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.1660  222.3986  266.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6000  223.6218  265.7006 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.0652  223.8679  264.4828 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.2712  225.1813  263.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5462  225.2870  263.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7054  220.6021  265.0271 N   0  3  0  0  0  0  0  0  0  0  0  0
  187.4801  220.5884  264.8460 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.4328  219.6296  265.2377 O   0  5  0  0  0  0  0  0  0  0  0  0
  187.7686  221.0051  263.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <CHROM.1>
174.59709612,-52.88674889,6.47206559,1.96131033,-97.88755816,187.99280368
221.98617116,261.81577872,-2.61065345,0.93680436,2.26782214

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451503/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.99063

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.452174

>  <SCORE.INTRA>
-1.40937

>  <SCORE.INTRA.DIHEDRAL>
-3.76542

>  <SCORE.INTRA.DIHEDRAL.0>
6.77991

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.47334

>  <SCORE.INTRA.VDW.0>
-1.09363

>  <SCORE.INTRA.norm>
-0.0612769

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.390897

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000109

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 20  0  0  0  0  0  0  0  0999 V2000
  198.7626  207.1973  254.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4885  208.5491  255.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1369  209.5016  254.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5173  208.8690  252.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0559  207.6258  253.1233 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3294  209.4770  251.3610 S   0  0  0  0  0  0  0  0  0  0  0  0
  199.8314  208.8315  250.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0419  209.6858  250.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4443  209.4822  252.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4891  210.5194  252.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8239  210.4192  254.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2960  210.6103  255.3300 S   0  0  0  0  0  0  0  0  0  0  0  0
  200.6540  212.0872  254.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3703  213.0511  254.1910 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.3382  214.0521  253.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9912  213.3162  253.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2969  212.2339  254.6975 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9081  206.9813  252.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.7654  211.3756  254.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <CHROM.1>
145.29426749,-77.68473181,70.64554950,-169.96719753,175.12889799,-57.13883156
-52.68534046,-28.20041974,200.01757939,210.27608456,253.43589469,2.45718658
-0.99196581,-1.87674956

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451504/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.42028

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.788235

>  <SCORE.INTRA>
-3.97972

>  <SCORE.INTRA.DIHEDRAL>
3.82353

>  <SCORE.INTRA.DIHEDRAL.0>
0.0351321

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.49149

>  <SCORE.INTRA.VDW.0>
-0.858045

>  <SCORE.INTRA.norm>
-0.234101

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.554134

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000559

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 29  0  0  0  0  0  0  0  0999 V2000
  218.0834  193.0501  251.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9653  192.2343  252.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3320  191.0354  251.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6339  190.6226  252.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1419  189.4247  251.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3407  188.6174  250.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.0367  189.0105  250.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5346  190.2210  250.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2249  188.1062  249.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9557  188.3475  249.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2312  187.3623  248.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7302  186.3076  247.9598 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9500  187.7513  248.0334 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0547  186.9449  247.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.1816  187.1248  245.6770 C   0  0  1  0  0  0  0  0  0  0  0  0
  215.5921  186.8125  245.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4663  187.8616  244.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7432  187.5939  244.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.1423  186.2747  244.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.2999  185.2214  244.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0370  185.4887  245.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3660  185.9675  243.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.2136  186.2472  245.0610 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0540  186.4730  243.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4372  191.3990  252.7953 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.5980  188.6380  248.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
  219.8408  186.7954  243.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
  220.8947  192.1824  253.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <CHROM.1>
146.08154658,-0.51713751,178.50938246,1.56847191,-84.64924552,58.26613796
-103.44556218,169.75158079,0.48589616,217.40933802,188.24556849,248.01060306
1.09092620,-0.05240339,0.96520234

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451522/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.81581

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.496

>  <SCORE.INTRA>
-2.58419

>  <SCORE.INTRA.DIHEDRAL>
-2.1488

>  <SCORE.INTRA.DIHEDRAL.0>
6.05337

>  <SCORE.INTRA.POLAR>
0.000120968

>  <SCORE.INTRA.POLAR.0>
-0.340567

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.51021

>  <SCORE.INTRA.VDW.0>
1.2132

>  <SCORE.INTRA.norm>
-0.103368

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.392632

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004045

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 39  0  0  0  0  0  0  0  0999 V2000
  186.4209  212.0442  257.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5078  211.3306  258.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4943  209.9761  258.6735 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.6417  209.6362  259.3663 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.2447  210.7706  259.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6112  211.8207  259.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2195  213.0588  259.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3994  212.8389  260.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4812  211.1897  260.8450 S   0  0  0  0  0  0  0  0  0  0  0  0
  191.5421  213.6661  260.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3808  213.3836  261.5435 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.4348  214.2563  261.4986 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.2090  215.0784  260.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0084  214.7802  259.9042 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.4317  215.4342  258.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8204  214.8444  257.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.4858  213.3712  257.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.3255  213.0110  256.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.9746  211.6641  256.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7699  210.6683  256.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9294  211.0057  257.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2845  212.3445  257.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2492  216.3770  260.0331 S   0  0  0  0  0  0  0  0  0  0  0  0
  195.7520  215.9928  260.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5385  214.8261  260.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6335  214.8975  259.8465 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9250  213.6078  260.5435 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0725  208.2901  259.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3168  207.2409  258.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6899  205.9183  259.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8249  205.6382  260.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6173  206.6762  260.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2509  207.9941  260.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0131  213.4890  260.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.3840  212.7907  260.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 34  1  0  0  0  0
 27 35  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-1.27910973,162.00424868,12.56441291,-84.62748778,57.20248744,99.83381992
74.52736884,110.78087770,191.29862171,212.12231406,259.40905081,2.38751635
0.43110859,2.86523160

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451523/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.44956

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.406061

>  <SCORE.INTRA>
-10.9504

>  <SCORE.INTRA.DIHEDRAL>
-4.00249

>  <SCORE.INTRA.DIHEDRAL.0>
10.9448

>  <SCORE.INTRA.POLAR>
-0.95893

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.68883

>  <SCORE.INTRA.VDW.0>
-2.78635

>  <SCORE.INTRA.norm>
-0.331831

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
33

>  <SCORE.norm>
0.0742292

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000054

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 19 18  0  0  0  0  0  0  0  0999 V2000
  185.1303  223.5200  258.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8173  222.7432  257.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6052  221.8382  257.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5888  223.6752  256.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4369  222.9418  254.7159 C   0  0  1  0  0  0  0  0  0  0  0  0
  184.2251  223.9076  253.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1371  223.8815  252.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7934  224.9255  251.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.5362  225.4843  252.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
  185.5921  222.1230  254.4085 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.5240  220.7639  254.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5119  220.1591  254.8322 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.7185  220.1939  254.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.8421  218.7426  254.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9133  218.0569  253.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.2927  218.4104  253.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6179  218.2285  255.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3466  226.1602  251.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
  186.4923  222.5274  254.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
173.01949554,-179.69730900,-120.98479339,106.25404998,-120.07218427,179.72685776
179.31182498,62.98016339,184.94484883,221.73756098,254.66426796,-3.11708306
0.99330285,-1.79668567

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451524/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.6816

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.729412

>  <SCORE.INTRA>
-0.718433

>  <SCORE.INTRA.DIHEDRAL>
0.226166

>  <SCORE.INTRA.DIHEDRAL.0>
1.17013

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.831515

>  <SCORE.INTRA.VDW.0>
-0.0485088

>  <SCORE.INTRA.norm>
-0.0422607

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.687151

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004855

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 45 46  0  0  0  0  0  0  0  0999 V2000
  199.6061  210.3565  256.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6805  210.7211  255.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7855  209.5775  254.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4461  209.6488  254.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5195  208.5318  254.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6698  208.9001  253.1590 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.5327  209.2156  251.9119 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4098  208.0713  251.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7479  208.1089  251.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5675  206.9883  251.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9001  207.0457  251.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7548  205.8524  250.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4880  204.8289  250.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3427  203.6356  250.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5259  202.5824  250.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2968  201.3806  250.4281 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.3848  201.2043  251.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4201  200.1279  251.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8465  198.7119  251.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9452  197.7265  250.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0739  197.1451  249.8214 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.7584  197.5678  251.9691 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8205  196.6401  251.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4515  200.2352  250.3457 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0970  200.1277  249.3515 Si  0  0  0  0  0  0  0  0  0  0  0  0
  199.9566  201.6584  249.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2625  201.9502  250.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3545  203.0149  250.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1029  203.8032  249.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7870  203.5570  248.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7184  202.5145  248.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7778  200.1290  247.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1490  199.9686  247.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6314  199.9431  245.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7474  200.0795  244.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3900  200.2557  245.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9030  200.2784  246.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0317  198.3462  249.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8776  197.0917  249.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4826  198.2048  250.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8751  198.3777  248.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6827  209.4946  250.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7473  207.8416  252.8237 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2793  209.7493  250.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2925  208.1002  252.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  6  0  0  0
  7 42  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 25 38  1  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 42 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END
>  <CHROM.1>
121.14876166,-116.00925885,60.40258877,59.31614805,-175.60971686,-114.49410331
175.86773458,-179.47564869,162.64664134,-60.73660592,125.30002185,-174.29173977
60.21214532,-64.32726357,178.01218380,-107.24010612,179.76149874,-47.61164855
-66.38763315,11.52603689,-56.98508033,200.51416186,202.96226961,250.56539511
-2.28046212,0.55190629,-2.37253755

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451525/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
18.5194

>  <SCORE.INTER>
24.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
19

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.567442

>  <SCORE.INTRA>
-5.88056

>  <SCORE.INTRA.DIHEDRAL>
-4.29851

>  <SCORE.INTRA.DIHEDRAL.0>
8.81444

>  <SCORE.INTRA.POLAR>
-0.0105324

>  <SCORE.INTRA.POLAR.0>
-0.0747079

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.69549

>  <SCORE.INTRA.VDW.0>
-3.50728

>  <SCORE.INTRA.norm>
-0.136757

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
43

>  <SCORE.norm>
0.430685

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.035019

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 29  0  0  0  0  0  0  0  0999 V2000
  190.4097  215.3805  251.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5868  214.8156  251.2347 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.2822  215.5419  250.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0020  216.8106  250.0131 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.8595  217.8090  249.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2552  217.6698  249.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0673  218.6482  248.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4876  219.7833  248.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1087  219.9438  248.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2991  218.9627  248.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7029  221.2467  247.5364 I   0  0  0  0  0  0  0  0  0  0  0  0
  193.7761  214.7664  249.8876 S   0  0  0  0  0  0  0  0  0  0  0  0
  193.4282  214.3353  248.1561 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.7140  213.7614  247.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3102  214.9046  246.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4300  214.8683  246.3064 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.3601  215.8822  246.6639 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.1740  215.5447  247.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0914  216.1073  247.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5840  217.0717  245.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5236  217.6393  245.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7280  218.7822  244.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9822  219.3983  244.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0265  218.8680  245.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8304  217.7017  245.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8389  217.2609  246.6649 F   0  0  0  0  0  0  0  0  0  0  0  0
  191.0721  217.1585  250.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 13 12  1  1  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
106.90713386,-6.71606570,175.40324674,144.88271727,194.37106521,217.91881481
247.81066385,2.36638985,-0.94954889,-2.86664048

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451526/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.66701

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.361538

>  <SCORE.INTRA>
-4.73299

>  <SCORE.INTRA.DIHEDRAL>
-9.36045

>  <SCORE.INTRA.DIHEDRAL.0>
17.8879

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0527654

>  <SCORE.INTRA.VDW.0>
-5.74118

>  <SCORE.INTRA.norm>
-0.182038

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.1795

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000033

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 19  0  0  0  0  0  0  0  0999 V2000
  197.5194  204.5054  256.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6974  203.2272  255.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4615  203.4043  253.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6072  202.0824  253.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3635  202.1840  251.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5167  200.8684  251.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2728  201.1392  249.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4732  199.8863  248.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2358  200.2572  247.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4658  199.0486  246.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2309  199.4749  245.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4726  198.2864  244.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2367  198.7266  243.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4750  197.5352  242.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.2385  197.9618  240.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4711  196.7604  240.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2352  197.1791  238.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4666  196.0095  237.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4877  195.3467  237.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5337  195.6711  236.9529 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1  20  -1
M  END
>  <CHROM.1>
179.98904955,-179.95539426,-179.88353605,179.24858821,-179.81840203,-179.83734162
-179.91741836,-179.90123680,-179.93966887,-179.97387382,-179.96646461,-179.97699822
179.96681106,-179.97593795,-179.89669864,-91.60832436,201.83317767,199.46503155
246.05489696,-2.34144709,-1.00239449,-2.66263601

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451527/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
19.8806

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.07

>  <SCORE.INTRA>
-1.51937

>  <SCORE.INTRA.DIHEDRAL>
-1.70496

>  <SCORE.INTRA.DIHEDRAL.0>
3.01198

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.666889

>  <SCORE.INTRA.VDW.0>
-1.60631

>  <SCORE.INTRA.norm>
-0.0759684

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.994032

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.019690

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  188.1334  201.6638  255.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6976  202.5015  256.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3951  203.7319  256.2880 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5171  204.8440  255.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8203  205.6347  257.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6817  206.0554  258.1444 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5066  204.8918  258.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2680  204.1999  257.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5743  207.1840  257.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8152  208.4787  257.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4827  209.2182  258.4422 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.5116  208.6929  256.1773 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.8317  209.8235  255.8547 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.6105  210.0781  254.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8922  211.3178  254.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6513  211.6107  252.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9748  212.7902  252.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5472  213.6696  253.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.7889  213.3811  254.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4618  212.2009  255.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.3461  214.3089  255.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9200  208.0997  255.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <CHROM.1>
75.63106043,67.16383368,83.69707494,175.94442221,179.67956785,187.87230292
208.27616536,256.02386647,0.75415851,1.15025225,-2.65328199

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451528/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.8739

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-0.526099

>  <SCORE.INTRA.DIHEDRAL>
0.452754

>  <SCORE.INTRA.DIHEDRAL.0>
1.43113

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.752476

>  <SCORE.INTRA.VDW.0>
-0.126155

>  <SCORE.INTRA.norm>
-0.0250524

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.470186

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000482

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 26  0  0  0  0  0  0  0  0999 V2000
  187.1592  212.1382  251.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.4241  211.8447  250.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.0477  210.4688  250.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3703  209.8738  249.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7044  209.3252  249.4456 C   0  0  2  0  0  0  0  0  0  0  0  0
  191.6262  210.4324  250.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6413  209.8192  251.4813 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.9860  210.0595  251.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5266  208.5008  251.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5701  207.9932  251.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5793  207.1213  251.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.3960  206.7022  249.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2892  205.9166  249.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4440  205.4710  249.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6981  205.8332  251.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7811  206.6473  251.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5646  204.5157  249.0048 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.3704  207.0805  249.2228 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.5157  207.9770  249.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6038  208.5064  248.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8129  208.5357  253.1885 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8702  209.5534  253.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.1590  208.2082  253.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  6  0  0  0
  5 20  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <CHROM.1>
133.72913309,-49.37642190,192.96856306,208.10142822,250.40161628,-2.87573985
0.58507630,-1.90579843

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451529/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.27691

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.352381

>  <SCORE.INTRA>
-2.12309

>  <SCORE.INTRA.DIHEDRAL>
-1.25132

>  <SCORE.INTRA.DIHEDRAL.0>
2.11328

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.49743

>  <SCORE.INTRA.VDW.0>
0.687293

>  <SCORE.INTRA.norm>
-0.1011

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.251281

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000090

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 22 23  0  0  0  0  0  0  0  0999 V2000
  190.8996  220.8093  257.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8500  219.9479  255.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1651  219.2512  255.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2698  219.8656  254.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4306  219.1236  254.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5187  217.7701  255.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4134  217.1527  255.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2481  217.8768  255.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5011  215.1354  256.1692 I   0  0  0  0  0  0  0  0  0  0  0  0
  193.2064  221.2370  254.6510 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.4044  221.7388  253.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3479  222.3450  253.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.9848  221.4917  252.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.1333  220.6156  251.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9792  219.3380  251.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9488  218.3330  251.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6444  217.0525  252.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3686  216.7872  252.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4045  217.7903  253.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7118  219.0639  252.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9986  215.2222  253.5799 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  193.4604  221.9138  255.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <CHROM.1>
-80.98681814,-70.19422044,104.28790535,115.03118444,-63.64993515,-70.51836691
192.54923470,217.76904571,254.61689958,-2.07654550,1.17344334,-3.07135857

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451538/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.78145

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.542857

>  <SCORE.INTRA>
-5.61855

>  <SCORE.INTRA.DIHEDRAL>
4.05334

>  <SCORE.INTRA.DIHEDRAL.0>
3.20533

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.64522

>  <SCORE.INTRA.VDW.0>
0.0526953

>  <SCORE.INTRA.norm>
-0.26755

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.275307

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000177

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 26  0  0  0  0  0  0  0  0999 V2000
  209.7118  186.2990  245.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3990  185.3728  246.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7903  185.0065  246.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4873  184.0873  247.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8868  183.7511  246.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6103  182.8951  247.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0343  182.6221  247.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8008  181.8843  248.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2711  181.7899  248.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1160  181.3880  249.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5729  181.8403  249.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.7180  183.3547  249.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.9793  184.1396  248.3911 N   0  0  0  0  0  0  0  0  0  0  0  0
  218.7693  184.6743  248.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3395  184.4896  249.8868 O   0  0  0  0  0  0  0  0  0  0  0  0
  218.1044  185.3479  247.7258 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8260  185.9589  247.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1618  185.9686  249.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8721  186.5413  249.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2924  187.1633  248.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9412  187.1549  246.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1809  186.5473  246.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2367  186.4311  250.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9524  185.7964  250.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3763  184.2851  247.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.4969  185.3363  246.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <CHROM.1>
179.50245503,-178.78116126,176.89715835,-176.92459134,174.37413727,-171.77500357
165.35853428,-156.36052341,73.75246400,-62.21130884,99.92777470,2.58321936
-123.01326727,215.82260195,184.57874470,248.21876058,2.86852877,-0.29538885
0.26493246

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451539/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
14.5654

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.766667

>  <SCORE.INTRA>
-3.83464

>  <SCORE.INTRA.DIHEDRAL>
6.70439

>  <SCORE.INTRA.DIHEDRAL.0>
2.07004

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-7.18683

>  <SCORE.INTRA.VDW.0>
2.63718

>  <SCORE.INTRA.norm>
-0.159777

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.60689

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000244

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 12  0  0  0  0  0  0  0  0999 V2000
  208.8115  208.9607  251.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4583  208.3176  251.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5342  207.3093  252.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1791  206.6500  253.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2119  205.6395  254.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5283  206.2757  255.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6242  206.1632  256.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.5293  206.9852  256.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8913  204.9231  254.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8087  203.7046  254.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.8154  205.7244  254.4959 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.6749  206.9587  255.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
  202.9485  205.2765  254.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <CHROM.1>
-179.64292734,-179.33411355,63.87141164,-104.84153965,123.95355095,4.33717463
-179.58233196,206.26583153,206.42245991,254.08497313,0.72081981,-0.69074743
-1.39260552

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451540/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.02394

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.945455

>  <SCORE.INTRA>
-3.37606

>  <SCORE.INTRA.DIHEDRAL>
-1.85111

>  <SCORE.INTRA.DIHEDRAL.0>
3.90324

>  <SCORE.INTRA.POLAR>
-0.70877

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0406877

>  <SCORE.INTRA.VDW.0>
-0.810799

>  <SCORE.INTRA.norm>
-0.306915

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.63854

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005898

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 21  0  0  0  0  0  0  0  0999 V2000
  188.2424  216.5185  257.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9237  216.2617  257.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.4343  214.8435  257.9564 N   0  3  0  0  0  0  0  0  0  0  0  0
  186.0399  214.2913  256.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4210  213.9366  258.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0116  214.3198  260.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1846  214.9587  258.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3058  213.6832  259.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0244  212.6253  259.8123 N   0  0  0  0  0  0  0  0  0  0  0  0
  185.3091  212.7324  261.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8555  213.6575  261.8141 O   0  0  0  0  0  0  0  0  0  0  0  0
  186.1704  211.8032  261.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.5478  211.9437  263.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4443  211.0502  263.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9669  210.0025  262.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.5979  209.8393  261.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6973  210.7405  260.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3066  210.6435  259.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.4880  211.5933  259.1033 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.7777  209.5826  258.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-67.43453289,53.26500751,174.61549985,61.84592330,73.93867740,186.43378155
212.83881434,259.92921380,2.69135637,1.53107530,-1.87695001

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451541/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.48496

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.52

>  <SCORE.INTRA>
-1.91504

>  <SCORE.INTRA.DIHEDRAL>
0.317142

>  <SCORE.INTRA.DIHEDRAL.0>
2.48291

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.07361

>  <SCORE.INTRA.VDW.0>
3.497

>  <SCORE.INTRA.norm>
-0.095752

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.424248

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048944

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 25 26  0  0  0  0  0  0  0  0999 V2000
  201.1881  202.7769  249.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.1928  203.7430  249.5720 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0383  204.9351  248.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1253  205.1803  248.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1598  205.8886  249.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1695  205.8904  248.3077 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8334  204.7166  248.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2196  204.4995  246.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9327  203.3516  246.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2867  202.4182  247.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9121  202.6339  248.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1859  203.7843  249.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0602  201.2063  247.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4239  201.0023  245.7953 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.1257  199.8661  245.5136 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.5459  199.6676  244.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3575  200.4605  243.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2887  198.4086  243.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7007  198.1922  242.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3369  197.0046  242.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.5578  196.0196  243.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1544  196.2174  244.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5188  197.4098  244.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3130  194.5425  242.7104 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  208.3742  199.2335  246.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
0.83983761,99.37059977,-63.29164412,146.48507698,0.45318253,-178.32378214
179.13853651,206.74988700,200.91321041,246.07264822,2.45596342,0.69697121
-0.07496476

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451542/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.7885

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.516667

>  <SCORE.INTRA>
-1.61154

>  <SCORE.INTRA.DIHEDRAL>
-1.95847

>  <SCORE.INTRA.DIHEDRAL.0>
4.95335

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.632308

>  <SCORE.INTRA.VDW.0>
2.26568

>  <SCORE.INTRA.norm>
-0.0671477

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
24

>  <SCORE.norm>
0.449519

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000369

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 65 69  0  0  0  0  0  0  0  0999 V2000
  187.3283  222.0791  261.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6529  223.3868  260.3395 C   0  0  2  0  0  0  0  0  0  0  0  0
  188.7497  223.2697  259.2593 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.4068  222.3660  258.0709 C   0  0  1  0  0  0  0  0  0  0  0  0
  188.8710  223.1711  256.9109 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.5998  224.5726  257.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.9218  224.6156  258.6633 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9909  225.7279  259.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6713  225.5946  260.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0597  224.4356  261.3148 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.9675  226.6229  261.6787 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.4025  227.8143  261.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6827  228.0848  259.9832 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.5360  227.0745  259.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.8248  227.2531  257.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.5139  228.7630  262.1825 N   0  0  0  0  0  0  0  0  0  0  0  0
  190.1078  222.9371  256.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.3248  222.9357  256.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2141  221.8806  256.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.9071  220.8829  255.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8539  221.1314  254.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0473  222.2544  255.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.5898  219.5262  255.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8980  219.4481  254.9592 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.5329  218.0412  254.9191 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.9927  218.0780  254.3875 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.6270  216.6733  254.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6313  215.8647  255.4053 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.1848  214.5706  255.2242 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.2607  213.7720  256.5376 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.2718  212.3518  255.9990 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.2767  212.4601  254.8362 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.4394  213.7857  254.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.4628  211.4014  253.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6616  211.6416  253.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2482  210.1904  252.3129 P   0  0  1  0  0  0  0  0  0  0  0  0
  199.0005  211.0567  251.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8489  209.7516  253.6582 O   0  5  0  0  0  0  0  0  0  0  0  0
  198.8347  208.7393  251.5759 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.0916  207.5368  251.9696 C   0  0  1  0  0  0  0  0  0  0  0  0
  196.5982  207.4514  251.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6070  208.0215  252.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7375  207.3382  253.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5187  206.4526  254.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8523  207.8112  254.8581 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8387  206.3033  251.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5936  206.2806  250.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.5612  205.2009  252.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6061  212.0231  255.5887 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.1430  213.9783  257.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9555  218.7968  253.1443 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4413  217.3840  256.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.6803  219.8677  253.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8869  220.9197  258.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5348  224.0835  262.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.5588  226.5548  262.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.4465  228.8760  262.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1323  229.6480  261.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9529  207.3585  255.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.9446  205.4957  252.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
  198.6374  211.1097  255.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.1312  214.9201  257.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.8632  218.8604  252.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.9628  216.5648  256.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.5090  219.7345  253.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 54  1  1  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  1  0  0  0  0
 11 56  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  1  0  0  0
 26 27  1  6  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  1  0  0  0
 29 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  1  0  0  0
 31 32  1  0  0  0  0
 31 49  1  6  0  0  0
 32 33  1  0  0  0  0
 32 34  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  6  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  6  0  0  0
 40 46  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 59  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 60  1  0  0  0  0
 49 61  1  0  0  0  0
 50 62  1  0  0  0  0
 51 63  1  0  0  0  0
 52 64  1  0  0  0  0
 53 65  1  0  0  0  0
M  CHG  1  38  -1
M  END
>  <CHROM.1>
-55.22178515,97.02777119,-85.43352766,-179.65838200,-166.53433481,-175.43063045
-175.42657843,-171.36925275,-56.02673613,178.28750177,178.41599676,175.95312543
-61.85203956,178.60261509,-70.02478631,156.54983577,156.73807893,-60.32499304
63.84740207,-89.92442036,-26.09751779,-57.78353918,-0.35804036,-179.92081815
-1.87524659,193.83773632,217.00846305,255.78732863,2.20260851,0.72442705
-0.07936621

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451543/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
1.32188

>  <SCORE.INTER>
23.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
18

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.433333

>  <SCORE.INTRA>
-22.0781

>  <SCORE.INTRA.DIHEDRAL>
-8.71322

>  <SCORE.INTRA.DIHEDRAL.0>
20.9106

>  <SCORE.INTRA.POLAR>
-3.20798

>  <SCORE.INTRA.POLAR.0>
-0.530782

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.81437

>  <SCORE.INTRA.VDW.0>
2.40833

>  <SCORE.INTRA.norm>
-0.408854

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
54

>  <SCORE.norm>
0.0244792

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.038107

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 22  0  0  0  0  0  0  0  0999 V2000
  197.9190  213.8946  252.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7400  214.8804  251.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0286  215.1293  250.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8347  216.0648  249.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.1778  216.3887  248.2077 Si  0  0  0  0  0  0  0  0  0  0  0  0
  199.5252  217.3561  246.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0116  216.9736  245.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3674  217.1632  249.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6077  216.5400  249.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3743  215.3081  250.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6679  214.5733  250.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8033  214.9342  247.6885 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4299  213.6708  246.6811 Si  0  0  0  0  0  0  0  0  0  0  0  0
  198.6564  213.1378  246.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5756  213.8849  247.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6664  214.1380  245.0948 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9885  214.3983  244.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5660  215.5687  245.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9824  215.8610  244.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3953  212.3447  246.9951 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.8027  212.0845  248.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5737  211.9220  249.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9382  211.6854  250.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-179.81321251,-178.26554337,169.40010463,-86.90257613,112.36039512,68.91108153
-62.91042956,178.50550036,-43.00941056,33.58234699,67.34826768,34.38458472
-62.80605732,179.67557467,57.92192469,-178.18120267,200.59073103,214.71337297
248.04956063,2.12275059,-0.66507695,2.13778121

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451544/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
17.3647

>  <SCORE.INTER>
21.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
16

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.930435

>  <SCORE.INTRA>
-4.0353

>  <SCORE.INTRA.DIHEDRAL>
0.251463

>  <SCORE.INTRA.DIHEDRAL.0>
4.35059

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.16103

>  <SCORE.INTRA.VDW.0>
-3.00753

>  <SCORE.INTRA.norm>
-0.175448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.754987

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.048209

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  205.5108  208.3122  252.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6419  208.1142  253.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0811  209.2042  254.2802 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6684  210.4569  253.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.5518  210.7661  252.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.1204  209.6505  251.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.6808  209.6277  251.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3440  208.6709  250.7990 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6826  208.9574  249.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.5460  210.0534  248.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2456  207.7941  248.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6200  207.9221  247.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1935  206.7513  246.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3477  205.6603  247.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.5386  207.0207  245.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.7267  209.9486  250.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.7240  211.2578  249.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3726  211.5166  248.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0191  210.4744  247.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0167  209.1717  247.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3548  208.9149  249.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4315  207.7236  251.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
  210.9255  206.2788  245.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <CHROM.1>
66.64899107,156.41587983,85.51977248,179.84448460,0.29068168,179.89764446
207.15304934,209.00951324,249.87290998,-2.39955980,0.68201104,-1.38859689

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451545/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.72785

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.495238

>  <SCORE.INTRA>
-1.67215

>  <SCORE.INTRA.DIHEDRAL>
-0.224072

>  <SCORE.INTRA.DIHEDRAL.0>
1.95402

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.56011

>  <SCORE.INTRA.VDW.0>
-0.171884

>  <SCORE.INTRA.norm>
-0.079626

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
0.415612

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008111

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 10  9  0  0  0  0  0  0  0  0999 V2000
  208.3017  202.5741  253.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5408  203.1437  252.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0400  203.3171  252.0922 C   0  0  1  0  0  0  0  0  0  0  0  0
  205.6243  204.8089  252.0058 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.0996  205.0043  251.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3126  204.3682  253.4487 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  206.1963  205.5767  253.0719 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.4473  202.5868  251.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.1656  205.5444  252.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.6494  201.6471  251.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  1  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <CHROM.1>
120.21590754,178.49501743,61.98796743,60.77120990,63.19411759,205.42276191
203.99584286,252.50890847,-0.43835409,-0.05364652,0.55985835

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451578/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.51995

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.05

>  <SCORE.INTRA>
-0.880049

>  <SCORE.INTRA.DIHEDRAL>
-0.102356

>  <SCORE.INTRA.DIHEDRAL.0>
0.51038

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.828871

>  <SCORE.INTRA.VDW.0>
-0.174819

>  <SCORE.INTRA.norm>
-0.110006

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
8

>  <SCORE.norm>
0.939994

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006915

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  197.5329  218.3155  241.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1945  218.4591  241.9568 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.1444  217.5958  243.2321 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.3141  217.9041  244.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6447  217.7104  243.4362 C   0  0  1  0  0  0  0  0  0  0  0  0
  198.7325  218.5421  242.1457 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.8749  219.9268  242.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.7042  218.0835  244.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9112  217.7997  243.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.1485  218.1096  241.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.6550  220.0518  243.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.5364  217.9123  243.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.1815  217.4848  243.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.2922  218.2631  241.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  6  0  0  0
  3  4  1  0  0  0  0
  3  9  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  1  0  0  0
  6  7  1  1  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <CHROM.1>
-175.87779728,64.31430313,177.83500410,-178.67396845,197.30447165,218.26672100
242.80827646,-2.94430382,0.22529548,1.91131672

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451579/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-1.93618

>  <SCORE.INTER>
5.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
0

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.54

>  <SCORE.INTRA>
-7.33618

>  <SCORE.INTRA.DIHEDRAL>
-12.7526

>  <SCORE.INTRA.DIHEDRAL.0>
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>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
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>  <SCORE.INTRA.REPUL>
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>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.48046

>  <SCORE.INTRA.VDW.0>
1.32698

>  <SCORE.INTRA.norm>
-0.733618

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
10

>  <SCORE.norm>
-0.193618

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003895

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  195.4002  225.3221  260.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8495  225.3628  258.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2316  225.7221  258.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.8158  225.8265  257.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1574  226.2196  257.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8828  226.3654  256.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.2639  226.1101  254.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9193  225.7063  254.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2032  225.5662  256.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2536  225.3364  253.5800 C   0  0  1  0  0  0  0  0  0  0  0  0
  197.5020  226.2519  252.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6693  225.7210  251.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7101  224.3486  251.0241 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.6894  223.4457  252.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7613  222.2406  251.8387 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.6180  223.9637  253.2862 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7358  226.4135  249.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2675  227.6974  252.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3155  228.5478  251.7923 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0872  227.9574  253.9882 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.8719  229.3395  254.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8251  229.5781  255.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7340  228.7353  256.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6701  228.9940  258.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0234  228.7653  258.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1205  229.5941  258.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1870  229.3422  256.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7962  226.4641  258.5306 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7912  223.9283  250.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.5795  223.2756  254.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.1198  226.3024  259.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  1  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <CHROM.1>
-179.22395736,178.12586524,-0.17466333,-44.65346190,-173.82187688,179.24306134
-173.89686883,-57.51962468,197.50850668,226.60237178,255.17431438,-2.22377416
1.45320577,-1.25962500

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451580/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.24958

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.442857

>  <SCORE.INTRA>
-9.15042

>  <SCORE.INTRA.DIHEDRAL>
-13.1839

>  <SCORE.INTRA.DIHEDRAL.0>
14.4346

>  <SCORE.INTRA.POLAR>
-2.39926e-05

>  <SCORE.INTRA.POLAR.0>
-0.345517

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.55839

>  <SCORE.INTRA.VDW.0>
-0.197528

>  <SCORE.INTRA.norm>
-0.326801

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.116056

>  <TransFSReceptor>
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>  <TransFSScore>
0.000720

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 42  0  0  0  0  0  0  0  0999 V2000
  193.5574  214.7575  257.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1812  215.6398  256.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9862  214.7672  255.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5092  215.5947  254.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8645  216.6613  253.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4835  217.5432  252.7396 C   0  0  2  0  0  0  0  0  0  0  0  0
  196.9541  217.1879  252.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5096  216.0780  253.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7686  215.2268  253.8625 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.8380  215.6961  252.9031 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.6290  216.4805  252.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1381  217.6321  251.6557 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.8299  218.0027  251.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6780  219.1255  251.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.9577  219.4345  250.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8913  218.5300  250.9960 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.2616  220.7026  249.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0557  221.5823  250.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.2874  221.9869  251.8338 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.5248  221.1926  252.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8456  221.3741  254.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2886  222.6286  254.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6138  222.8378  255.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4865  221.7973  256.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0424  220.5477  256.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7229  220.3324  255.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3948  218.7597  254.7983 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  195.3090  219.0290  253.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9989  219.9321  252.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7507  221.2740  252.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8190  221.7367  253.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1517  220.8601  254.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4045  219.5155  254.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5102  216.9819  254.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7397  217.7055  253.7069 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.0572  216.3395  255.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0991  216.6699  257.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  1  0  0  0
  7 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <CHROM.1>
-139.74553652,112.02034051,-65.92209783,93.43928455,-20.48453360,196.94789823
218.68513251,253.66594567,2.56296216,-0.70759736,-2.92380892

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451581/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.53539

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.281081

>  <SCORE.INTRA>
-3.86461

>  <SCORE.INTRA.DIHEDRAL>
-0.292017

>  <SCORE.INTRA.DIHEDRAL.0>
4.12504

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.7186

>  <SCORE.INTRA.VDW.0>
-2.88256

>  <SCORE.INTRA.norm>
-0.104449

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.176632

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003164

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  221.2586  188.1542  236.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.6775  186.9423  236.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.1526  186.8669  238.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8700  185.9080  238.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2793  184.7005  238.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.0318  184.5248  236.8961 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.8932  183.7909  238.8875 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.2774  182.5871  238.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9447  181.6674  239.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.2285  185.9899  240.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
  222.3269  187.1657  240.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.1651  188.2736  240.4335 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.6690  186.9751  242.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
  222.7992  188.1760  243.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4726  188.9540  243.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.1624  187.7166  244.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
  223.9565  189.0569  242.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.5954  185.1582  240.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <CHROM.1>
-119.00914240,1.32059455,178.22664881,-179.99679664,179.83650609,61.77443228
222.38082954,186.31041314,239.92167257,1.69208345,1.12960162,-2.32910007

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451582/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.88859

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.670588

>  <SCORE.INTRA>
-4.51141

>  <SCORE.INTRA.DIHEDRAL>
-9.71698

>  <SCORE.INTRA.DIHEDRAL.0>
9.83559

>  <SCORE.INTRA.POLAR>
-0.0183698

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.409541

>  <SCORE.INTRA.VDW.0>
2.45075

>  <SCORE.INTRA.norm>
-0.265377

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
0.405211

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.029825

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 37  0  0  0  0  0  0  0  0999 V2000
  187.9976  213.7545  255.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8261  213.7101  256.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.5036  213.5586  255.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.3547  213.4549  256.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0539  213.1084  255.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.0020  211.6324  255.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9737  211.2438  254.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2700  210.7175  254.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9881  210.4660  252.9326 S   0  0  0  0  0  0  0  0  0  0  0  0
  184.5918  210.9540  252.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5925  211.3535  252.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.4112  210.9344  250.2594 Br  0  0  0  0  0  0  0  0  0  0  0  0
  185.9644  210.3022  255.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.2902  210.0126  255.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4683  209.5002  257.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2830  209.4362  258.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.0271  210.0579  257.0878 S   0  0  0  0  0  0  0  0  0  0  0  0
  185.9472  209.0139  259.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.8317  209.3712  260.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9478  208.8619  261.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0891  208.1307  261.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0329  208.0244  260.2873 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.5607  207.3399  263.3090 Br  0  0  0  0  0  0  0  0  0  0  0  0
  183.6327  210.2127  259.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.6888  211.6734  260.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9262  212.3944  259.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9293  213.8463  260.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1672  214.5697  259.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1813  216.0195  260.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6867  209.1284  257.8123 N   0  0  0  0  0  0  0  0  0  0  0  0
  188.3278  210.1536  255.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.0597  209.6207  258.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.9305  208.1399  257.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.5949  209.3688  254.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.1199  210.7307  255.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
>  <CHROM.1>
177.48743656,-172.05738161,75.87870960,-68.83399686,93.87245232,-165.82520174
-90.78287843,118.39694361,157.26231072,-99.45818004,57.75869076,179.48377626
179.85867907,179.93434274,185.61365455,210.54969219,257.12268998,2.25973591
1.35188076,-1.97952466

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451583/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
15.3723

>  <SCORE.INTER>
19.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
14

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.625806

>  <SCORE.INTRA>
-4.02765

>  <SCORE.INTRA.DIHEDRAL>
-2.38238

>  <SCORE.INTRA.DIHEDRAL.0>
9.91908

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.83646

>  <SCORE.INTRA.VDW.0>
-5.18844

>  <SCORE.INTRA.norm>
-0.129924

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
31

>  <SCORE.norm>
0.495882

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000066

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  187.3004  212.7482  260.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.9196  212.3055  259.4068 Si  0  0  0  0  0  0  0  0  0  0  0  0
  184.2349  212.6676  260.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.1324  213.1358  257.9094 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.6328  213.4975  256.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.3246  213.9783  255.5672 S   0  0  0  0  0  0  0  0  0  0  0  0
  186.0486  210.6243  259.0314 N   0  0  0  0  0  0  0  0  0  0  0  0
  186.5195  209.6237  258.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.1800  208.2762  258.1242 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <CHROM.1>
56.56639977,-56.54383517,186.50153750,211.77048026,258.23870689,1.62103080
-1.12335341,2.76665902

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451584/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.0756

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.822222

>  <SCORE.INTRA>
-0.324397

>  <SCORE.INTRA.DIHEDRAL>
-0.796176

>  <SCORE.INTRA.DIHEDRAL.0>
0.811883

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.0736904

>  <SCORE.INTRA.VDW.0>
-0.919297

>  <SCORE.INTRA.norm>
-0.0360442

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.786178

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.007424

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 23  0  0  0  0  0  0  0  0999 V2000
  214.1553  183.1023  248.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.9920  183.2313  249.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6164  184.3456  249.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.4062  182.0211  249.8215 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.7697  181.5318  251.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5973  180.0304  251.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1882  179.5843  250.9040 C   0  0  2  0  0  0  0  0  0  0  0  0
  211.1172  178.0443  250.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7527  177.5267  250.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3534  178.1073  249.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4170  179.6360  249.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8231  180.1258  249.5014 C   0  0  1  0  0  0  0  0  0  0  0  0
  211.0196  181.6742  249.3961 C   0  0  2  0  0  0  0  0  0  0  0  0
  210.6457  182.1422  247.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5728  183.0361  247.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1834  183.4488  246.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.8555  182.9726  245.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.9263  182.0917  245.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3209  181.6816  246.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.2607  180.0314  251.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.2402  181.0007  251.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <CHROM.1>
101.88486686,63.46499505,-119.53059008,211.11870833,181.20477554,249.14151458
-1.43956985,0.74500952,2.35678763

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451585/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.59526

>  <SCORE.INTER>
7.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
2

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.37

>  <SCORE.INTRA>
-2.80474

>  <SCORE.INTRA.DIHEDRAL>
-0.174397

>  <SCORE.INTRA.DIHEDRAL.0>
1.39414

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.71754

>  <SCORE.INTRA.VDW.0>
0.33323

>  <SCORE.INTRA.norm>
-0.140237

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.229763

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.020357

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  192.8472  216.2169  260.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4774  216.2496  262.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.0913  215.0634  263.0585 N   0  3  0  0  0  0  0  0  0  0  0  0
  192.0278  215.1080  263.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.2275  214.2017  262.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.6022  214.9208  264.4614 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.8744  213.7807  265.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1491  214.7132  264.5085 C   0  0  1  0  0  0  0  0  0  0  0  0
  195.6802  213.6217  263.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0738  212.3879  264.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6639  211.4122  263.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8636  211.6582  261.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4698  212.8751  261.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8805  213.8508  262.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7759  215.9481  264.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7415  215.8317  264.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  6  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <CHROM.1>
-58.61024697,169.38778261,-50.26436619,-104.41662601,179.34514300,194.88563747
214.14309641,263.16788919,-2.95611468,-0.80465828,1.84277649

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451618/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.04055

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-4.35945

>  <SCORE.INTRA.DIHEDRAL>
-5.44397

>  <SCORE.INTRA.DIHEDRAL.0>
6.76782

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.63746

>  <SCORE.INTRA.VDW.0>
0.583152

>  <SCORE.INTRA.norm>
-0.335342

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.387735

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017191

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 32  0  0  0  0  0  0  0  0999 V2000
  193.3752  200.4332  284.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1706  201.4188  285.4395 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.1219  202.7461  284.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6997  202.5762  283.3028 N   0  0  2  0  0  0  0  0  0  0  0  0
  193.9133  201.6128  282.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9369  200.3093  283.1883 N   0  0  1  0  0  0  0  0  0  0  0  0
  195.3103  199.8333  283.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1244  200.7692  284.0396 N   0  0  2  0  0  0  0  0  0  0  0  0
  195.6100  200.8516  285.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0720  202.0797  283.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6402  201.5878  286.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8275  202.6380  287.6904 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.6511  203.6292  287.2095 N   0  0  0  0  0  0  0  0  0  0  0  0
  194.8158  204.6461  287.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6223  205.8139  287.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7932  206.9181  288.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5297  208.0271  287.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0927  208.0414  286.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9154  206.9396  285.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1931  205.8337  286.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8469  209.1765  286.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4602  210.0877  285.8293 N   0  0  0  0  0  0  0  0  0  0  0  0
  192.7987  200.4672  287.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0316  200.7693  288.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2016  199.8101  289.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1117  198.5292  288.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8771  198.1998  287.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7247  199.1523  287.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  1  0  0  0
  4  3  1  1  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  3  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <CHROM.1>
-155.27003514,-162.39528064,-179.81408106,179.47778058,194.66201685,202.91504937
286.12849130,-2.50420124,0.96767574,0.85641696

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451619/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.88441

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335714

>  <SCORE.INTRA>
-0.515594

>  <SCORE.INTRA.DIHEDRAL>
0.297625

>  <SCORE.INTRA.DIHEDRAL.0>
1.53126

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.664406

>  <SCORE.INTRA.VDW.0>
0.289772

>  <SCORE.INTRA.norm>
-0.0184141

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.3173

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000466

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 43 46  0  0  0  0  0  0  0  0999 V2000
  190.4580  210.2712  251.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2027  208.8667  251.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.8172  207.7299  251.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4459  206.4594  251.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6033  206.3269  252.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1458  207.4594  253.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3586  208.7124  252.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5783  207.2245  254.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3715  207.4685  255.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7291  206.7895  255.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0035  205.7501  256.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3257  205.3693  256.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3838  206.0182  256.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.1214  206.9900  255.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8035  207.3580  255.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8234  207.7671  249.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3684  206.6111  249.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8345  206.1738  249.7215 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.0789  205.2802  248.5820 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.3510  205.7865  247.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5300  205.6282  246.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.1315  206.4738  248.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.1219  206.7179  247.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.8871  203.8388  248.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1376  202.9682  248.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1920  203.2862  249.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4082  202.4566  249.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.3546  202.9728  248.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0482  202.3791  250.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2046  205.5970  251.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2854  204.9215  251.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6496  204.4879  253.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9710  204.6630  253.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8880  205.2974  252.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4971  205.7739  251.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2302  205.4199  253.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5896  206.4313  254.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4620  204.3273  254.9142 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2990  202.9897  255.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7327  204.0160  254.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.7440  203.1178  253.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6120  208.9105  249.9739 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.3605  208.7250  249.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  1  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 40  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <CHROM.1>
177.26224971,100.54269041,-54.71172363,-108.72127177,166.10164023,29.15757121
-114.46664933,62.98099088,-179.62772739,82.91373929,43.41712791,55.12499292
-78.28605914,193.20607038,205.74831523,251.97496549,2.56598816,-0.57670730
1.66154628

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451620/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.69825

>  <SCORE.INTER>
17.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
12

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.414286

>  <SCORE.INTRA>
-9.70175

>  <SCORE.INTRA.DIHEDRAL>
-1.89398

>  <SCORE.INTRA.DIHEDRAL.0>
24.3829

>  <SCORE.INTRA.POLAR>
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>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0871987

>  <SCORE.INTRA.REPUL.0>
0.0871987

>  <SCORE.INTRA.VDW>
-8.31876

>  <SCORE.INTRA.VDW.0>
1.88747

>  <SCORE.INTRA.norm>
-0.230994

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
42

>  <SCORE.norm>
0.183292

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000279

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 11 10  0  0  0  0  0  0  0  0999 V2000
  223.2890  199.3679  241.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
  222.7177  198.3160  242.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8081  198.9319  243.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.2536  197.8513  244.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.6456  197.6002  245.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.3309  197.1201  244.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7979  196.0363  244.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7770  195.2094  244.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4077  194.5804  242.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.4170  193.4793  243.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.3287  194.0191  241.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <CHROM.1>
179.58896340,102.78739106,177.48774016,-179.38554067,60.56474067,69.52660940
220.71443860,196.58938989,243.62457734,-0.35141801,-0.88769222,-1.91375995

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451621/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.14932

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.03636

>  <SCORE.INTRA>
-9.25068

>  <SCORE.INTRA.DIHEDRAL>
-18.4425

>  <SCORE.INTRA.DIHEDRAL.0>
20.2068

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0294119

>  <SCORE.INTRA.VDW.0>
0.996287

>  <SCORE.INTRA.norm>
-0.840971

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
11

>  <SCORE.norm>
0.195393

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.069399

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 31 33  0  0  0  0  0  0  0  0999 V2000
  216.7432  185.5315  249.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0998  184.9223  250.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.1122  184.5630  251.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.6485  183.9769  252.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.2529  184.7901  253.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8413  184.2406  254.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7745  182.8643  254.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0733  182.0470  253.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5067  182.5781  252.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.7354  181.6019  251.5214 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.4764  180.2259  251.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8643  179.5984  252.3546 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.9486  179.5425  250.1625 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.4199  178.0822  250.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.7073  177.7632  249.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1263  176.4377  249.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2707  175.4037  250.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0176  175.6982  250.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5974  177.0260  250.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9609  179.6679  249.0543 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5475  179.3953  249.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6594  180.6013  249.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9238  181.7826  248.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.3298  182.0776  248.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0949  180.8452  248.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0649  182.8662  248.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3568  183.1658  247.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1436  183.6041  250.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.3012  184.7634  250.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4941  185.4767  251.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0876  181.9848  250.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  1  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <CHROM.1>
-178.86356714,-86.85404652,-172.04161456,148.36107309,-125.04414020,-45.35227212
-109.88231871,178.04063961,179.84543775,215.70749356,181.45881019,250.67393083
2.18224883,-0.85836567,0.62432983

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451623/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.25198

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48

>  <SCORE.INTRA>
-8.14802

>  <SCORE.INTRA.DIHEDRAL>
-5.15694

>  <SCORE.INTRA.DIHEDRAL.0>
13.1786

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.56955

>  <SCORE.INTRA.VDW.0>
0.883783

>  <SCORE.INTRA.norm>
-0.271601

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.208399

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000428

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  194.2780  195.9545  252.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8700  197.1876  251.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3141  197.9675  252.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1565  197.5563  254.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5036  196.3276  254.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0955  195.5238  253.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6245  198.4143  255.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.9791  199.7922  255.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4909  200.5152  256.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5575  199.8665  257.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1675  198.5464  257.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7369  197.8274  256.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9485  201.9139  256.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9420  202.6598  255.3006 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5588  203.8287  255.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9278  203.8558  256.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4716  202.6449  257.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6318  204.9410  257.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9803  205.9884  256.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5790  205.9714  255.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8574  204.8975  254.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8444  207.1336  257.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2949  207.2680  258.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.1866  208.0975  256.1617 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.7832  200.4866  254.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.5530  202.2944  258.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.9446  206.5287  258.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.4237  208.6348  255.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.8339  207.7523  255.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.0211  201.4152  254.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <CHROM.1>
14.56217696,175.16926523,-0.95055315,-2.16630021,62.17642101,196.90435602
201.48424559,255.60222215,3.07452833,1.14705028,1.93852052

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451624/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.00276

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.376

>  <SCORE.INTRA>
-4.39724

>  <SCORE.INTRA.DIHEDRAL>
-5.69826

>  <SCORE.INTRA.DIHEDRAL.0>
6.57122

>  <SCORE.INTRA.POLAR>
-0.784098

>  <SCORE.INTRA.POLAR.0>
-0.215902

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.11782

>  <SCORE.INTRA.VDW.0>
-1.08543

>  <SCORE.INTRA.norm>
-0.17589

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.20011

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005808

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 18 17  0  0  0  0  0  0  0  0999 V2000
  217.1097  179.7806  247.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.5209  181.1407  247.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5108  181.9734  246.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3138  180.9927  246.7754 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.9895  180.3400  247.6772 P   0  0  0  0  0  0  0  0  0  0  0  0
  213.6993  181.7445  248.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0021  180.2208  246.1411 C   0  0  1  0  0  0  0  0  0  0  0  0
  213.0730  178.9101  245.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5597  180.5992  246.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3631  180.9131  246.6794 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.4754  181.3054  245.1859 N   0  0  0  0  0  0  0  0  0  0  0  0
  212.8078  181.6226  244.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8092  182.3340  243.9567 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6653  179.6873  248.5791 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6187  179.3087  249.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1716  178.8443  250.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5715  178.1690  250.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.4676  181.5131  245.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  3  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <CHROM.1>
68.91991478,81.79969088,91.28222695,-47.64160984,-169.92893946,80.19173292
178.33111672,213.60462047,180.46205575,247.20303154,-1.65300072,-0.13858593
-1.10087705

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451625/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
nan

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.729412

>  <SCORE.INTRA>
nan

>  <SCORE.INTRA.DIHEDRAL>
nan

>  <SCORE.INTRA.DIHEDRAL.0>
nan

>  <SCORE.INTRA.POLAR>
-0.261765

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.4235

>  <SCORE.INTRA.VDW.0>
4.4836

>  <SCORE.INTRA.norm>
nan

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
17

>  <SCORE.norm>
nan

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.018339

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  194.0967  219.1976  254.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1788  219.3465  255.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7577  218.2227  256.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2549  216.9429  255.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1767  216.7984  255.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5945  217.9267  254.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6438  215.4614  254.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.6979  215.3309  254.0663 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2603  214.2773  255.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7258  213.0177  255.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2835  211.8783  255.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3702  211.9575  256.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8778  213.2383  256.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.3407  214.4039  256.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8784  215.7630  256.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8283  215.9540  257.3807 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9140  213.3574  257.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.9284  210.6681  257.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3348  210.7985  258.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7690  210.6476  255.4221 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.9886  212.5228  258.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
  196.6749  209.9198  258.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.0320  210.7494  254.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <CHROM.1>
0.72926073,-142.48625959,-16.81061205,179.94532449,194.97781931,214.62567267
256.07658225,1.74151709,-0.72298524,-0.13040746

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451634/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.96107

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32

>  <SCORE.INTRA>
-3.43893

>  <SCORE.INTRA.DIHEDRAL>
-2.39529

>  <SCORE.INTRA.DIHEDRAL.0>
3.53041

>  <SCORE.INTRA.POLAR>
-0.464043

>  <SCORE.INTRA.POLAR.0>
-0.44631

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.66354

>  <SCORE.INTRA.VDW.0>
1.41167

>  <SCORE.INTRA.norm>
-0.171947

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.148053

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.012810

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 27  0  0  0  0  0  0  0  0999 V2000
  185.2965  216.9915  268.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.2006  216.7249  267.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.3585  217.7658  267.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3232  217.5286  266.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.1013  216.2429  265.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.9577  215.2066  266.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.9949  215.4444  267.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.9490  215.9940  265.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.0206  215.0162  265.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
  179.0323  215.3525  266.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8059  216.5047  266.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
  178.2258  214.1663  267.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  178.8296  213.5423  268.1384 O   0  0  0  0  0  0  0  0  0  0  0  0
  179.9995  212.8898  267.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.4573  212.7526  266.7477 O   0  0  0  0  0  0  0  0  0  0  0  0
  180.5886  212.3275  269.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.2725  212.9883  269.4138 S   0  0  0  0  0  0  0  0  0  0  0  0
  182.0421  214.7162  269.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.7285  215.4349  270.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.4593  216.8029  271.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.4780  217.4623  270.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.7958  216.7375  269.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.0749  215.3883  269.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.1124  218.9097  270.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.2292  217.5269  272.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
  180.2721  214.0343  265.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <CHROM.1>
-119.97202397,82.76706831,86.17134673,-67.93917083,-5.33600882,-122.47252932
70.25247603,138.22796606,181.52387281,215.45912710,268.25346701,-0.13209879
-0.88695374,-0.98092621

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451635/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.20221

>  <SCORE.INTER>
13.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
8

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.536

>  <SCORE.INTRA>
-7.19779

>  <SCORE.INTRA.DIHEDRAL>
-1.6168

>  <SCORE.INTRA.DIHEDRAL.0>
8.26719

>  <SCORE.INTRA.POLAR>
-0.057014

>  <SCORE.INTRA.POLAR.0>
-0.411044

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-6.19554

>  <SCORE.INTRA.VDW.0>
-0.869081

>  <SCORE.INTRA.norm>
-0.287912

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.248088

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001981

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  195.5688  222.0217  242.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8501  221.5514  242.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6457  221.4203  243.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.4479  220.1544  244.3704 N   0  0  0  0  0  0  0  0  0  0  0  0
  195.9239  220.0536  245.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4336  220.9986  246.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.0648  218.7289  246.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7064  218.3887  247.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1211  217.1171  247.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
  196.7282  216.7284  246.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6876  217.6423  245.6307 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5315  215.4642  246.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.8930  215.6518  247.1610 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.8937  216.0569  246.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9815  215.1091  245.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9456  215.5537  244.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0620  215.6377  248.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1399  215.3406  249.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.3726  215.9862  249.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5499  215.6900  250.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7588  216.0198  251.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8024  216.6212  250.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6050  216.9607  249.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3842  216.6824  248.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9322  215.7702  252.6274 N   0  3  0  0  0  0  0  0  0  0  0  0
  200.9621  215.3270  253.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.0365  216.0305  253.1263 O   0  5  0  0  0  0  0  0  0  0  0  0
  196.8771  219.3176  243.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <CHROM.1>
-91.45094790,175.61171558,-82.86847054,-85.12711082,-109.80782658,-167.17181945
198.80342962,217.35893538,247.64316374,2.39045107,0.69972667,-1.59541798

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451636/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.2909

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-1.10905

>  <SCORE.INTRA.DIHEDRAL>
-5.077

>  <SCORE.INTRA.DIHEDRAL.0>
10.2605

>  <SCORE.INTRA.POLAR>
-0.000721871

>  <SCORE.INTRA.POLAR.0>
-0.0750354

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.4319

>  <SCORE.INTRA.VDW.0>
-2.82327

>  <SCORE.INTRA.norm>
-0.041076

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.381146

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000191

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 37  0  0  0  0  0  0  0  0999 V2000
  189.4896  207.1993  265.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4722  208.2859  264.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3505  207.9412  262.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.3325  208.9370  261.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4603  210.2734  262.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5801  210.6244  263.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.5823  209.6348  264.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4659  211.2884  261.2263 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.2940  210.9748  259.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1516  209.7296  259.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1267  208.5968  260.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8708  207.4485  260.0155 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.8784  209.4995  258.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.8645  209.8657  257.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9386  210.3842  257.4190 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.3365  209.6685  255.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0976  210.0089  254.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6674  210.0224  253.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5737  210.4721  252.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2081  210.5943  251.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.8903  210.2920  250.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9780  209.8663  251.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.3631  209.7286  252.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.5774  210.4331  249.2804 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.9025  209.3462  248.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0794  211.0407  250.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.2089  210.2050  249.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2373  212.1660  259.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1932  212.3369  258.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.1747  213.4523  257.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1967  214.3970  257.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2390  214.2374  258.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.2603  213.1220  259.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.1768  215.7659  256.3096 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 33  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <CHROM.1>
-129.18695292,65.46696039,-1.24575230,177.33851252,176.73117510,64.81787014
131.15246780,189.44821465,210.73631356,257.00920066,-3.10601203,1.55625237
0.05965833

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451637/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.99955

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.364706

>  <SCORE.INTRA>
-3.40045

>  <SCORE.INTRA.DIHEDRAL>
1.14853

>  <SCORE.INTRA.DIHEDRAL.0>
12.2233

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.97472

>  <SCORE.INTRA.VDW.0>
2.71089

>  <SCORE.INTRA.norm>
-0.100013

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
34

>  <SCORE.norm>
0.264693

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000214

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 21 21  0  0  0  0  0  0  0  0999 V2000
  215.5197  191.2588  242.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.8907  191.2654  242.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8305  191.0904  241.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3741  190.9431  240.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0002  190.9304  240.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0726  191.0824  241.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4437  190.7062  238.4916 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  219.2247  191.0558  241.9206 N   0  0  0  0  0  0  0  0  0  0  0  0
  219.8478  191.0976  243.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.2707  191.1365  244.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
  221.3690  191.0705  243.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.9225  192.3550  242.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.4867  193.5707  243.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7902  193.4714  244.6247 F   0  0  0  0  0  0  0  0  0  0  0  0
  222.0959  194.7004  242.8609 F   0  0  0  0  0  0  0  0  0  0  0  0
  220.1565  193.8089  243.2191 F   0  0  0  0  0  0  0  0  0  0  0  0
  223.2937  192.2654  242.5046 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.5948  192.4903  241.1808 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.9175  190.8347  244.3146 F   0  0  0  0  0  0  0  0  0  0  0  0
  221.7759  190.0040  242.3222 F   0  0  0  0  0  0  0  0  0  0  0  0
  219.8182  190.8985  241.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <CHROM.1>
4.51875038,69.24628819,57.40375851,54.30832438,219.50528588,191.77235146
242.14732426,2.64583209,-0.21403900,-1.68517449

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451638/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3615

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.47

>  <SCORE.INTRA>
-3.0385

>  <SCORE.INTRA.DIHEDRAL>
-3.27433

>  <SCORE.INTRA.DIHEDRAL.0>
4.024

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.40134

>  <SCORE.INTRA.VDW.0>
-1.54113

>  <SCORE.INTRA.norm>
-0.151925

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.318075

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006563

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  195.5014  207.1667  233.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5702  206.1052  234.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3551  206.5867  235.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7546  207.0907  235.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6477  208.1750  234.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8927  207.6646  233.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4023  207.6385  236.5625 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7714  206.7347  237.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6071  205.5206  237.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3790  207.3892  238.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.7642  206.6081  239.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2670  207.2174  240.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3928  208.6024  241.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9911  209.3814  239.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5082  208.7773  238.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8885  209.2123  242.2281 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3944  208.4996  243.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4990  207.2845  243.3958 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.9064  209.2594  244.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8391  210.6472  244.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2043  211.2274  245.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6346  210.4158  246.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7321  209.0698  246.7483 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.3511  208.5254  245.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0669  213.0925  246.0482 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.9622  210.2283  242.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <CHROM.1>
70.29555327,0.49086819,177.38384122,6.28694733,4.21270852,200.10452739,209.06423888
241.11368760,2.60071447,1.09233424,-2.94969441

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451639/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.40777

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.416

>  <SCORE.INTRA>
-1.99223

>  <SCORE.INTRA.DIHEDRAL>
-6.25567

>  <SCORE.INTRA.DIHEDRAL.0>
6.91832

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.13561

>  <SCORE.INTRA.VDW.0>
0.237034

>  <SCORE.INTRA.norm>
-0.0796891

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
25

>  <SCORE.norm>
0.336311

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000401

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 36  0  0  0  0  0  0  0  0999 V2000
  199.0523  211.3832  242.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4772  210.5310  243.8769 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.6732  210.7729  244.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1591  210.0004  245.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4658  208.8244  245.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9636  207.9505  246.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.1743  208.7248  245.3986 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.6697  209.5018  244.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.5692  209.2593  243.8373 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3352  207.6300  245.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3234  210.6233  245.9122 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5299  211.6645  245.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5208  211.7653  244.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6245  212.4603  244.9707 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.4661  213.8112  245.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5984  214.7371  245.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6670  214.8619  243.5556 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.6794  215.8231  243.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0105  215.3053  243.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1937  210.2912  247.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4756  209.4851  246.7261 C   0  0  1  0  0  0  0  0  0  0  0  0
  204.1992  208.1390  246.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.5195  208.4208  244.8138 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.9928  207.3688  244.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0365  207.7405  243.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.4472  206.7885  242.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8342  205.4535  242.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7808  205.0683  243.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3601  206.0265  244.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2026  204.6145  241.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.0510  203.7145  240.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3566  210.2633  245.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5449  212.0869  245.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
  206.1671  209.7339  245.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <CHROM.1>
100.00064671,-103.04892182,-161.77376476,58.43992996,80.66395119,-57.69557110
59.54338232,176.65607289,-170.33722266,162.37758696,133.46253645,202.09916632
209.68763747,244.42273728,1.20654141,-0.01382271,0.14667462

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451640/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.70535

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.48125

>  <SCORE.INTRA>
-7.69465

>  <SCORE.INTRA.DIHEDRAL>
-0.332891

>  <SCORE.INTRA.DIHEDRAL.0>
7.93529

>  <SCORE.INTRA.POLAR>
-0.63758

>  <SCORE.INTRA.POLAR.0>
-0.107069

>  <SCORE.INTRA.REPUL>
2.68385e-05

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.36057

>  <SCORE.INTRA.VDW.0>
1.80842

>  <SCORE.INTRA.norm>
-0.240458

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.240792

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000794

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 15 14  0  0  0  0  0  0  0  0999 V2000
  206.9361  218.0799  249.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9007  217.1200  249.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6488  217.8873  248.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8993  216.4394  250.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.7688  215.4314  249.4824 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.2635  214.0414  249.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8477  213.4497  248.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.4116  211.9865  248.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7146  214.1751  247.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0489  215.7235  249.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6891  216.8359  249.2205 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.7431  214.7549  248.4676 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.1059  217.5180  249.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
  211.4608  214.6051  247.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
  212.7302  214.9676  248.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <CHROM.1>
175.57802510,-92.43919103,112.03962953,177.32107372,76.08915630,209.24130944
215.49793356,248.89071590,1.72785468,-0.05663557,0.22547054

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451641/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.97641

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.866667

>  <SCORE.INTRA>
-1.42359

>  <SCORE.INTRA.DIHEDRAL>
-1.71964

>  <SCORE.INTRA.DIHEDRAL.0>
6.05572

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.563771

>  <SCORE.INTRA.VDW.0>
-1.88808

>  <SCORE.INTRA.norm>
-0.118633

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.748034

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.015945

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 67 73  0  0  0  0  0  0  0  0999 V2000
  198.4188  222.8612  248.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0239  224.2072  247.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0156  224.4787  246.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9872  223.6299  245.5694 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.7023  222.9510  245.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5046  222.8422  243.9570 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.7092  222.3057  246.2441 C   0  0  2  0  0  0  0  0  0  0  0  0
  193.6055  221.6464  245.3509 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.4114  221.2616  246.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7992  222.6029  246.4064 C   0  0  2  0  0  0  0  0  0  0  0  0
  192.3291  223.6347  247.4319 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.0087  223.4996  247.2295 C   0  0  1  0  0  0  0  0  0  0  0  0
  194.7512  223.9257  248.6021 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.6523  225.2465  248.7116 C   0  0  2  0  0  0  0  0  0  0  0  0
  195.9944  225.8814  247.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3866  227.4133  247.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8508  226.2694  246.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.0819  225.2969  249.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3258  225.4362  248.4263 C   0  0  2  0  0  0  0  0  0  0  0  0
  198.6783  226.4564  247.2988 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.5534  226.6760  246.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6798  227.6628  245.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5995  225.5347  246.1622 C   0  0  1  0  0  0  0  0  0  0  0  0
  201.2053  225.4140  247.5583 C   0  0  1  0  0  0  0  0  0  0  0  0
  202.2257  224.2952  247.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4548  224.5146  246.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5034  223.6197  247.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3382  222.5087  247.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1197  222.2744  248.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0609  223.1510  248.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7785  226.6559  248.0228 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.0105  227.6587  248.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8568  228.7733  248.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.4047  227.2687  249.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7986  226.0683  250.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3382  225.7601  251.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4662  226.6360  252.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0448  227.8130  251.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5102  228.1318  250.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1589  224.2814  245.6051 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9094  226.0525  249.6707 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2272  222.8608  249.4456 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9779  223.0632  250.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5489  224.0946  251.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.2918  221.8703  251.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1275  221.9406  252.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5713  220.8882  253.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.1477  219.7534  253.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2693  219.6604  251.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8473  220.7232  250.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4449  221.0231  255.4701 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  190.8651  224.2680  246.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4274  222.8017  246.7951 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.9664  223.6305  248.8497 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0324  224.8665  249.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.3093  225.9112  248.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.5236  224.7321  250.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0309  220.5601  244.5428 O   0  0  0  0  0  0  0  0  0  0  0  0
  195.4565  221.1209  246.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.9503  222.5206  245.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.2850  221.8017  244.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8911  222.0349  243.3268 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3628  220.7353  244.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6752  226.9093  247.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
  199.8791  224.4635  244.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7447  225.5443  250.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
  194.7040  220.8599  243.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 19  1  0  0  0  0
  2  3  2  0  0  0  0
  3 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 60  1  1  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 59  1  1  0  0  0
  8  9  1  0  0  0  0
  8 58  1  1  0  0  0
 10  9  1  1  0  0  0
 10 53  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 11 54  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 64  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 40 65  1  0  0  0  0
 41 66  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 50  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 51  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 52 53  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 58 67  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
M  END
>  <CHROM.1>
-166.79720080,-61.33387916,-153.43184593,-137.13074870,53.57764305,-58.07404695
-173.03728601,-51.32568810,179.41149419,60.27592177,73.90703844,81.21439866
-115.71141181,8.84566004,-8.71561366,178.01839784,3.13245182,4.29554506,197.00182101
223.95940965,248.38351426,-0.17311068,0.31278016,1.60581826

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451650/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-20.3495

>  <SCORE.INTER>
20.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
15

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.32381

>  <SCORE.INTRA>
-40.7495

>  <SCORE.INTRA.DIHEDRAL>
-56.4422

>  <SCORE.INTRA.DIHEDRAL.0>
69.1764

>  <SCORE.INTRA.POLAR>
-1

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-9.12835

>  <SCORE.INTRA.VDW.0>
-2.63358

>  <SCORE.INTRA.norm>
-0.646817

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
63

>  <SCORE.norm>
-0.323007

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.209502

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 34 38  0  0  0  0  0  0  0  0999 V2000
  206.6240  208.2941  249.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1294  208.2940  249.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4899  209.3455  249.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.5493  207.0511  249.2895 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.1505  205.7189  249.4975 C   0  0  2  0  0  0  0  0  0  0  0  0
  203.9544  204.8386  249.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8389  205.5850  249.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1478  206.9192  249.3222 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4914  205.0966  248.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3766  205.7323  249.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0373  205.1186  249.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9427  203.8945  248.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7051  203.2665  248.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5442  203.8677  248.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.6232  205.1025  249.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8573  205.7369  249.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0575  205.9177  250.0349 Br  0  0  0  0  0  0  0  0  0  0  0  0
  200.1024  203.2814  247.9503 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.3579  203.7986  248.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.3280  203.2013  247.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
  200.5201  206.9914  250.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1514  208.2148  249.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3602  209.4034  250.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9367  209.3747  251.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2864  208.1574  252.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0835  206.9674  251.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6787  205.5266  250.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8924  204.8561  251.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3838  204.6769  252.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6849  205.1708  253.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4820  205.8390  253.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9827  206.0016  252.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.6313  207.5935  248.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
  200.0548  202.4046  247.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  1  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <CHROM.1>
-140.01881535,151.89825712,108.92621177,201.11933378,205.98563407,249.90877922
0.13860230,-0.08267669,0.41106456

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451651/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.03523

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.2625

>  <SCORE.INTRA>
-3.36477

>  <SCORE.INTRA.DIHEDRAL>
-7.65309

>  <SCORE.INTRA.DIHEDRAL.0>
15.2296

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.461774

>  <SCORE.INTRA.VDW.0>
-4.43874

>  <SCORE.INTRA.norm>
-0.105149

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
32

>  <SCORE.norm>
0.157351

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000037

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 31  0  0  0  0  0  0  0  0999 V2000
  213.4975  185.6241  235.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.8886  186.4520  236.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.2530  186.2429  237.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6092  186.9975  239.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6050  187.9703  239.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2178  188.2050  237.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8747  187.4391  236.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0241  188.7431  240.1154 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.5547  188.6796  241.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6641  187.9551  241.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.1799  189.5167  242.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.9668  190.6135  242.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.4998  190.7997  240.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.2622  191.5562  243.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1968  193.0013  243.3233 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.3937  193.8239  241.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1934  194.8462  241.5963 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.3563  194.9190  240.2378 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.6898  193.9531  239.6196 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.9909  193.3044  240.5840 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.0530  192.2900  240.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9750  191.7814  238.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0560  190.7684  238.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2022  190.2879  239.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.2607  190.8015  240.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1795  191.8058  241.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.0510  189.0654  239.2975 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  215.8234  189.3552  239.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.7491  189.4474  243.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
0.10302974,-95.78642075,-58.51580680,-98.11082308,-169.38033118,214.31238541
190.33731983,240.17254309,-2.99706802,1.27802686,1.99386255

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451652/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.07971

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-5.32029

>  <SCORE.INTRA.DIHEDRAL>
1.00651

>  <SCORE.INTRA.DIHEDRAL.0>
4.60102

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-5.82355

>  <SCORE.INTRA.VDW.0>
-1.30456

>  <SCORE.INTRA.norm>
-0.197048

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.188137

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000003

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 22  0  0  0  0  0  0  0  0999 V2000
  209.7168  205.9559  249.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9100  206.9588  250.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0589  206.2296  251.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4002  207.9919  249.9960 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.0008  208.8659  248.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.8045  208.5606  247.4726 N   0  0  0  0  0  0  0  0  0  0  0  0
  211.6028  209.1512  246.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6471  210.0166  246.0168 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.8692  210.3233  247.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9701  209.8188  248.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9517  210.4640  249.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1866  211.3555  248.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6126  211.4340  246.8417 S   0  0  0  0  0  0  0  0  0  0  0  0
  208.6591  210.3967  250.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6119  209.8552  251.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2958  209.6002  252.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.0421  209.9445  253.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1022  210.5294  252.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3993  210.7236  251.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7270  209.6867  254.6500 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <CHROM.1>
63.56252018,-114.58837915,15.13571477,209.52810765,209.38307206,249.71566389
-1.02899665,-0.89998226,2.06043725

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451653/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.22222

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.42

>  <SCORE.INTRA>
-1.17778

>  <SCORE.INTRA.DIHEDRAL>
-3.18014

>  <SCORE.INTRA.DIHEDRAL.0>
6.86652

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.412294

>  <SCORE.INTRA.VDW.0>
-1.96407

>  <SCORE.INTRA.norm>
-0.0588888

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
20

>  <SCORE.norm>
0.361111

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000650

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 30  0  0  0  0  0  0  0  0999 V2000
  194.5752  221.0188  259.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.2759  219.5460  259.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7908  219.2627  259.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8790  219.7258  260.0262 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.6976  218.2416  258.4510 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.8994  218.0506  257.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1500  217.1672  257.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.8025  219.0051  258.3115 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.2237  218.8731  258.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9243  217.9184  258.9072 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.9311  218.3540  259.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1926  219.5240  260.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.6502  217.2763  260.1932 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.2533  216.1464  259.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7881  215.0477  259.6193 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0376  216.4756  258.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.8534  215.6738  259.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4061  216.1124  257.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8640  217.3778  260.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5979  217.1951  262.4403 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.8453  218.2940  263.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5378  218.0420  262.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.6003  217.2980  258.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5644  217.5993  257.4301 C   0  0  1  0  0  0  0  0  0  0  0  0
  189.1452  217.9328  257.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0909  218.9593  257.5041 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.6452  218.7035  260.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 20 19  1  6  0  0  0
 20 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 24 23  1  1  0  0  0
 24 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
100.68265038,65.68196045,-117.20286592,97.61411140,-116.53630568,-117.84641856
195.47982243,217.96169923,259.38974387,2.98939479,0.35567210,-2.35737831

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451654/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.43688

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.422222

>  <SCORE.INTRA>
-1.96312

>  <SCORE.INTRA.DIHEDRAL>
-1.12374

>  <SCORE.INTRA.DIHEDRAL.0>
9.36032

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.0325926

>  <SCORE.INTRA.REPUL.0>
0.0325926

>  <SCORE.INTRA.VDW>
-1.23829

>  <SCORE.INTRA.VDW.0>
-3.7017

>  <SCORE.INTRA.norm>
-0.0727083

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.349514

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.054863

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  205.0018  205.6919  237.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2078  204.8133  238.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6876  205.2003  239.3605 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8073  203.5141  237.9949 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8816  202.4984  238.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8826  201.1953  238.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9280  200.1541  239.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9708  200.3733  240.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9394  201.6829  241.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8810  202.7476  240.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0408  199.1729  241.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0339  197.9035  241.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1147  197.0221  242.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1257  195.6268  242.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2508  195.0484  243.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3381  195.8606  244.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2942  197.2739  244.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1900  197.8143  243.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1294  199.1523  242.9593 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.3620  195.3512  246.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1223  194.2569  246.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9111  193.5989  245.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.8578  193.9900  247.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.1599  193.6493  243.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.1493  193.0884  244.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2850  193.6811  245.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.2916  191.5938  244.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9508  197.6732  239.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.9019  196.5601  239.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.9208  198.8370  238.8613 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 30  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <CHROM.1>
-178.92750496,-160.09389991,-119.15377602,44.36318015,2.76017682,-0.11825828
205.08937426,198.12410871,242.02861004,-1.62292815,1.36239100,2.58249144

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451655/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
10.8256

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.38

>  <SCORE.INTRA>
-0.574358

>  <SCORE.INTRA.DIHEDRAL>
0.553698

>  <SCORE.INTRA.DIHEDRAL.0>
5.75312

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.851207

>  <SCORE.INTRA.VDW.0>
-1.53695

>  <SCORE.INTRA.norm>
-0.0191453

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
30

>  <SCORE.norm>
0.360855

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000265

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  194.1836  218.2384  246.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5464  217.5103  245.2139 N   0  0  0  0  0  0  0  0  0  0  0  0
  193.7761  216.4866  244.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8049  216.6080  244.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.2742  215.2681  245.2013 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.5192  214.1382  244.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1487  213.1619  244.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4875  211.9774  243.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2130  211.7544  244.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5883  212.7175  245.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2307  213.9321  245.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.5327  214.8783  246.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.7482  214.7169  247.8072 N   0  3  0  0  0  0  0  0  0  0  0  0
  193.2200  214.8516  248.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9510  215.8095  248.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.2426  213.3717  248.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1568  217.9639  244.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  1  13   1
M  END
>  <CHROM.1>
84.49458118,177.20134811,118.54497374,-88.12938595,59.12121558,192.84708358
214.80325309,245.79719734,-1.19357221,-0.95966241,-2.53443957

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451656/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.85858

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.65

>  <SCORE.INTRA>
-3.54142

>  <SCORE.INTRA.DIHEDRAL>
-4.22232

>  <SCORE.INTRA.DIHEDRAL.0>
9.49018

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.43026

>  <SCORE.INTRA.VDW.0>
-0.645723

>  <SCORE.INTRA.norm>
-0.221339

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
16

>  <SCORE.norm>
0.428661

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001473

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 13 13  0  0  0  0  0  0  0  0999 V2000
  197.3401  219.3203  251.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.3601  218.2297  250.6517 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.4386  217.4004  250.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.3166  217.5534  251.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.3791  216.2798  249.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6150  215.3559  249.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1258  214.1621  250.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.7974  214.1662  250.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1759  215.3627  250.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.2899  216.8647  248.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.4157  216.6115  247.5462 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3353  217.7102  248.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.3245  218.2988  246.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <CHROM.1>
0.68073363,177.58669606,-124.60097467,179.69678658,198.37596889,216.79780388
249.70834391,1.22068192,1.37764915,-0.45478788

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451657/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
9.37355

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-0.0264483

>  <SCORE.INTRA.DIHEDRAL>
-0.0292478

>  <SCORE.INTRA.DIHEDRAL.0>
0.67414

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0118244

>  <SCORE.INTRA.VDW.0>
3.16944

>  <SCORE.INTRA.norm>
-0.00203448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.721042

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.017460

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 27  0  0  0  0  0  0  0  0999 V2000
  196.6292  206.0438  250.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8038  205.7063  249.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.8996  206.6558  248.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1372  207.9685  248.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9935  208.4219  249.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.7001  207.4233  250.8218 N   0  0  0  0  0  0  0  0  0  0  0  0
  196.8416  207.7275  252.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6948  208.6774  252.5190 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.7351  208.9718  253.8401 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.0988  208.3440  254.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.2089  207.3828  254.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.0097  207.0142  253.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0820  206.0605  253.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4330  205.2786  252.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.5736  204.3151  252.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.2375  204.0976  253.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7718  204.8208  254.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7708  205.8612  254.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.4171  206.6138  255.4369 N   0  0  0  0  0  0  0  0  0  0  0  0
  197.5563  208.8089  256.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.4982  209.6450  255.8424 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.7386  209.6763  254.4513 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.8680  210.6173  254.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
136.53824363,196.47184120,207.11099266,252.74106056,1.20133144,-0.77759129
-1.85648494

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451674/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.61581

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.290909

>  <SCORE.INTRA>
-0.784185

>  <SCORE.INTRA.DIHEDRAL>
-3.62241

>  <SCORE.INTRA.DIHEDRAL.0>
8.02532

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
1.02702

>  <SCORE.INTRA.VDW.0>
-0.847882

>  <SCORE.INTRA.norm>
-0.0356448

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.255264

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.010755

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 38  0  0  0  0  0  0  0  0999 V2000
  209.5279  208.8925  255.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.2681  208.0413  253.9479 N   0  0  0  0  0  0  0  0  0  0  0  0
  207.9688  208.0806  253.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7154  208.9790  252.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.4350  209.0840  251.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3990  208.2880  252.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.6198  207.3708  253.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9255  207.2595  253.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5751  206.5495  253.8308 N   0  0  0  0  0  0  0  0  0  0  0  0
  203.2191  206.6640  253.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.7181  207.5709  252.8479 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.3148  205.5594  254.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.4262  204.3159  253.2785 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.4365  204.0172  252.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.7731  202.7925  252.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8326  202.4087  251.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5393  203.2647  250.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1728  204.5053  250.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.1251  204.8832  251.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.3966  202.7847  249.1636 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  203.9427  203.5574  253.1714 S   0  0  0  0  0  0  0  0  0  0  0  0
  204.6103  203.7432  254.4419 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.7566  202.2241  252.6373 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8603  204.4861  251.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2571  204.4749  251.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9592  205.2195  251.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2843  205.9286  250.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8917  205.8723  249.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1790  205.1436  250.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.0888  206.6731  249.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.4880  207.7839  248.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6032  207.5230  253.0558 S   0  0  0  0  0  0  0  0  0  0  0  0
  210.8549  208.5093  252.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.6595  207.1326  253.9768 O   0  0  0  0  0  0  0  0  0  0  0  0
  210.0416  206.0452  252.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.8354  205.8780  254.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <CHROM.1>
91.10324330,-90.20518311,-8.17556397,-77.60750077,-98.80688625,-124.61413617
35.22407731,155.92993514,-155.86833773,205.06391086,205.74920450,252.12964596
0.06747408,0.47496278,1.83668868

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451675/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.03725

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411429

>  <SCORE.INTRA>
-6.36275

>  <SCORE.INTRA.DIHEDRAL>
-0.980247

>  <SCORE.INTRA.DIHEDRAL.0>
7.27132

>  <SCORE.INTRA.POLAR>
-0.30069

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.85028

>  <SCORE.INTRA.VDW.0>
-2.97189

>  <SCORE.INTRA.norm>
-0.181793

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.229636

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000269

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 24  0  0  0  0  0  0  0  0999 V2000
  196.1908  214.0367  244.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1396  213.5899  245.8756 N   0  3  0  0  0  0  0  0  0  0  0  0
  195.5895  213.8577  246.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.8712  214.3805  245.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9421  212.1019  245.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.6705  211.3314  247.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.0772  210.0504  247.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.7256  209.2652  248.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9056  209.7567  249.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5321  210.9955  249.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.9510  211.7740  248.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.7732  212.8601  248.6353 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0455  212.7697  249.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5831  211.3603  251.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5970  210.4450  251.9017 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.5284  212.7549  251.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.1203  213.8097  250.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.8275  215.0486  251.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9568  215.2319  252.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.4309  214.1960  253.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.7424  212.9603  252.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9144  209.6384  245.7124 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.4386  208.3581  245.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  1   2   1
M  END
>  <CHROM.1>
141.68584022,159.96782226,127.33210068,27.71407932,-116.83826887,14.91443358
194.66613706,212.12205128,248.86178441,-1.40686051,1.38927167,1.02802830

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451676/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.39653

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.518182

>  <SCORE.INTRA>
-8.00347

>  <SCORE.INTRA.DIHEDRAL>
-2.91387

>  <SCORE.INTRA.DIHEDRAL.0>
15.2202

>  <SCORE.INTRA.POLAR>
-0.969593

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.24992

>  <SCORE.INTRA.VDW.0>
1.91025

>  <SCORE.INTRA.norm>
-0.363794

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.154388

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.008212

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 36 39  0  0  0  0  0  0  0  0999 V2000
  213.6644  184.0243  244.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.4598  184.0407  245.7842 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.7239  185.0739  246.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.3157  184.8974  247.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.5950  185.8858  248.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.2725  187.0777  247.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.6979  187.2657  246.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.4116  186.2652  245.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.6152  188.1501  248.3168 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.1293  188.2071  248.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.3887  187.2834  249.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.9469  187.6735  250.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
  208.2047  185.9788  248.9340 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.6915  185.5626  247.7505 N   0  0  0  0  0  0  0  0  0  0  0  0
  208.8119  184.2940  247.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.3577  183.8394  246.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5918  184.7484  245.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1089  184.2846  244.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.3946  182.9254  243.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1455  182.0204  244.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6292  182.4769  246.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.8862  182.5735  242.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.3181  181.2015  242.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.7855  180.9075  240.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.1011  179.8116  241.5349 S   0  0  0  0  0  0  0  0  0  0  0  0
  212.7025  180.8191  242.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4111  188.8005  249.6809 S   0  0  0  0  0  0  0  0  0  0  0  0
  211.0626  190.1969  249.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
  211.2179  187.8802  250.7854 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.1517  188.7333  249.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9768  187.7828  249.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3290  187.7230  249.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.8481  188.5872  248.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0140  189.5047  247.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6615  189.5745  248.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.7114  185.3516  249.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <CHROM.1>
167.12931396,-88.22370973,76.07836695,150.31362688,101.47074702,162.60947904
-7.24555408,174.34295957,177.01207166,-106.65572036,211.48459788,185.51367059
246.70098897,-1.55193055,0.22181590,0.75249456

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451677/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.62141

>  <SCORE.INTER>
15.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
10

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.44

>  <SCORE.INTRA>
-6.77859

>  <SCORE.INTRA.DIHEDRAL>
-2.53354

>  <SCORE.INTRA.DIHEDRAL.0>
7.99676

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
-0.166559

>  <SCORE.INTRA.REPUL.0>
0.166559

>  <SCORE.INTRA.VDW>
-4.67902

>  <SCORE.INTRA.VDW.0>
-2.79879

>  <SCORE.INTRA.norm>
-0.193674

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.246326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001563

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 25  0  0  0  0  0  0  0  0999 V2000
  189.6614  201.1885  237.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.0213  201.8119  237.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.6061  201.4250  239.2327 C   0  0  1  0  0  0  0  0  0  0  0  0
  192.0694  199.9647  239.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.7540  202.3983  239.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2686  203.8192  239.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.4125  204.7620  240.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8614  206.1582  240.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9760  207.1384  240.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.3997  208.5266  241.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5062  209.5067  241.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.9352  210.8919  241.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0567  211.8552  242.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.5111  213.2513  242.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.6582  214.1862  242.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.1521  215.5927  242.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.3033  216.4881  243.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.5052  216.9739  244.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.0219  216.7767  242.2015 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1138  217.6619  242.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9691  218.0272  241.2314 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.6245  216.7463  240.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4328  217.0353  239.5248 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0404  215.8526  239.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1215  218.6131  240.2226 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.7446  219.9584  240.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <CHROM.1>
71.80443279,68.35192265,179.96653707,179.65649270,179.98629720,179.80659389
179.53479220,-178.66467130,179.67095220,179.67541175,179.68927210,-179.78782298
179.89548698,-111.80839106,178.12665919,179.90350052,-62.38212759,179.88527887
75.84927432,179.90611913,195.27237620,211.11563745,240.84977340,-2.10471464
0.70640858,0.51432029

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451678/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
20.9948

>  <SCORE.INTER>
25.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
20

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.976923

>  <SCORE.INTRA>
-4.40517

>  <SCORE.INTRA.DIHEDRAL>
-3.64126

>  <SCORE.INTRA.DIHEDRAL.0>
7.20351

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.58454

>  <SCORE.INTRA.VDW.0>
3.03586

>  <SCORE.INTRA.norm>
-0.16943

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.807493

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.034186

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 26 28  0  0  0  0  0  0  0  0999 V2000
  179.9381  214.6549  261.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.3370  214.5209  260.9869 C   0  0  1  0  0  0  0  0  0  0  0  0
  181.8567  213.0662  261.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.7058  212.2465  260.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4277  212.6955  262.3307 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.8899  213.6350  263.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.6567  213.0891  264.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.1868  211.7290  265.0137 N   0  0  0  0  0  0  0  0  0  0  0  0
  182.6510  210.8277  263.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.8756  211.3121  262.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.6540  211.6856  265.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.2215  212.2825  266.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0210  213.3616  266.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.6029  213.9531  267.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.4515  215.0593  267.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.0624  215.6137  268.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.8389  215.0595  269.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.0036  213.9514  269.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.3945  213.3984  268.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
  181.2997  214.8971  259.6055 O   0  0  0  0  0  0  0  0  0  0  0  0
  182.4924  214.9092  258.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
  182.3860  214.9647  257.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.5301  214.9155  256.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.7898  214.8278  257.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9035  214.8120  258.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
  183.7581  214.8608  259.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <CHROM.1>
93.55503003,176.36563316,73.48385287,-118.00394206,178.30733000,165.38181354
183.91573606,213.67446472,263.17388945,2.10223327,-0.61395033,-1.20313352

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451679/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.49101

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.438462

>  <SCORE.INTRA>
-4.90899

>  <SCORE.INTRA.DIHEDRAL>
-7.50111

>  <SCORE.INTRA.DIHEDRAL.0>
9.62223

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-1.15844

>  <SCORE.INTRA.VDW.0>
-0.00252439

>  <SCORE.INTRA.norm>
-0.188807

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.249654

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.006623

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 20 20  0  0  0  0  0  0  0  0999 V2000
  219.3637  188.2419  241.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9083  189.6714  241.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.4545  189.7854  241.5179 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7733  190.5259  242.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3405  191.1203  243.4019 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.7371  191.9032  244.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.4513  192.4155  244.2256 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.8904  193.4532  243.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7395  194.4829  242.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2722  195.4881  242.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9422  195.4869  241.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0773  194.5063  242.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5502  193.5198  243.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3610  196.6903  240.6073 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  217.8585  192.3358  245.5411 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.0512  190.6936  241.9845 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.0548  190.9420  240.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6199  192.3248  239.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0068  192.3890  245.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
  216.9890  193.1279  246.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <CHROM.1>
120.49108129,178.50630979,-43.81717862,-74.25284470,178.40987718,-28.41814472
-70.98434720,215.79045561,192.56540031,242.41201722,0.32236367,0.90363205
-2.21276879

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451680/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.36513

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.688889

>  <SCORE.INTRA>
-9.03487

>  <SCORE.INTRA.DIHEDRAL>
-12.5984

>  <SCORE.INTRA.DIHEDRAL.0>
15.7229

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.73567

>  <SCORE.INTRA.VDW.0>
-0.968731

>  <SCORE.INTRA.norm>
-0.501937

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
18

>  <SCORE.norm>
0.186951

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000018

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 23  0  0  0  0  0  0  0  0999 V2000
  200.6494  200.0357  245.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7428  200.7844  246.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8398  200.9753  245.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.9172  201.6390  246.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0585  201.8179  245.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6096  202.5915  243.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
  205.6421  202.7328  242.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0523  203.5189  241.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9243  202.8549  241.2442 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1708  203.6689  240.3300 C   0  0  1  0  0  0  0  0  0  0  0  0
  203.8736  203.6010  238.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.7878  203.2158  240.2417 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0864  203.1243  241.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.8053  202.5650  241.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0177  202.5181  242.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5493  202.9134  243.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8216  203.4634  243.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5451  203.6103  242.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7375  202.7821  245.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6030  202.3960  245.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4373  203.2266  246.1417 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.7044  203.1450  247.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5867  203.6577  248.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
-178.06239595,-179.98791834,59.69392887,-177.58767011,177.85638474,-58.74579657
168.60589873,82.03587950,54.86648373,-173.55928395,-3.13885314,179.16969523
179.71165065,201.70482095,202.62596154,243.74257713,-2.29541800,0.12498453
-1.34233046

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451681/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
11.2161

>  <SCORE.INTER>
18.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
13

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.8

>  <SCORE.INTRA>
-7.18387

>  <SCORE.INTRA.DIHEDRAL>
-4.67409

>  <SCORE.INTRA.DIHEDRAL.0>
7.811

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.84683

>  <SCORE.INTRA.VDW.0>
3.22803

>  <SCORE.INTRA.norm>
-0.312342

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
23

>  <SCORE.norm>
0.487658

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.004801

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 33  0  0  0  0  0  0  0  0999 V2000
  216.3243  179.7675  250.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0010  180.7821  248.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.6129  180.3258  247.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.1934  179.0284  247.5934 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.4449  178.3279  248.6497 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.9130  178.7285  250.3650 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.0629  177.0003  248.1058 C   0  0  2  0  0  0  0  0  0  0  0  0
  215.9775  177.9580  247.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0333  177.8950  246.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.1123  176.1494  247.3313 N   0  0  0  0  0  0  0  0  0  0  0  0
  213.5293  176.6423  246.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.7230  177.7919  245.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.6769  175.6527  245.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5506  174.5817  244.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.5166  173.2230  245.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.5481  172.5199  244.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3245  173.3617  243.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.8016  174.9862  243.7299 S   0  0  0  0  0  0  0  0  0  0  0  0
  215.5733  181.2051  246.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.0556  182.3240  246.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.9835  180.6071  245.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.9944  182.2304  249.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.9931  182.6059  250.4173 N   0  3  0  0  0  0  0  0  0  0  0  0
  215.3257  182.6725  251.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.3517  182.8379  252.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.0187  182.9245  252.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.6870  182.8658  250.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.6938  182.7119  250.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0154  175.1594  247.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.6828  179.7196  245.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  6  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  1  23   1
M  END
>  <CHROM.1>
-62.65877405,11.14095271,60.79633965,-67.77040921,118.82720135,1.78045866
97.07936563,214.77628964,178.69059449,247.68345690,1.49547906,1.15142775
0.73246662

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451746/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.48592

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-5.91408

>  <SCORE.INTRA.DIHEDRAL>
-2.40597

>  <SCORE.INTRA.DIHEDRAL.0>
6.48403

>  <SCORE.INTRA.POLAR>
-1.38797

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.00801044

>  <SCORE.INTRA.VDW.0>
-3.42004

>  <SCORE.INTRA.norm>
-0.211217

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.195926

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.003560

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 37 42  0  0  0  0  0  0  0  0999 V2000
  203.4601  211.6834  248.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1487  213.1648  248.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0573  214.0867  247.9375 N   0  0  0  0  0  0  0  0  0  0  0  0
  204.9357  213.5525  246.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.3333  212.3642  246.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4945  212.1683  244.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9317  211.0488  244.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.2187  210.1154  244.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.0633  210.2939  246.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6128  211.4208  246.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.1446  215.4491  248.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.0285  216.1560  247.7463 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.1585  216.0194  249.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1582  217.3296  249.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0973  217.5163  250.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.4797  216.3001  250.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0721  215.3712  249.7174 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2444  216.1879  251.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.6854  216.3520  250.3387 S   0  0  0  0  0  0  0  0  0  0  0  0
  198.7244  214.9127  249.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.1281  213.7998  249.7011 N   0  0  0  0  0  0  0  0  0  0  0  0
  198.5894  212.8091  248.8871 N   0  0  0  0  0  0  0  0  0  0  0  0
  199.4791  213.3172  248.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5557  214.7049  248.2508 N   0  0  0  0  0  0  0  0  0  0  0  0
  200.2810  215.6824  247.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2559  215.2794  246.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.0441  216.2205  245.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.8863  217.5761  246.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9081  217.9922  247.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0908  217.0528  247.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.2378  212.4567  247.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.0320  212.7019  245.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.0899  212.7047  244.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.8505  212.8906  243.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.5551  213.1057  242.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.4978  213.1651  243.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7367  212.9772  245.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <CHROM.1>
177.25055838,96.08709225,66.72004513,94.98766871,117.02694910,168.48196113
137.71677912,201.48523557,214.31623286,247.44153778,-1.26563666,-0.05165607
0.81345655

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451747/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.47458

>  <SCORE.INTER>
12.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
7

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.335135

>  <SCORE.INTRA>
-6.92542

>  <SCORE.INTRA.DIHEDRAL>
-3.90731

>  <SCORE.INTRA.DIHEDRAL.0>
11.614

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-4.97176

>  <SCORE.INTRA.VDW.0>
-4.81315

>  <SCORE.INTRA.norm>
-0.187173

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
37

>  <SCORE.norm>
0.147962

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000116

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 17 17  0  0  0  0  0  0  0  0999 V2000
  220.2552  194.1418  243.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.9673  192.9645  244.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.7316  191.8459  243.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.8187  190.9784  243.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.7292  189.8093  242.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5254  189.4843  241.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.4016  190.3202  242.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.5287  191.5128  242.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0848  189.9351  241.4582 C   0  0  1  0  0  0  0  0  0  0  0  0
  216.9478  189.6135  242.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3133  188.4989  243.3585 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.6192  190.9862  240.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
  223.0088  191.2690  243.9656 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5471  188.3515  244.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.1112  188.7839  243.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
  218.3386  191.0969  239.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
  222.8503  192.1160  244.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <CHROM.1>
148.25151379,0.19707671,113.80409663,-59.22268230,59.54709651,177.92777462
219.81690774,190.91214211,242.82209856,0.58990553,-0.28654279,0.22627484

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451748/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.56305

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.723077

>  <SCORE.INTRA>
-2.83695

>  <SCORE.INTRA.DIHEDRAL>
-2.45865

>  <SCORE.INTRA.DIHEDRAL.0>
4.64196

>  <SCORE.INTRA.POLAR>
0.35642

>  <SCORE.INTRA.POLAR.0>
-0.704374

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.81945

>  <SCORE.INTRA.VDW.0>
3.05782

>  <SCORE.INTRA.norm>
-0.218227

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
13

>  <SCORE.norm>
0.50485

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.001319

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 30  0  0  0  0  0  0  0  0999 V2000
  197.8167  220.6362  249.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.0846  220.0499  249.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4307  218.9812  249.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.5306  218.5227  250.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.2659  219.1187  250.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.8832  220.1639  250.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.5358  220.7489  250.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.0562  221.7634  249.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
  193.6560  222.2225  249.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.8345  221.7337  250.4202 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.4228  223.2249  248.7743 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.0633  223.6940  248.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
  191.8196  224.4880  250.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.0572  225.6960  250.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.3710  223.7423  251.1184 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.0258  224.2836  252.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.7606  223.4262  253.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4586  223.9443  254.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.4006  225.3255  254.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6300  226.1825  253.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.9289  225.6660  252.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.5586  227.6385  254.0505 N   0  3  0  0  0  0  0  0  0  0  0  0
  190.3036  228.0560  255.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.7515  228.3608  253.0642 O   0  5  0  0  0  0  0  0  0  0  0  0
  190.8349  221.7082  253.2945 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  200.7371  218.3268  249.7302 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.4932  218.7531  248.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
  201.0043  217.3819  250.4864 O   0  5  0  0  0  0  0  0  0  0  0  0
  191.4399  222.7303  251.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  CHG  4  22   1  24  -1  26   1  28  -1
M  END
>  <CHROM.1>
0.77627436,-1.61126878,175.41138386,72.19906643,88.68408161,-171.13997296
194.00459761,222.62467118,251.35260123,-0.03601064,0.71889217,-1.03315880

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451749/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
5.21209

>  <SCORE.INTER>
11.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
6

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.407143

>  <SCORE.INTRA>
-6.18791

>  <SCORE.INTRA.DIHEDRAL>
-9.32988

>  <SCORE.INTRA.DIHEDRAL.0>
11.589

>  <SCORE.INTRA.POLAR>
-0.52114

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
0.24891

>  <SCORE.INTRA.VDW.0>
0.0497941

>  <SCORE.INTRA.norm>
-0.220997

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
28

>  <SCORE.norm>
0.186146

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000051

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 28 31  0  0  0  0  0  0  0  0999 V2000
  202.1007  191.3096  243.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8384  191.3815  244.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.3373  192.5184  245.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9690  192.4326  246.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.9799  191.2778  247.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5321  191.2273  248.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.4094  190.1205  249.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.7509  188.9196  248.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6363  187.9172  249.2807 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.3117  188.9274  247.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.4019  190.0761  246.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.9468  190.1478  245.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6725  187.6672  246.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.6566  187.7955  245.5004 N   0  3  0  0  0  0  0  0  0  0  0  0
  201.9787  188.6118  244.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
  201.6559  186.5891  244.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.4991  186.5976  243.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1766  186.7631  244.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1816  188.0896  245.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3152  188.1707  246.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5068  193.5943  246.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.2039  193.7937  244.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0775  194.0858  243.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.0237  195.3307  242.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.1015  196.2865  243.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2248  195.9983  244.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2755  194.7543  244.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.5626  194.2678  246.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 28  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  1  14   1
M  END
>  <CHROM.1>
-79.20361547,-13.44988591,152.64771609,30.01163867,202.68973689,190.75935830
245.58878013,1.15421975,-0.90036888,-0.58505422

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451750/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.08435

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.323077

>  <SCORE.INTRA>
-4.31565

>  <SCORE.INTRA.DIHEDRAL>
1.24051

>  <SCORE.INTRA.DIHEDRAL.0>
5.74078

>  <SCORE.INTRA.POLAR>
-1.24552

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.701136

>  <SCORE.INTRA.VDW.0>
-2.07669

>  <SCORE.INTRA.norm>
-0.165987

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
26

>  <SCORE.norm>
0.15709

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000650

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 35 38  0  0  0  0  0  0  0  0999 V2000
  214.5424  199.4148  246.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.6567  198.2865  247.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2460  197.0944  246.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.4053  195.9930  247.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.0529  196.0202  248.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.1956  194.6105  246.4698 C   0  0  2  0  0  0  0  0  0  0  0  0
  214.7758  194.1976  246.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.2150  192.8695  245.7294 C   0  0  2  0  0  0  0  0  0  0  0  0
  216.3554  192.7814  247.1259 C   0  0  1  0  0  0  0  0  0  0  0  0
  217.3156  191.1231  246.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.0028  189.9022  246.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7851  188.6529  246.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.8388  188.5587  247.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1631  189.6798  247.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.5146  190.8985  247.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3560  192.0119  248.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.9036  193.1829  247.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5575  193.4249  247.9484 N   0  0  0  0  0  0  0  0  0  0  0  0
  217.5391  194.7296  248.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.7960  195.2461  249.3694 O   0  0  0  0  0  0  0  0  0  0  0  0
  217.4023  195.3953  246.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.2058  196.1769  246.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.7367  187.5687  247.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
  220.2546  186.7306  246.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.5678  187.4508  245.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
  216.5857  187.2560  244.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.9906  192.8542  244.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.3144  192.6882  244.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8904  192.5487  243.1351 O   0  0  0  0  0  0  0  0  0  0  0  0
  219.3008  192.3651  243.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.0797  191.9239  245.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
  213.0811  191.6301  247.1177 Si  0  0  0  0  0  0  0  0  0  0  0  0
  211.8732  193.0168  247.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.0566  190.0551  246.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.9474  191.2702  248.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  1  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  6  0  0  0
  8 31  1  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  6  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <CHROM.1>
179.96351785,0.42854038,-94.35499806,102.37869859,-50.02255399,5.75353958
35.36129479,-179.56098666,72.30804092,216.51479025,192.48701009,246.68370315
-1.94050474,-0.05037854,-3.05688185

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451751/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.3814

>  <SCORE.INTER>
14.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
9

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.411429

>  <SCORE.INTRA>
-8.0186

>  <SCORE.INTRA.DIHEDRAL>
-11.2922

>  <SCORE.INTRA.DIHEDRAL.0>
15.3934

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.37249

>  <SCORE.INTRA.VDW.0>
0.38573

>  <SCORE.INTRA.norm>
-0.229103

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
35

>  <SCORE.norm>
0.182326

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000090

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 27 28  0  0  0  0  0  0  0  0999 V2000
  190.3113  222.3021  263.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.6238  221.0557  263.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.4977  220.1665  263.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.6899  219.0006  262.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
  188.2423  220.7036  263.0654 N   0  0  0  0  0  0  0  0  0  0  0  0
  187.9431  221.9711  263.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7928  222.3817  263.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.0215  222.7448  263.8142 N   0  0  0  0  0  0  0  0  0  0  0  0
  191.9929  220.4394  263.4216 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.1203  221.2233  264.1137 C   0  0  2  0  0  0  0  0  0  0  0  0
  194.1597  220.1193  264.3246 C   0  0  1  0  0  0  0  0  0  0  0  0
  193.2756  218.9189  264.6932 C   0  0  1  0  0  0  0  0  0  0  0  0
  191.9691  219.1591  264.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
  193.7666  217.5509  264.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.9653  216.4654  264.7191 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.4743  216.2383  263.8717 P   0  0  0  0  0  0  0  0  0  0  0  0
  191.3750  214.7633  264.2523 O   0  0  0  0  0  0  0  0  0  0  0  0
  190.6411  217.1190  264.9585 O   0  0  0  0  0  0  0  0  0  0  0  0
  189.9832  216.0111  263.0245 O   0  0  0  0  0  0  0  0  0  0  0  0
  194.9374  219.9139  263.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
  192.7112  221.7559  265.3776 O   0  0  0  0  0  0  0  0  0  0  0  0
  187.4667  220.1085  262.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
  188.8024  223.6833  264.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
  190.8368  218.0683  264.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
  189.8134  216.9141  262.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
  195.4184  220.7283  262.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
  193.4582  222.2489  265.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 23  1  0  0  0  0
  9  2  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  1  0  0  0
 11 12  1  0  0  0  0
 11 20  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <CHROM.1>
8.73877965,-179.28720009,61.33417025,174.44393546,77.57998900,155.68538181
73.07432449,132.91608787,191.19444664,219.26515855,263.87329931,-2.15808718
0.15982802,-3.14091534

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451752/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
-0.141034

>  <SCORE.INTER>
9.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
4

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.447619

>  <SCORE.INTRA>
-9.54103

>  <SCORE.INTRA.DIHEDRAL>
-1.67871

>  <SCORE.INTRA.DIHEDRAL.0>
6.89781

>  <SCORE.INTRA.POLAR>
-1.82355

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.50162

>  <SCORE.INTRA.VDW.0>
-0.237374

>  <SCORE.INTRA.norm>
-0.454335

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
21

>  <SCORE.norm>
-0.00671589

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000403

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  6  5  0  0  0  0  0  0  0  0999 V2000
  213.4746  183.7187  240.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
  214.2603  183.1963  239.4551 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.9941  185.1354  239.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
  213.3996  185.5580  238.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
  212.2080  185.6608  240.8086 O   0  5  0  0  0  0  0  0  0  0  0  0
  213.0678  183.2977  241.4464 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  2   5  -1   6  -1
M  END
>  <CHROM.1>
3.15478825,213.23402513,184.42788868,240.13260971,-1.00040028,0.91477033
-0.73201240

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451754/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
6.38771

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
1.06667

>  <SCORE.INTRA>
-0.0122945

>  <SCORE.INTRA.DIHEDRAL>
-0.0225983

>  <SCORE.INTRA.DIHEDRAL.0>
0.0397861

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000995391

>  <SCORE.INTRA.VDW.0>
0.197786

>  <SCORE.INTRA.norm>
-0.00204909

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
6

>  <SCORE.norm>
1.06462

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.063464

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 30 32  0  0  0  0  0  0  0  0999 V2000
  216.6916  187.0481  249.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.9549  186.2656  250.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.1230  187.0693  250.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.3911  186.5091  250.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
  220.5122  185.1509  250.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
  219.3725  184.3480  250.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
  218.0507  184.8669  250.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.9913  183.9044  249.6954 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.9093  182.4872  249.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
  217.8807  181.7464  249.3036 O   0  0  0  0  0  0  0  0  0  0  0  0
  215.3911  181.8450  249.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.5151  181.0348  248.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.3722  181.7179  246.8531 N   0  0  0  0  0  0  0  0  0  0  0  0
  215.2875  183.1189  246.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
  215.7974  183.7970  245.9196 O   0  0  0  0  0  0  0  0  0  0  0  0
  214.6045  183.6708  247.8493 N   0  0  0  0  0  0  0  0  0  0  0  0
  214.1139  182.7831  248.8531 C   0  0  2  0  0  0  0  0  0  0  0  0
  212.6260  183.1711  249.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
  212.5057  184.1518  250.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.3003  184.4807  250.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1425  183.8403  250.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.1789  182.9389  249.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.4087  182.6213  248.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.8675  184.0740  251.3566 N   0  3  0  0  0  0  0  0  0  0  0  0
  208.9202  184.7845  252.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
  207.8412  183.5253  250.9393 O   0  5  0  0  0  0  0  0  0  0  0  0
  216.0856  179.6461  248.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.1113  184.3947  249.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
  215.4606  181.2433  245.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
  214.5562  184.6718  247.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  1  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
>  <CHROM.1>
175.39980852,134.69291960,85.24741721,214.74069149,183.71533196,249.46231886
0.01335704,0.16226420,0.64173920

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451771/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
4.30851

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.311111

>  <SCORE.INTRA>
-4.09149

>  <SCORE.INTRA.DIHEDRAL>
-3.70919

>  <SCORE.INTRA.DIHEDRAL.0>
7.60435

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-2.2369

>  <SCORE.INTRA.VDW.0>
-0.0901051

>  <SCORE.INTRA.norm>
-0.151537

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.159574

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000026

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 29 32  0  0  0  0  0  0  0  0999 V2000
  199.2585  192.9682  242.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9156  192.4662  241.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.9461  193.2729  240.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.6399  192.8629  239.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.3575  191.6596  239.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.2705  190.8253  240.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.5530  191.2230  241.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.2359  191.3284  238.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.8026  192.3203  237.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
  203.6589  191.6978  236.0288 S   0  0  0  0  0  0  0  0  0  0  0  0
  203.4314  190.1012  236.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
  202.5829  189.9982  237.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.9712  188.7534  238.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.9402  188.7241  238.7742 O   0  0  0  0  0  0  0  0  0  0  0  0
  202.6346  187.6061  237.8305 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.0895  189.1832  235.7713 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.4690  189.2318  235.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0587  190.0075  234.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.1500  188.2351  236.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.4956  187.9626  236.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.5881  186.8100  237.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6272  185.9910  237.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.2967  184.8781  238.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.9692  184.6007  239.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9237  185.4157  238.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2788  186.4872  237.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.4090  187.3508  237.1879 O   0  0  0  0  0  0  0  0  0  0  0  0
  203.4686  187.7576  237.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
  203.6187  188.8922  234.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <CHROM.1>
25.96561853,61.72015545,14.83655087,-0.01271795,-81.24551204,179.72502833
203.73341971,189.43149058,238.08918558,2.98054808,0.75580359,-0.86261916

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451772/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
2.11829

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.385185

>  <SCORE.INTRA>
-8.28171

>  <SCORE.INTRA.DIHEDRAL>
-6.70694

>  <SCORE.INTRA.DIHEDRAL.0>
12.2658

>  <SCORE.INTRA.POLAR>
-1.25851

>  <SCORE.INTRA.POLAR.0>
-0.351998

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.649302

>  <SCORE.INTRA.VDW.0>
-1.9621

>  <SCORE.INTRA.norm>
-0.30673

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
27

>  <SCORE.norm>
0.0784551

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000170

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 14 14  0  0  0  0  0  0  0  0999 V2000
  198.1462  213.2879  241.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.0980  213.0407  243.4009 C   0  0  2  0  0  0  0  0  0  0  0  0
  197.5007  214.2676  244.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.6969  214.2655  245.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.1440  213.9819  246.0848 C   0  0  1  0  0  0  0  0  0  0  0  0
  199.5749  212.6477  245.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.4925  212.6552  243.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.1523  215.1689  245.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6679  216.4479  246.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
  201.5454  214.8287  246.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
  200.3397  215.4720  244.5061 O   0  0  0  0  0  0  0  0  0  0  0  0
  197.2114  211.9398  243.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
  199.4926  215.7764  244.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
  197.1773  211.7884  244.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <CHROM.1>
-179.62646135,56.02722238,63.65524764,199.04350899,214.00369351,244.77261239
2.19365063,0.37571833,-2.56553869

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451773/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
3.90694

>  <SCORE.INTER>
6.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
1

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.533333

>  <SCORE.INTRA>
-2.49306

>  <SCORE.INTRA.DIHEDRAL>
-3.25421

>  <SCORE.INTRA.DIHEDRAL.0>
3.48103

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.865957

>  <SCORE.INTRA.VDW.0>
2.71516

>  <SCORE.INTRA.norm>
-0.207755

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.325578

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.000575

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  212.1985  204.8691  252.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
  211.1982  205.9364  252.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.4034  205.5933  251.1971 N   0  0  0  0  0  0  0  0  0  0  0  0
  209.3127  204.6414  251.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.9879  203.6655  250.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.9451  206.8326  250.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5132  206.6402  249.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.1710  206.4156  248.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.7041  206.0100  246.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.2710  206.3942  246.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.6984  207.6571  246.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.3716  207.7583  245.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
  204.6358  206.6113  245.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.2128  205.3409  245.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.5304  205.2397  246.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.3826  204.0759  246.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
  207.1081  202.7332  245.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1307  201.8044  246.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.4097  202.2204  246.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.6915  203.5738  246.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.6716  204.4935  246.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
  209.5565  206.5683  245.6951 O   0  0  0  0  0  0  0  0  0  0  0  0
  209.2204  206.2436  244.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <CHROM.1>
76.89543110,-146.34169236,162.13282803,2.83205330,90.35071434,178.07726372
208.48899468,205.23253303,247.90481225,-0.34298022,0.89959328,-2.67192876

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451774/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.17143

>  <SCORE.INTER>
10.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
5

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.472727

>  <SCORE.INTRA>
-3.22857

>  <SCORE.INTRA.DIHEDRAL>
1.47081

>  <SCORE.INTRA.DIHEDRAL.0>
0.842789

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-3.96398

>  <SCORE.INTRA.VDW.0>
2.52078

>  <SCORE.INTRA.norm>
-0.146753

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
22

>  <SCORE.norm>
0.325974

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.005507

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  207.0276  220.4348  248.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.8525  219.8818  250.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.3692  220.6642  251.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.0402  222.0087  250.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.2153  222.5459  249.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
  206.7138  221.7723  248.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
  205.9108  223.8465  249.3823 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2447  220.0566  252.5613 C   0  0  1  0  0  0  0  0  0  0  0  0
  207.0012  220.8411  253.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
  208.1571  221.2317  253.5323 O   0  0  0  0  0  0  0  0  0  0  0  0
  206.2854  221.1232  254.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
  204.8245  219.8930  252.9403 N   0  0  0  0  0  0  0  0  0  0  0  0
  205.5797  224.2690  250.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
  205.3673  220.7859  254.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3680  219.3139  252.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
  204.3767  220.8060  252.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  1  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <CHROM.1>
124.53989066,0.01427593,-46.92247519,57.20704525,0.79536594,206.43889246
221.23040394,251.44727841,-1.84610415,-1.51195065,1.59433274

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451775/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
7.3605

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.7

>  <SCORE.INTRA>
-1.0395

>  <SCORE.INTRA.DIHEDRAL>
-0.161255

>  <SCORE.INTRA.DIHEDRAL.0>
2.02103

>  <SCORE.INTRA.POLAR>
-0.270052

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.0406982

>  <SCORE.INTRA.VDW.0>
-0.705338

>  <SCORE.INTRA.norm>
-0.0866252

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
12

>  <SCORE.norm>
0.613375

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.002185

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
  9  8  0  0  0  0  0  0  0  0999 V2000
  195.8342  217.3592  264.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
  196.9230  217.9027  263.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
  197.1092  216.6348  261.8246 Pb  0  0  0  0  0  0  0  0  0  0  0  0
  197.6324  214.5799  262.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.9474  214.5820  263.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
  195.2009  216.6242  260.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
  194.8333  218.0395  260.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
  198.7000  217.4572  260.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
  199.6036  217.9244  259.7674 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <CHROM.1>
-60.14492967,-59.55762688,59.42873966,197.12874170,216.69064171,261.86129290
0.80954705,-0.40441799,2.04820515

>  <Name>


>  <RI>
0

>  <Rbt.Current_Directory>
/data/dnb03/galaxy_db/job_working_directory/014/451/14451776/working

>  <Rbt.Executable>
rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $)

>  <Rbt.Library>
libRbt.so (2013.1, Build901 2013/11/27)

>  <Rbt.Parameter_File>
/usr/local/tools/_conda/envs/__rdock@2013.1-0/share/rdock-2013.1-1/data/scripts/dock.prm

>  <Rbt.Receptor>
receptor.prm

>  <SCORE>
8.39872

>  <SCORE.INTER>
8.4

>  <SCORE.INTER.CONST>
1

>  <SCORE.INTER.POLAR>
0

>  <SCORE.INTER.REPUL>
0

>  <SCORE.INTER.ROT>
3

>  <SCORE.INTER.VDW>
0

>  <SCORE.INTER.norm>
0.933333

>  <SCORE.INTRA>
-0.00127802

>  <SCORE.INTRA.DIHEDRAL>
-0.00223826

>  <SCORE.INTRA.DIHEDRAL.0>
0.00288407

>  <SCORE.INTRA.POLAR>
0

>  <SCORE.INTRA.POLAR.0>
0

>  <SCORE.INTRA.REPUL>
0

>  <SCORE.INTRA.REPUL.0>
0

>  <SCORE.INTRA.VDW>
-0.000158894

>  <SCORE.INTRA.VDW.0>
-0.985329

>  <SCORE.INTRA.norm>
-0.000142003

>  <SCORE.RESTR>


>  <SCORE.RESTR.norm>
0

>  <SCORE.SYSTEM>
0

>  <SCORE.SYSTEM.CONST>
0

>  <SCORE.SYSTEM.DIHEDRAL>
0

>  <SCORE.SYSTEM.norm>
0

>  <SCORE.heavy>
9

>  <SCORE.norm>
0.933191

>  <TransFSReceptor>
receptor

>  <TransFSScore>
0.026106

$$$$

 OpenBabel01192115203D
libRbt.so/2013.1/901 2013/11/27
 23 25  0  0  0  0  0  0  0  0999 V2000
  193.4304  215.9138  260.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2551  215.7585  259.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
  192.2965  215.0694  258.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
  191.1454  216.4535  259.5641 N   0  0  0  0  0  0  0  0  0  0  0  0
  189.8999  216.4549  258.8118 C   0  0  2  0  0  0  0  0  0  0  0  0
  189.6593  217.8171  258.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
  189.2223  218.8624  259.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.9112  218.4663  259.8796 C   0  0  2  0  0  0  0  0  0  0  0  0
  187.8983  217.0057  260.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.9365  216.5812  261.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.8319  215.2378  261.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
  187.6851  214.2990  261.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.6559  214.7051  260.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
  188.7776  216.0568  259.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.7018  218.8527  259.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.0157  220.0495  259.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.9365  220.4550  258.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  184.5331  219.6689  257.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
  185.1993  218.4737  257.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  186.2719  218.0693  257.9409 C   0  0  0  0  0  